WorldWideScience

Sample records for bioaerosol mass spectrometry

  1. Aerosol MALDI mass spectrometry for bioaerosol analysis

    OpenAIRE

    Kleefsman, W.A.

    2008-01-01

    In the thesis Aerosol MALDI mass spectrometry for bioaerosol analysis is described how the aerosol mass spectrometer of the TU Delft has been further developed for the on-line analysis of bioaerosols. Due to the implemented improvements mass spectra with high resolution and a high mass range can be obtained from single protein containing aerosol particles. Fluorescence is used to select the biological fraction of an aerosol: when a particle emits fluorescence when irradiated with UV-laser lig...

  2. Following the Biochemical and Morphological Changes of Bacillus atrophaeus during Sporulation using Bioaerosol Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Tobias, H J; Pitesky, M E; Fergenson, D P; Horn, J; Frank, M; Gard, E E

    2006-05-03

    The overall objective of this report is to develop a real-time single-particle mass spectrometry technique called Bio-Aerosol Mass Spectrometry (BAMS) in order to efficiently screen and identify bioaerosols and single cells of national security and public health concern.

  3. Bio-Aerosol Detection Using Mass Spectrometry: Public Health Applications

    Energy Technology Data Exchange (ETDEWEB)

    Ludvigson, L D

    2004-03-05

    I recently spent a summer as an intern at the Lawrence Livermore National Laboratory. I worked on a project involving the real-time, reagentless, single cell detection of aerosolized pathogens using a novel mass spectrometry approach called Bio-Aerosol Mass Spectrometry (BAMS). Based upon preliminary results showing the differentiation capabilities of BAMS, I would like to explore the development and use of this novel detection system in the context of both environmental and clinical sample pathogen detection. I would also like to explore the broader public health applications that a system such as BAMS might have in terms of infectious disease prevention and control. In order to appreciate the potential of this instrument, I will demonstrate the need for better pathogen detection methods, and outline the instrumentation, data analysis and preliminary results that lead me toward a desire to explore this technology further. I will also discuss potential experiments for the future along with possible problems that may be encountered along the way.

  4. Bioaerosol Mass Spectrometry for Rapid Detection of Individual Airborne Mycobacterium tuberculosis H37Ra Particles

    OpenAIRE

    Tobias, Herbert J.; Schafer, Millie P.; Pitesky, Maurice; Fergenson, David P.; Horn, Joanne; Frank, Matthias; Gard, Eric E.

    2005-01-01

    Single-particle laser desorption/ionization time-of-flight mass spectrometry, in the form of bioaerosol mass spectrometry (BAMS), was evaluated as a rapid detector for individual airborne, micron-sized, Mycobacterium tuberculosis H37Ra particles, comprised of a single cell or a small number of clumped cells. The BAMS mass spectral signatures for aerosolized M. tuberculosis H37Ra particles were found to be distinct from M. smegmatis, Bacillus atrophaeus, and B. cereus particles, using a distin...

  5. Characterization of ambient aerosols at the San Francisco International Airport using BioAerosol Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Steele, P T; McJimpsey, E L; Coffee, K R; Fergenson, D P; Riot, V J; Tobias, H J; Woods, B W; Gard, E E; Frank, M

    2006-03-16

    The BioAerosol Mass Spectrometry (BAMS) system is a rapidly fieldable, fully autonomous instrument that can perform correlated measurements of multiple orthogonal properties of individual aerosol particles. The BAMS front end uses optical techniques to nondestructively measure a particle's aerodynamic diameter and fluorescence properties. Fluorescence can be excited at 266nm or 355nm and is detected in two broad wavelength bands. Individual particles with appropriate size and fluorescence properties can then be analyzed more thoroughly in a dual-polarity time-of-flight mass spectrometer. Over the course of two deployments to the San Francisco International Airport, more than 6.5 million individual aerosol particles were fully analyzed by the system. Analysis of the resulting data has provided a number of important insights relevant to rapid bioaerosol detection, which are described here.

  6. Detection of biological particles in ambient air using Bio-Aerosol Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    McJimpsey, E L; Steele, P T; Coffee, K R; Fergenson, D P; Riot, V J; Woods, B W; Gard, E E; Frank, M; Tobias, H J; Lebrilla, C

    2006-03-16

    The Bio-Aerosol Mass Spectrometry (BAMS) system is an instrument used for the real time detection and identification of biological aerosols. Particles are drawn from the atmosphere directly into vacuum and tracked as they scatter light from several continuous wave lasers. After tracking, the fluorescence of individual particles is excited by a pulsed 266nm or 355nm laser. Molecules from those particles with appropriate fluorescence properties are subsequently desorbed and ionized using a pulsed 266nm laser. Resulting ions are analyzed in a dual polarity mass spectrometer. During two field deployments at the San Francisco International Airport, millions of ambient particles were analyzed and a small but significant fraction were found to have fluorescent properties similar to Bacillus spores and vegetative cells. Further separation of non-biological background particles from potential biological particles was accomplished using laser desorption/ionization mass spectrometry. This has been shown to enable some level of species differentiation in specific cases, but the creation and observation of higher mass ions is needed to enable a higher level of specificity across more species. A soft ionization technique, matrix-assisted laser desorption/ionization (MALDI) is being investigated for this purpose. MALDI is particularly well suited for mass analysis of biomolecules since it allows for the generation of molecular ions from large mass compounds that would fragment under normal irradiation. Some of the initial results from a modified BAMS system utilizing this technique are described.

  7. Detection of biological particles in ambient air using Bio-Aerosol Mass Spectrometry

    International Nuclear Information System (INIS)

    The Bio-Aerosol Mass Spectrometry (BAMS) system is an instrument used for the real time detection and identification of biological aerosols. Particles are drawn from the atmosphere directly into vacuum and tracked as they scatter light from several continuous wave lasers. After tracking, the fluorescence of individual particles is excited by a pulsed 266nm or 355nm laser. Molecules from those particles with appropriate fluorescence properties are subsequently desorbed and ionized using a pulsed 266nm laser. Resulting ions are analyzed in a dual polarity mass spectrometer. During two field deployments at the San Francisco International Airport, millions of ambient particles were analyzed and a small but significant fraction were found to have fluorescent properties similar to Bacillus spores and vegetative cells. Further separation of non-biological background particles from potential biological particles was accomplished using laser desorption/ionization mass spectrometry. This has been shown to enable some level of species differentiation in specific cases, but the creation and observation of higher mass ions is needed to enable a higher level of specificity across more species. A soft ionization technique, matrix-assisted laser desorption/ionization (MALDI) is being investigated for this purpose. MALDI is particularly well suited for mass analysis of biomolecules since it allows for the generation of molecular ions from large mass compounds that would fragment under normal irradiation. Some of the initial results from a modified BAMS system utilizing this technique are described

  8. Desorption/Ionization Fluence Thresholds and Improved Mass Spectral Consistency Measured Using a Flattop Laser Profile in the Bioaerosol Mass Spectrometry of Single Bacillus Endospores

    Energy Technology Data Exchange (ETDEWEB)

    Steele, P T; Srivastava, A; Pitesky, M E; Fergenson, D P; Tobias, H J; Gard, E E; Frank, M

    2004-11-30

    Bioaerosol mass spectrometry (BAMS) is being developed to analyze and identify biological aerosols in real-time. Mass spectra of individual Bacillus endospores were measured here with a bipolar aerosol time-of-flight mass spectrometer in which molecular desorption and ionization were produced using a single laser pulse from a Q-switched, frequency-quadrupled Nd:YAG laser that was modified to have an approximately flattop profile. The flattened laser profile allowed the minimum fluence required to desorb and ionize significant numbers of ions from single aerosol particles to be determined. For Bacillus spores this threshold had a mean value of approximately 1 nJ/{micro}m{sup 2} (0.1 J/cm{sup 2}). Thresholds for individual spores, however, could apparently deviate by 20% or more from the mean. Threshold distributions for clumps of MS2 bacteriophage and bovine serum albumin were subsequently determined. Finally, the flattened profile was observed to increase the reproducibility of single spore mass spectra. This is consistent with the general conclusions of our earlier paper on the fluence dependence of single spore mass spectra and is particularly significant because it is expected to enable more robust differentiation and identification of single bioaerosol particles.

  9. BioAerosol Mass Spectrometry: Reagentless Detection of Individual Airborne Spores and Other Bioagent Particles Based on Laser Desorption/Ionization Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Steele, P T

    2004-07-20

    Better devices are needed for the detection of aerosolized biological warfare agents. Advances in the ongoing development of one such device, the BioAerosol Mass Spectrometry (BAMS) system, are described here in detail. The system samples individual, micrometer-sized particles directly from the air and analyzes them in real-time without sample preparation or use of reagents. At the core of the BAMS system is a dual-polarity, single-particle mass spectrometer with a laser based desorption and ionization (DI) system. The mass spectra produced by early proof-of-concept instruments were highly variable and contained limited information to differentiate certain types of similar biological particles. The investigation of this variability and subsequent changes to the DI laser system are described. The modifications have reduced the observed variability and thereby increased the usable information content in the spectra. These improvements would have little value without software to analyze and identify the mass spectra. Important improvements have been made to the algorithms that initially processed and analyzed the data. Single particles can be identified with an impressive level of accuracy, but to obtain significant reductions in the overall false alarm rate of the BAMS instrument, alarm decisions must be made dynamically on the basis of multiple analyzed particles. A statistical model has been developed to make these decisions and the resulting performance of a hypothetical BAMS system is quantitatively predicted. The predictions indicate that a BAMS system, with reasonably attainable characteristics, can operate with a very low false alarm rate (orders of magnitude lower than some currently fielded biodetectors) while still being sensitive to small concentrations of biological particles in a large range of environments. Proof-of-concept instruments, incorporating some of the modifications described here, have already performed well in independent testing.

  10. Bioaerosol detection by aerosol TOF-mass spectrometry: Application of matrix assisted laser desorption/ionisation

    NARCIS (Netherlands)

    Wuijckhuijse, A.L. van; Stowers, M.A.; Kientz, Ch.E.; Marijnissen, J.C.M.; Scarlett, B.

    2000-01-01

    In previous publications the use of an aerosol time of flight mass spectrometer was reported for the on-line measurements of aerosols (Weiss 1997, Kievit 1995). The apparatus is capable of measuring the size as well as the chemical composition, by the use of Laser Desorption/Ionisation (LDI), of an

  11. Comprehensive assignment of mass spectral signatures from individual Bacillus atrophaeus spores in matrix-free laser desorption/ionization bioaerosol mass spectrometry.

    Science.gov (United States)

    Srivastava, Abneesh; Pitesky, Maurice E; Steele, Paul T; Tobias, Herbert J; Fergenson, David P; Horn, Joanne M; Russell, Scott C; Czerwieniec, Gregg A; Lebrilla, Carlito B; Gard, Eric E; Frank, Matthias

    2005-05-15

    We have fully characterized the mass spectral signatures of individual Bacillus atrophaeus spores obtained using matrix-free laser desorption/ionization bioaerosol mass spectrometry (BAMS). Mass spectra of spores grown in unlabeled, 13C-labeled, and 15N-labeled growth media were used to determine the number of carbon and nitrogen atoms associated with each mass peak observed in mass spectra from positive and negative ions. To determine the parent ion structure associated with fragment ion peaks, the fragmentation patterns of several chemical standards were independently determined. Our results confirm prior assignments of dipicolinic acid, amino acids, and calcium complex ions made in the spore mass spectra. The identities of several previously unidentified mass peaks, key to the recognition of Bacillus spores by BAMS, have also been revealed. Specifically, a set of fragment peaks in the negative polarity is shown to be consistent with the fragmentation pattern of purine nucleobase-containing compounds. The identity of m/z = +74, a marker peak that helps discriminate B. atrophaeus from Bacillus thuringiensis spores grown in rich media is [N1C4H12]+. A probable precursor molecule for the [N1C4H12]+ ion observed in spore spectra is trimethylglycine (+N(CH3)3CH2COOH), which produces a m/z = +74 peak when ionized in the presence of dipicolinic acid. A clear assignment of all the mass peaks in the spectra from bacterial spores, as presented in this work, establishes their relationship to the spore chemical composition and facilitates the evaluation of the robustness of "marker" peaks. This is especially relevant for peaks that have been used to discriminate Bacillus spore species, B. thuringiensis and B. atrophaeus, in our previous studies. PMID:15889924

  12. Mass spectrometry.

    Science.gov (United States)

    Burlingame, A. L.; Johanson, G. A.

    1972-01-01

    Review of the current state of mass spectrometry, indicating its unique importance for advanced scientific research. Mass spectrometry applications in computer techniques, gas chromatography, ion cyclotron resonance, molecular fragmentation and ionization, and isotope labeling are covered. Details are given on mass spectrometry applications in bio-organic chemistry and biomedical research. As the subjects of these applications are indicated alkaloids, carbohydrates, lipids, terpenes, quinones, nucleic acid components, peptides, antibiotics, and human and animal metabolisms. Particular attention is given to the mass spectra of organo-inorganic compounds, inorganic mass spectrometry, surface phenomena such as secondary ion and electron emission, and elemental and isotope analysis. Further topics include mass spectrometry in organic geochemistry, applications in geochronology and cosmochemistry, and organic mass spectrometry.

  13. Mass spectrometry

    DEFF Research Database (Denmark)

    Nyvang Hartmeyer, Gitte; Jensen, Anne Kvistholm; Böcher, Sidsel;

    2010-01-01

    Matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF MS) is currently being introduced for the rapid and accurate identification of bacteria. We describe 2 MALDI-TOF MS identification cases - 1 directly on spinal fluid and 1 on grown bacteria. Rapidly obtained...

  14. Microorganism characterization by single particle mass spectrometry.

    Science.gov (United States)

    Russell, Scott C

    2009-01-01

    In recent years a major effort by several groups has been undertaken to identify bacteria by mass spectrometry at the single cell level. The intent of this review is to highlight the recent progress made in the application of single particle mass spectrometry to the analysis of microorganisms. A large portion of the review highlights improvements in the ionization and mass analysis of bio-aerosols, or particles that contain biologically relevant molecules such as peptides or proteins. While these are not direct applications to bacteria, the results have been central to a progression toward single cell mass spectrometry. Developments in single particle matrix-assisted laser desorption/ionization (MALDI) are summarized. Recent applications of aerosol laser desorption/ionization (LDI) to the analysis of single microorganisms are highlighted. Successful applications of off-line and on-the-fly aerosol MALDI to microorganism detection are discussed. Limitations to current approaches and necessary future achievements are also addressed. PMID:18949817

  15. The contribution of bioaerosols to the organic carbon mass of the atmosphere

    Science.gov (United States)

    Myriokefalitakis, Stelios; Fanourgakis, George; Kanakidou, Maria

    2016-04-01

    The atmospheric cycle of Primary Biogenic Aerosol Particles (PBAPs) is here parameterized in a state-of-the-art global 3-D chemistry-transport model (TM4-ECPL) by taking into account their primary emissions as well as their chemical aging during the long-range transport in the atmosphere. PBAPs, commonly known also as bioaerosols, are airborne particles that can carry micro-organisms and they dominate the aerosol mass over remote forest regions. Bioaerosols include mainly bacteria, fungi spores and pollen, as well as viruses, other microorganisms, or even leaf debris. For the present study, we explicitly account for emissions of bacteria, fungi spores and pollen to the atmosphere, using different ecosystems to parameterize their respective flux rates as well as meteorological parameters to account for their seasonal variation. Changes in the solubility of bioaerosols via atmospheric oxidation during their atmospheric cycle as parameterized in the model affect their physical properties and substantially their atmospheric lifetime. Model results are compared with available observations to constrain the PBAPs contribution to the aerosol organic mass. Uncertainties are further discussed based on model simulations. This work has been supported by the European FP7 collaborative project BACCHUS (Impact of Biogenic versus Anthropogenic emissions on Clouds and Climate: towards a Holistic UnderStanding).

  16. Mass Spectrometry for the Masses

    Science.gov (United States)

    Persinger, Jared D.; Hoops, Geoffrey, C.; Samide, Michael J.

    2004-01-01

    A simple, qualitative experiment is developed for implementation, where the gas chromatography-mass spectrometry (GC-MS) plays an important role, into the laboratory curriculum of a chemistry course designed for nonscience majors. This laboratory experiment is well suited for the students as it helps them to determine the validity of their…

  17. Forensic Mass Spectrometry

    Science.gov (United States)

    Hoffmann, William D.; Jackson, Glen P.

    2015-07-01

    Developments in forensic mass spectrometry tend to follow, rather than lead, the developments in other disciplines. Examples of techniques having forensic potential born independently of forensic applications include ambient ionization, imaging mass spectrometry, isotope ratio mass spectrometry, portable mass spectrometers, and hyphenated chromatography-mass spectrometry instruments, to name a few. Forensic science has the potential to benefit enormously from developments that are funded by other means, if only the infrastructure and personnel existed to adopt, validate, and implement the new technologies into casework. Perhaps one unique area in which forensic science is at the cutting edge is in the area of chemometrics and the determination of likelihood ratios for the evaluation of the weight of evidence. Such statistical techniques have been developed most extensively for ignitable-liquid residue analyses and isotope ratio analysis. This review attempts to capture the trends, motivating forces, and likely impact of developing areas of forensic mass spectrometry, with the caveat that none of this research is likely to have any real impact in the forensic community unless: (a) The instruments developed are turned into robust black boxes with red and green lights for positives and negatives, respectively, or (b) there are PhD graduates in the workforce who can help adopt these sophisticated techniques.

  18. Mass spectrometry in oceanography

    International Nuclear Information System (INIS)

    Mass spectrometry plays an important role in oceanography for various applications. Different types of inorganic as well as organic mass spectrometric techniques are being exploited world-wide to understand the different aspects of marine science, for palaeogeography, palaeoclimatology and palaeoecology, for isotopic composition and concentrations of different elements as well as for speciation studies. The present paper reviews some of the applications of atomic mass spectrometric techniques in the area of oceanography

  19. Analytical mass spectrometry. Abstracts

    Energy Technology Data Exchange (ETDEWEB)

    1990-12-31

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

  20. Analytical mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    1990-01-01

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

  1. "Magic" Ionization Mass Spectrometry

    Science.gov (United States)

    Trimpin, Sarah

    2016-01-01

    The systematic study of the temperature and pressure dependence of matrix-assisted ionization (MAI) led us to the discovery of the seemingly impossible, initially explained by some reviewers as either sleight of hand or the misinterpretation by an overzealous young scientist of results reported many years before and having little utility. The "magic" that we were attempting to report was that with matrix assistance, molecules, at least as large as bovine serum albumin (66 kDa), are lifted into the gas phase as multiply charged ions simply by exposure of the matrix:analyte sample to the vacuum of a mass spectrometer. Applied heat, a laser, or voltages are not necessary to achieve charge states and ion abundances only previously observed with electrospray ionization (ESI). The fundamentals of how solid phase volatile or nonvolatile compounds are converted to gas-phase ions without added energy currently involves speculation providing a great opportunity to rethink mechanistic understanding of ionization processes used in mass spectrometry. Improved understanding of the mechanism(s) of these processes and their connection to ESI and matrix-assisted laser desorption/ionization may provide opportunities to further develop new ionization strategies for traditional and yet unforeseen applications of mass spectrometry. This Critical Insights article covers developments leading to the discovery of a seemingly magic ionization process that is simple to use, fast, sensitive, robust, and can be directly applied to surface characterization using portable or high performance mass spectrometers.

  2. "Magic" Ionization Mass Spectrometry.

    Science.gov (United States)

    Trimpin, Sarah

    2016-01-01

    The systematic study of the temperature and pressure dependence of matrix-assisted ionization (MAI) led us to the discovery of the seemingly impossible, initially explained by some reviewers as either sleight of hand or the misinterpretation by an overzealous young scientist of results reported many years before and having little utility. The “magic” that we were attempting to report was that with matrix assistance, molecules, at least as large as bovine serum albumin (66 kDa), are lifted into the gas phase as multiply charged ions simply by exposure of the matrix:analyte sample to the vacuum of a mass spectrometer. Applied heat, a laser, or voltages are not necessary to achieve charge states and ion abundances only previously observed with electrospray ionization (ESI). The fundamentals of how solid phase volatile or nonvolatile compounds are converted to gas-phase ions without added energy currently involves speculation providing a great opportunity to rethink mechanistic understanding of ionization processes used in mass spectrometry. Improved understanding of the mechanism(s) of these processes and their connection to ESI and matrix-assisted laser desorption/ionization may provide opportunities to further develop new ionization strategies for traditional and yet unforeseen applications of mass spectrometry. This Critical Insights article covers developments leading to the discovery of a seemingly magic ionization process that is simple to use, fast, sensitive, robust, and can be directly applied to surface characterization using portable or high performance mass spectrometers. PMID:26486514

  3. Single event mass spectrometry

    Science.gov (United States)

    Conzemius, Robert J.

    1990-01-16

    A means and method for single event time of flight mass spectrometry for analysis of specimen materials. The method of the invention includes pulsing an ion source imposing at least one pulsed ion onto the specimen to produce a corresponding emission of at least one electrically charged particle. The emitted particle is then dissociated into a charged ion component and an uncharged neutral component. The ion and neutral components are then detected. The time of flight of the components are recorded and can be used to analyze the predecessor of the components, and therefore the specimen material. When more than one ion particle is emitted from the specimen per single ion impact, the single event time of flight mass spectrometer described here furnis This invention was made with Government support under Contract No. W-7405-ENG82 awarded by the Department of Energy. The Government has certain rights in the invention.

  4. Isotope dilution mass spectrometry

    Science.gov (United States)

    Heumann, Klaus G.

    1992-09-01

    In the past isotope dilution mass spectrometry (IDMS) has usually been applied using the formation of positive thermal ions of metals. Especially in calibrating other analytical methods and for the certification of standard reference materials this type of IDMS became a routine method. Today, the progress in this field lies in the determination of ultra trace amounts of elements, e.g. of heavy metals in Antarctic ice and in aerosols in remote areas down to the sub-pg g-1 and sub-pg m-3 levels respectively, in the analysis of uranium and thorium at concentrations of a few pg g-1 in sputter targets for the production of micro- electronic devices or in the determination of sub-picogram amounts of230Th in corals for geochemical age determinations and of226Ra in rock samples. During the last few years negative thermal ionization IDMS has become a frequently used method. The determination of very small amounts of selenium and technetium as well as of other transition metals such as vanadium, chromium, molybdenum and tungsten are important examples in this field. Also the measurement of silicon in connection with a re-determination of Avogadro's number and osmium analyses for geological age determinations by the Re/Os method are of special interest. Inductively-coupled plasma mass spectrometry is increasingly being used for multi-element analyses by the isotope dilution technique. Determinations of heavy metals in samples of marine origin are representative examples for this type of multi-element analysis by IDMS. Gas chromatography-mass spectrometry systems have also been successfully applied after chelation of metals (for example Pt determination in clinical samples) or for the determination of volatile element species in the environment, e.g. dimethyl sulfide. However, IDMS--specially at low concentration levels in the environment--seems likely to be one of the most powerful analytical methods for speciation in the future. This has been shown, up to now, for species of

  5. Nanopore Mass Spectrometry

    Science.gov (United States)

    Bush, Joseph; Mihovilovic, Mirna; Maulbetsch, William; Frenchette, Layne; Moon, Wooyoung; Pruitt, Cole; Bazemore-Walker, Carthene; Weber, Peter; Stein, Derek

    2013-03-01

    We report on the design, construction, and characterization of a nanopore-based ion source for mass spectrometry. Our goal is to field-extract ions directly from solution into the high vacuum to enable unit collection efficiency and temporal resolution of sequential ion emissions for DNA sequencing. The ion source features a capillary whose tip, measuring tens to hundreds of nanometers in inner diameter, is situated in the vacuum ~ 1.5 cm away from an extractor electrode. The capillary was filled with conductive solution and voltage-biased relative to the extractor. Applied voltages of hundreds of volts extracted tens to hundreds of nA of current from the tip. A mass analysis of the extracted ions showed primarily singly charged clusters comprising the cation or anion solvated by several solvent molecules. Our interpretation of these results, based on the works of Taylor and of de la Mora, is that the applied electric stresses distort the fluid meniscus into a Taylor cone, where electric fields reach ~ 1V/nm and induce significant ion evaporation. Accordingly, the abundances of extracted ionic clusters resemble a Boltzmann distribution. This work was supported by NIH grant NHGRI 1R21HG005100-01.

  6. Negative chemical ionization mass spectrometry

    International Nuclear Information System (INIS)

    This thesis describes some aspects of Negative Chemical Ionization (NCI) mass spectrometry. The reasons for the growing interest in NCI are: (i) to extend the basic knowledge of negative ions and their reactions in the gas phase; (ii) to investigate whether or not this knowledge of negative ions can be used successfully to elucidate the structure of molecules by mass spectrometry. (Auth.)

  7. Functional genomics by mass spectrometry

    DEFF Research Database (Denmark)

    Andersen, Jens S.; Mann, M

    2000-01-01

    function, mass spectrometry is the method of choice. Mass spectrometry can now identify proteins with very high sensitivity and medium to high throughput. New instrumentation for the analysis of the proteome has been developed including a MALDI hybrid quadrupole time of flight instrument which combines...... advantages of the mass finger printing and peptide sequencing methods for protein identification. New approaches include the isotopic labeling of proteins to obtain accurate quantitative data by mass spectrometry, methods to analyze peptides derived from crude protein mixtures and approaches to analyze large...... numbers of intact proteins by mass spectrometry directly. Examples from this laboratory illustrate biological problem solving by modern mass spectrometric techniques. These include the analysis of the structure and function of the nucleolus and the analysis of signaling complexes....

  8. Mass Spectrometry of Halopyrazolium Salts

    DEFF Research Database (Denmark)

    Larsen, Elfinn; Egsgaard, Helge; Pande, U. C.;

    1983-01-01

    Eleven halogen substituted 1-methyl-2-phenylpyrazolium bromides or chlorides were investigated by field desorption, field ionization, and electron impact mass spectrometry. Dealkylation was found to be the predominant thermal decomposition. An exchange between covalent and ionic halogen prior...

  9. Linear electric field mass spectrometry

    Science.gov (United States)

    McComas, David J.; Nordholt, Jane E.

    1992-01-01

    A mass spectrometer and methods for mass spectrometry. 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.

  10. Mass spectrometry. [in organic chemistry

    Science.gov (United States)

    Burlingame, A. L.; Shackleton, C. H. L.; Howe, I.; Chizhov, O. S.

    1978-01-01

    A review of mass spectrometry in organic chemistry is given, dealing with advances in instrumentation and computer techniques, selected topics in gas-phase ion chemistry, and applications in such fields as biomedicine, natural-product studies, and environmental pollution analysis. Innovative techniques and instrumentation are discussed, along with chromatographic-mass spectrometric on-line computer techniques, mass spectral interpretation and management techniques, and such topics in gas-phase ion chemistry as electron-impact ionization and decomposition, photoionization, field ionization and desorption, high-pressure mass spectrometry, ion cyclotron resonance, and isomerization reactions of organic ions. Applications of mass spectrometry are examined with respect to bio-oligomers and their constituents, biomedically important substances, microbiology, environmental organic analysis, and organic geochemistry.

  11. Mass Spectrometry Instrumentation in Proteomics

    DEFF Research Database (Denmark)

    Sprenger, Richard Remko; Roepstorff, Peter

    2012-01-01

    Mass spectrometry has evolved into a crucial technology for the field of proteomics, enabling the comprehensive study of proteins in biological systems. Innovative developments have yielded flexible and versatile mass spectrometric tools, including quadrupole time-of-flight, linear ion trap......, Orbitrap and ion mobility instruments. Together they offer various and complementary capabilities in terms of ionization, sensitivity, speed, resolution, mass accuracy, dynamic range and methods of fragmentation. Mass spectrometers can acquire qualitative and quantitative information on a large scale...

  12. Digital Imaging Mass Spectrometry

    Science.gov (United States)

    Bamberger, Casimir; Renz, Uwe; Bamberger, Andreas

    2011-06-01

    Methods to visualize the two-dimensional (2D) distribution of molecules by mass spectrometric imaging evolve rapidly and yield novel applications in biology, medicine, and material surface sciences. Most mass spectrometric imagers acquire high mass resolution spectra spot-by-spot and thereby scan the object's surface. Thus, imaging is slow and image reconstruction remains cumbersome. Here we describe an imaging mass spectrometer that exploits the true imaging capabilities by ion optical means for the time of flight mass separation. The mass spectrometer is equipped with the ASIC Timepix chip as an array detector to acquire the position, mass, and intensity of ions that are imaged by matrix-assisted laser desorption/ionization (MALDI) directly from the target sample onto the detector. This imaging mass spectrometer has a spatial resolving power at the specimen of (84 ± 35) μm with a mass resolution of 45 and locates atoms or organic compounds on a surface area up to ~2 cm2. Extended laser spots of ~5 mm2 on structured specimens allows parallel imaging of selected masses. The digital imaging mass spectrometer proves high hit-multiplicity, straightforward image reconstruction, and potential for high-speed readout at 4 kHz or more. This device demonstrates a simple way of true image acquisition like a digital photographic camera. The technology may enable a fast analysis of biomolecular samples in near future.

  13. Digital Imaging Mass Spectrometry

    CERN Document Server

    Bamberger, Casimir; Bamberger, Andreas

    2011-01-01

    Methods to visualize the two-dimensional distribution of molecules by mass spectrometric imaging evolve rapidly and yield novel applications in biology, medicine, and material surface sciences. Most mass spectrometric imagers acquire high mass resolution spectra spot-by-spot and thereby scan the object's surface. Thus, imaging is slow and image reconstruction remains cumbersome. Here we describe an imaging mass spectrometer that exploits the true imaging capabilities by ion optical means for the time of flight mass separation. The mass spectrometer is equipped with the ASIC Timepix chip as an array detector to acquire the position, mass, and intensity of ions that are imaged by MALDI directly from the target sample onto the detector. This imaging mass spectrometer has a spatial resolving power at the specimen of (84\\pm35) \\mu m with a mass resolution of 45 and locates atoms or organic compounds on a surface area up to ~2 cm2. Extended laser spots of ~5 mm2 on structured specimens allowed parallel imaging of s...

  14. Symposium on accelerator mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    None

    1981-01-01

    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.

  15. Symposium on accelerator mass spectrometry

    International Nuclear Information System (INIS)

    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

  16. Mass spectrometry for biomarker development

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Chaochao; Liu, Tao; Baker, Erin Shammel; Rodland, Karin D.; Smith, Richard D.

    2015-06-19

    Biomarkers potentially play a crucial role in early disease diagnosis, prognosis and targeted therapy. In the past decade, mass spectrometry based proteomics has become increasingly important in biomarker development due to large advances in technology and associated methods. This chapter mainly focuses on the application of broad (e.g. shotgun) proteomics in biomarker discovery and the utility of targeted proteomics in biomarker verification and validation. A range of mass spectrometry methodologies are discussed emphasizing their efficacy in the different stages in biomarker development, with a particular emphasis on blood biomarker development.

  17. Cluster secondary ion mass spectrometry microscope mode mass spectrometry imaging

    NARCIS (Netherlands)

    Kiss, A.; Smith, D.F.; Jungmann, JH; Heeren, R.M.A.

    2013-01-01

    RATIONALE: Microscope mode imaging for secondary ion mass spectrometry is a technique with the promise of simultaneous high spatial resolution and high-speed imaging of biomolecules from complex surfaces. Technological developments such as new position-sensitive detectors, in combination with polyat

  18. Single Cell Proteomics with Ultra-High Sensitivity Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Frank, M

    2005-02-16

    This project was a joint LDRD project between PAT, CMS and NAI with the objective to develop an instrument that analyzes the biochemical composition of single cells in real-time using bioaerosol mass spectrometry (BAMS) combined with advanced laser desorption and ionization techniques. Applications include both biological defense, fundamental cell biology and biomedical research. BAMS analyzes the biochemical composition of single, micrometer-sized particles (such as bacterial cells or spores) that can be directly sampled from air or a suspension. BAMS is based on an earlier development of aerosol time of flight mass spectrometry (ATOFMS) by members of our collaboration [1,2]. Briefly, in ATOFMS and BAMS aerosol particles are sucked directly from the atmosphere into vacuum through a series of small orifices. As the particles approach the ion source region of the mass spectrometer, they cross and scatter light from two CW laser beams separated by a known distance. The timing of the two bursts of scattered light created by each ''tracked'' particle reveals the speed, location and size of the particle. This information then enables the firing of a high-intensity laser such that the resulting laser pulse desorbs and ionizes molecules from the tracked particle just as it reaches the center of the ion source region. The full spectrum of ions is then measured using a time-of-flight mass spectrometer. The ability to rapidly analyze individual particles is clearly applicable to the rapid detection of aerosolized biological warfare agents so long as agent particles can be made to produce mass spectra that are distinct from the spectra of harmless background particles. The pattern of ions formed is determined by the properties of the laser pulse, the particle, and, in aerosol matrix-assisted laser desorption/ionization (MALDI), also the MALDI matrix used. As a result, it is critical that the properties of the laser pulses used for desorption and ionization

  19. Electrospray Ionization Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-06-13

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

  20. Resonance ionisation mass spectrometry

    International Nuclear Information System (INIS)

    This report presents the results of an investigation of the technique resonance ionization mass spectroscopy. It offers the possibility of quick, accurate and highly sensitive analysis of samples which have undergone a minimum of chemical pretreatment. The technique can be applied to the detection of elements in trace amounts and for the detection of isotopes. Sample preparation, low-level counting and instrumentation are discussed. The proven capabilities and limitations of the technique and its commercial application and potential are presented. (U.K.)

  1. Mass Spectrometry in Polymer Chemistry

    CERN Document Server

    Barner-Kowollik, Christopher; Falkenhagen, Jana; Weidner, Steffen

    2011-01-01

    Combining an up-to-date insight into mass-spectrometric polymer analysis beyond MALDI with application details of the instrumentation, this is a balanced and thorough presentation of the most important and widely used mass-spectrometric methods.Written by the world's most proficient experts in the field, the book focuses on the latest developments, covering such technologies and applications as ionization protocols, tandem and liquid chromatography mass spectrometry, gas-phase ion-separation techniques and automated data processing. Chapters on sample preparation, polymer degradation and the u

  2. BIOAEROSOL SAMPLE COLLECTION METHODS

    Science.gov (United States)

    Bioaerosols are generally defined as those airborne particles that are living or originate from living organisms. Bioaerosol inhalation may result in a variety of lung diseases. Bioaerosols are recognized inhalation threats associated with waste management processes such as waste...

  3. Open Mass Spectrometry Search Algorithm

    CERN Document Server

    Geer, L Y; Kowalak, J A; Wagner, L; Xu, M; Maynard, D M; Yang, X; Shi, W; Bryant, S H; Geer, Lewis Y.; Markey, Sanford P.; Kowalak, Jeffrey A.; Wagner, Lukas; Xu, Ming; Maynard, Dawn M.; Yang, Xiaoyu; Shi, Wenyao; Bryant, Stephen H.

    2004-01-01

    Large numbers of MS/MS peptide spectra generated in proteomics experiments require efficient, sensitive and specific algorithms for peptide identification. In the Open Mass Spectrometry Search Algorithm [OMSSA], specificity is calculated by a classic probability score using an explicit model for matching experimental spectra to sequences. At default thresholds, OMSSA matches more spectra from a standard protein cocktail than a comparable algorithm. OMSSA is designed to be faster than published algorithms in searching large MS/MS datasets.

  4. Field detection and identification of a bioaerosol suite by pyrolysis-gas chromatography-ion mobility spectrometry

    Science.gov (United States)

    Snyder, A. Peter; Tripathi, Ashish; Maswadeh, Waleed M.; Ho, Jim; Spence, Mel

    2002-06-01

    Improvements were made to a pyrolysis-gas chromatography-ion mobility spectrometry stand-alone biodetector to provide more pyrolyzate compound information to the IMS detector module. Air carrier gas flowing continuously through the pyrolysis tube, the rate of air flow, and pyrolysis rate were found to improve the relative quality and quantity of pyrolyzate compounds detected by the IMS detector compare to earlier work. These improvements allowed a greater degree of confidence in the correlation of biological aerosols obtain in outdoor testing scenarios to a standard GC-IMS biological aerosol dataset. The airflow improvement allowed more biomarker compounds to be observed in the GC-IMS data domain for aerosols of Gram-negative Erwinia herbicola (EH) and ovalbumin protein as compared to previous studies. Minimal differences were observed for Gram-positive spores of Bacillus subtilis var. globigii (BG) from that of earlier work. Prior outdoor aerosol challenges dealt with the detection of one organism, either EH or BG. Biological aerosols were disseminated in a Western Canadian prairie and the Py-GC-IMS was tested for its ability to detect the biological aerosols. The current series of outdoor trials consisted of three different biological aerosol challenges. Forty-two trials were conducted and a simple area calculation of the GC-IMS data domain biomarker peaks correlated with the correct bioaerosol challenge in 30 trials. In another 7 trials, the status of an aerosol was determined to be biological in origin. Two additional trials had no discernible, unambiguous GC-IMS biological response, because they were black water sprays. Reproducible limits of detection were at a concentration of less than 0.5 bacterial analyte-containing particles per liter of air (ACPLA). In order to realize this low concentration, an aerosol concentrator was used to concentrate 2000 liters of air in 2.2 minutes. Previous outdoor aerosol trials have shown the Py-GC-IMS device to be a credible

  5. Laser sputter neutral mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    King, B.V.; Clarke, M.; Hu, H.; Betz [Newcastle Univ., NSW (Australia). Dept. of Physics

    1993-12-31

    Laser sputter neutral mass spectrometry (LSNMS) is an emerging technique for highly sensitive surface analysis. In this technique a target is bombarded with a pulsed beam of keV ions. The sputtered particles are intercepted by a high intensity pulsed laser beam above the surface and ionised with almost 100% efficiency. The photions may then be mass analysed using a quadrupole or, more commonly, using time of flight (TOF) techniques. In this method photoions are extracted from the ionisation region, accelerated to a known energy E{sub o} and strike a channelplate detector a distance `d` away. The flight time `t` of the photoions is then related to their mass by `d` {radical}m / {radical} 2E{sub o} so measurement of `t` allows mass spectra to be obtained. It is found that LSNMS is an emerging technique of great sensitivity and flexibility, useful for both applied analysis and to investigate basic sputtering processes. 4 refs., 3 figs.

  6. Ninth ISMAS workshop on mass spectrometry

    International Nuclear Information System (INIS)

    Mass spectrometry has wide-ranging applications in such diverse areas as nuclear industry, agriculture, drugs, environment, petroleum and lentils. There is an urgent need to absorb and assimilate state-of-the-art technological developments in the field. Emerging trends in atomic mass spectrometry, advances in organic mass spectrometry, qualitative and quantitative analyses by mass spectrometry and mass spectrometry in oceanography are some of the areas that need to be expeditiously examined and are covered in this volume. Papers relevant to INIS are indexed separately

  7. Electrophoresis-mass spectrometry probe

    Science.gov (United States)

    Andresen, Brian D.; Fought, Eric R.

    1987-01-01

    The invention involves a new technique for the separation of complex mixtures of chemicals, which utilizes a unique interface probe for conventional mass spectrometers which allows the electrophoretically separated compounds to be analyzed in real-time by a mass spectrometer. This new chemical analysis interface, which couples electrophoresis with mass spectrometry, allows complex mixtures to be analyzed very rapidly, with much greater specificity, and with greater sensitivity. The interface or probe provides a means whereby large and/or polar molecules in complex mixtures to be completely characterized. The preferred embodiment of the probe utilizes a double capillary tip which allows the probe tip to be continually wetted by the buffer, which provides for increased heat dissipation, and results in a continually operating interface which is more durable and electronically stable than the illustrated single capillary tip probe interface.

  8. Protein Analysis by Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    Cindic, M.

    2008-04-01

    Full Text Available Soft ionization techniques, electrospray (ESI and matrix-assisted laser desorption/ionization (MALDI make the analysis of biomolecules by mass spectrometry (MS possible. MS is used for determination of the molecular weight of peptides and protein, sequence analysis, characterization of protein-ligand interactions etc. The detection limit, resolution and mass accuracy depend on instrument used (Table 1. Impurities (buffers, salts, detergents can reduce the ion intensities or even totally suppress them, so a separation method (chromatography, 2D-gel electrophoresis must be used for purification of the sample.Molecular mass of intact protein can be determined by ESI or MALDI MS. Multiply charged ions are produced by ESI MS, while singly charged ions are predominant in MALDI spectra (Fig. 2.Sequence analysis of proteins by MS can be performed using peptide mass fingerprint. In this method, proteins are separated by 2-D gel electrophoresis and digested with specific protease (Table 2 or digested and then separated by two-dimensional chromatography (Fig. 1. The obtained peptide mixtures are analyzed by MS or MALDI-TOF technique. The masses determined by MS are compared with calculated masses from database entries. Different algorithms have been developed for protein identification. Example of posttranslational modifications (N- and O-glycosylation and protein sequence complex analysis after dual digestion (endoproteinase digestion followed by endoglycosidase digestion is shown in Fig. 3.It is known that detection of peptides by MS is influenced by intrinsic properties like amino acid composition, the basicity of the C-terminal amino acid, hydrophobicity, etc. Arginine-containing peptides dominate in MS spectra of tryptic digest, so the chemical derivatization of lysine terminal residue by O-methilisourea or 2-methoxy-4,5-1H-imidazole was suggested (Fig. 4.The peptide mass fingerprint method can be improved further by peptide fragmentation using tandem

  9. Neuroscience and Accelerator Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Palmblad, M N; Buchholz, B A; Hillegonds, D J; Vogel, J S

    2004-08-02

    Accelerator mass spectrometry (AMS) is a mass spectrometric method for quantifying rare isotopes. It has had great impact in geochronology and archaeology and is now being applied in biomedicine. AMS measures radioisotopes such as {sup 3}H, {sup 14}C, {sup 26}Al, {sup 36}Cl and {sup 41}Ca, with zepto- or attomole sensitivity and high precision and throughput, enabling safe human pharmacokinetic studies involving: microgram doses, agents having low bioavailability, or toxicology studies where administered doses must be kept low (<1 {micro}g/kg). It is used to study long-term pharmacokinetics, to identify biomolecular interactions, to determine chronic and low-dose effects or molecular targets of neurotoxic substances, to quantify transport across the blood-brain barrier and to resolve molecular turnover rates in the human brain on the timescale of decades. We will here review how AMS is applied in neurotoxicology and neuroscience.

  10. The life sciences mass spectrometry research unit.

    Science.gov (United States)

    Hopfgartner, Gérard; Varesio, Emmanuel

    2012-01-01

    The Life Sciences Mass Spectrometry (LSMS) research unit focuses on the development of novel analytical workflows based on innovative mass spectrometric and software tools for the analysis of low molecular weight compounds, peptides and proteins in complex biological matrices. The present article summarizes some of the recent work of the unit: i) the application of matrix-assisted laser desorption/ionization (MALDI) for mass spectrometry imaging (MSI) of drug of abuse in hair, ii) the use of high resolution mass spectrometry for simultaneous qualitative/quantitative analysis in drug metabolism and metabolomics, and iii) the absolute quantitation of proteins by mass spectrometry using the selected reaction monitoring mode. PMID:22867547

  11. Method and device for detecting and identifying bio-aerosol particles in the air

    OpenAIRE

    Stowers. M.A.; van Wuijckhuijse, A.L.; Marijnissen, J.C.; Kientz, C.E.

    2002-01-01

    In a method for detecting and identifying bioaerosol particles in the air, the bioaerosol particles in a particle stream are selected in an ATOFMS (aerosol time-of-flight mass spectrometer) by means of fluorescence techniques, and only the selected bioaerosol particles are ionized, for instance on the basis of MALDI (matrix-assisted laser desorption/ionization), after which the resulting ions are detected and the bioaerosol particles are identified.; The selection of bioaerosol particles take...

  12. NICHD Biomedical Mass Spectrometry Core Facility

    Data.gov (United States)

    Federal Laboratory Consortium — The NICHD Biomedical Mass Spectrometry Core Facility was created under the auspices of the Office of the Scientific Director to provide high-end mass-spectrometric...

  13. Proton transfer reaction - mass spectrometry

    International Nuclear Information System (INIS)

    Proton transfer reaction mass spectrometry (PTR-MS) provides on-line monitoring of volatile organic compounds (VOCs) with a low detection threshold and a fast response time. Commercially available set-ups are usually based on quadrupole analysers but recently new instruments based on time-of-flight (PTR-ToF-MS) analysers have been proposed and commercialized. PTR-MS has been successfully applied to a variety of fields including environmental science, food science and technology, plant physiology and medical science. Many new challenges arise from the newly available PTR-ToF-MS instruments, ranging from mass calibration and absolute VOC concentration determination to data mining and sample classification. This thesis addresses some of these problems in a coherent framework. Moreover, relevant applications in food science and technology are presented. It includes twelve papers published in peer reviewed journals. Some of them address methodological issues regarding PTR-ToF-MS; the others contain applicative studies of PTR-ToF-MS to food science and technology. Among them, there are the first two published applications of PTR-ToF-MS in this field. (author)

  14. Mass spectrometry-assisted protease substrate screening

    DEFF Research Database (Denmark)

    Schlüter, Hartmut; Rykl, Jana; Thiemann, Joachim;

    2007-01-01

    -phase chromatography they are analyzed by tandem mass spectrometry and the substrates identified by database searching. The proof of principle in this study is demonstrated by incubating immobilized human plasma proteins with thrombin and by identifying by tandem mass spectrometry the fibrinopeptides, released...

  15. Developments in ion mobility spectrometry-mass spectrometry.

    Science.gov (United States)

    Collins, D C; Lee, M L

    2002-01-01

    Ion mobility spectrometry (IMS) has been used for over 30 years as a sensitive detector of organic compounds. The following is a brief review of IMS and its principles with an emphasis on its usage when coupled to mass spectrometry. Since its inception, IMS has been interfaced with quadrupole, time-of-flight, and Fourier-transform ion cyclotron resonance mass spectrometry. These hybrid instruments have been employed for the analysis of a variety of target analytes, including biomolecules, explosives, chemical warfare degradation products, and illicit drugs. PMID:11939214

  16. Absorption Mode FTICR Mass Spectrometry Imaging

    NARCIS (Netherlands)

    Smith, D.F.; Kilgour, D.P.A.; Konijnenburg, M.; O'Connor, P.B.; Heeren, R.M.A.

    2013-01-01

    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

  17. Methods for recalibration of mass spectrometry data

    Science.gov (United States)

    Tolmachev, Aleksey V.; Smith, Richard D.

    2009-03-03

    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.

  18. Introduction to mass spectrometry-based proteomics

    DEFF Research Database (Denmark)

    Matthiesen, Rune; Bunkenborg, Jakob

    2013-01-01

    Mass spectrometry has been widely applied to study biomolecules and one rapidly developing field is the global analysis of proteins, proteomics. Understanding and handling mass spectrometry data is a multifaceted task that requires many decisions to be made to get the most comprehensive information...... from an experiment. Later chapters in this book deal in-depth with various aspects of the process and how different tools can be applied to the many analytical challenges. This introductory chapter is intended as a basic introduction to mass spectrometry (MS)-based proteomics to set the scene...... for newcomers and give pointers to reference material. There are many applications of mass spectrometry in proteomics and each application is associated with some analytical choices, instrumental limitations and data processing steps that depend on the aim of the study and means of conducting it. Different...

  19. Correcting mass shifts: Lock mass-free recalibration procedure for mass spectrometry imaging

    Czech Academy of Sciences Publication Activity Database

    Kulkarni, P.; Kynast, P.; Kaftan, Filip; Vrkoslav, V.; Cvačka, Josef; Knaden, M.; Svatoš, Aleš; Böcker, S.

    Baltimore : -, 2014. 030. [ASMS Conference on Mass Spectrometry and Allied Topics /62./. 15.06.2014-19.06.2014, Baltimore] Institutional support: RVO:61388963 Keywords : mass spectrometry imaging * mass shift * insects Subject RIV: CB - Analytical Chemistry, Separation

  20. Mass spectrometry imaging for biomedical applications

    OpenAIRE

    Liu, Jiangjiang; Ouyang, Zheng

    2013-01-01

    The development of mass spectrometry imaging technologies is of significant current research interest. Mass spectrometry potentially is capable of providing highly specific information about the distribution of chemical compounds on tissues at highly sensitive levels. The required in-situ analysis for the tissue imaging forced MS analysis being performed off the traditional conditions optimized in pharmaceutical applications with intense sample preparation. This critical review seeks to prese...

  1. Miniaturization of Mass Spectrometry Analysis Systems

    OpenAIRE

    Xu, Wei; Manicke, Nicholas E.; Cooks, Graham R.; Ouyang, Zheng

    2010-01-01

    The key concepts and technologies developed in our laboratories in Purdue University for the miniaturization of mass spectrometry analysis systems are introduced. Mass analyzers of simple geometries with a novel atmospheric pressure interface were employed allowed reduction in the size of the ion trap mass spectrometer. Ambient ionization methods were developed and coupled to miniature mass spectrometers to allow direct MS analysis of complex samples without sample preparation and chemical se...

  2. Analysis of mass spectrometry data in proteomics

    DEFF Research Database (Denmark)

    Matthiesen, Rune; Jensen, Ole N

    2008-01-01

    The systematic study of proteins and protein networks, that is, proteomics, calls for qualitative and quantitative analysis of proteins and peptides. Mass spectrometry (MS) is a key analytical technology in current proteomics and modern mass spectrometers generate large amounts of high-quality data...... that in turn allow protein identification, annotation of secondary modifications, and determination of the absolute or relative abundance of individual proteins. Advances in mass spectrometry-driven proteomics rely on robust bioinformatics tools that enable large-scale data analysis. This chapter...

  3. Analytical aspects of hydrogen exchange mass spectrometry

    Science.gov (United States)

    Engen, John R.; Wales, Thomas E.

    2016-01-01

    The analytical aspects of measuring hydrogen exchange by mass spectrometry are reviewed. The nature of analytical selectivity in hydrogen exchange is described followed by review of the analytical tools required to accomplish fragmentation, separation, and the mass spectrometry measurements under restrictive exchange quench conditions. In contrast to analytical quantitation that relies on measurements of peak intensity or area, quantitation in hydrogen exchange mass spectrometry depends on measuring a mass change with respect to an undeuterated or deuterated control, resulting in a value between zero and the maximum amount of deuterium that could be incorporated. Reliable quantitation is a function of experimental fidelity and to achieve high measurement reproducibility, a large number of experimental variables must be controlled during sample preparation and analysis. The method also reports on important qualitative aspects of the sample, including conformational heterogeneity and population dynamics. PMID:26048552

  4. A REVIEW ON MASS SPECTROMETRY DETECTORS

    Directory of Open Access Journals (Sweden)

    Khatri Neetu

    2012-10-01

    Full Text Available Mass spectrometry is an analytical technique for "weighing" molecules. Obviously, this is not done with a conventional scale or balance. Instead, mass spectrometry is based upon the principle of the motion of a charged particle that is called an ion, in an electric or magnetic field. The mass to charge ratio (m/z of the ion affects particles motion. Since the charge of an electron is known, the mass to charge ratio (m/z is a measurement of mass of an ion. Mass spectrometry research focuses on the formation of gas phase ions, and detection of ions. Detectors in mass spectrometer detect the separated ions according to m/z ratio. The main disadvantages of conventional detectors are very low sensitivity and poor detection efficiency. Detectors are of a great interest to a wide range of industrial, military, environmental and even biological applications. In recent developments, molecules of higher mass can also be detected and enhanced lifetime under the less than ideal environments typically encountered in mass spectrometers. This review deals in detail about the design, working and principle of mass spectrometric detectors and their recent developments.

  5. Mass spectrometry in natural product chemistry.

    Science.gov (United States)

    Clayton, E; Hill, H C; Reed, R I

    1966-01-01

    Some mass spectrometric techniques are described which seem applicable to investigating problems in natural product chemistry. One example is of a sample of 5 mcg of a compound being identified by comparison with an authentic sample of prostaglandin derivative. Compared were mass, ion content, and structure. In the prostaglandin/unknown substance comparison, high-resolution mass spectrometry resolved a quandary: apparent additional ions present in the unknown substance were shown to be an impurity. PMID:12262324

  6. Capillary electrophoresis electrospray ionization mass spectrometry interface

    Science.gov (United States)

    Smith, Richard D.; Severs, Joanne C.

    1999-01-01

    The present invention is an interface between a capillary electrophoresis separation capillary end and an electrospray ionization mass spectrometry emitter capillary end, for transporting an anolyte sample from a capillary electrophoresis separation capillary to a electrospray ionization mass spectrometry emitter capillary. The interface of the present invention has: (a) a charge transfer fitting enclosing both of the capillary electrophoresis capillary end and the electrospray ionization mass spectrometry emitter capillary end; (b) a reservoir containing an electrolyte surrounding the charge transfer fitting; and (c) an electrode immersed into the electrolyte, the electrode closing a capillary electrophoresis circuit and providing charge transfer across the charge transfer fitting while avoiding substantial bulk fluid transfer across the charge transfer fitting. Advantages of the present invention have been demonstrated as effective in providing high sensitivity and efficient analyses.

  7. Extending mass spectrometry's reach in proteome analysis

    International Nuclear Information System (INIS)

    Full text: Mass spectrometry is an essential component of proteome analysis. The accuracy, speed and sensitivity of mass spectrometric analysis is further aided by an ability to analyse proteins and peptides directly from two-dimensional sample arrays. This is accomplished either by gel excision and recovery of proteins or their proteolysis products, or after blotting of gel-separated proteins onto membranes. The protein components are most often analysed in each case by matrix-assisted laser desorption ionisation (MALDI) mass spectrometry. Beyond automated protein identification, proteomics ultimately demands that protein function and activity be characterised. We have developed new mass spectrometry methodologies that enable protein-protein associations to be analysed by MALDI mass spectrometry. Methods to preserve protein-protein associations on 2D sample surfaces and to affect their ionisation and detection have been developed. This presentation will describe the features of protocol that are required for the successful analysis of protein-protein complexes. Data will be shown to illustrate the application of the technology to the study of important biological and immunological processes. The methods form the basis of powerful new mass spectrometric based assays for screening and affinity studies. Details of our investigations and their implications for high-throughput proteomics applications will be discussed in conjunction with directions of our future research

  8. Development of Gas Chromatographic Mass Spectrometry.

    Science.gov (United States)

    Hites, Ronald A

    2016-07-19

    Gas chromatographic mass spectrometry is now widely used for the quantitation and identification of organic compounds in almost any imaginable sample. These applications include the measurement of chlorinated dioxins in soil samples, the identification of illicit drugs in human blood, and the quantitation of accelerants in arson investigations, to name just a few. How did GC/MS get so popular? It turns out that it required parallel developments in mass spectrometry, gas chromatography, and computing and that no one person "invented" the technique. This Perspective traces this history from the 1950s until today. PMID:27384908

  9. Characterization of Synthetic Peptides by Mass Spectrometry

    DEFF Research Database (Denmark)

    Prabhala, Bala K; Mirza, Osman; Højrup, Peter;

    2015-01-01

    Mass spectrometry (MS) is well suited for analysis of the identity and purity of synthetic peptides. The sequence of a synthetic peptide is most often known, so the analysis is mainly used to confirm the identity and purity of the peptide. Here, simple procedures are described for MALDI-TOF-MS and...

  10. Nanostructure-initiator mass spectrometry biometrics

    Science.gov (United States)

    Leclerc, Marion; Bowen, Benjamin; Northen, Trent

    2015-09-08

    Several embodiments described herein are drawn to methods of identifying an analyte on a subject's skin, methods of generating a fingerprint, methods of determining a physiological change in a subject, methods of diagnosing health status of a subject, and assay systems for detecting an analyte and generating a fingerprint, by nanostructure-initiator mass spectrometry (NIMS).

  11. Nanostructure-initiator mass spectrometry biometrics

    Energy Technology Data Exchange (ETDEWEB)

    Leclerc, Marion; Bowen, Benjamin; Northen, Trent

    2015-09-08

    Several embodiments described herein are drawn to methods of identifying an analyte on a subject's skin, methods of generating a fingerprint, methods of determining a physiological change in a subject, methods of diagnosing health status of a subject, and assay systems for detecting an analyte and generating a fingerprint, by nanostructure-initiator mass spectrometry (NIMS).

  12. Identification of bacteria using mass spectrometry techniques

    Czech Academy of Sciences Publication Activity Database

    Krásný, Lukáš; Hynek, R.; Hochel, I.

    2013-01-01

    Roč. 353, NOV 2013 (2013), s. 67-79. ISSN 1387-3806 R&D Projects: GA ČR GAP503/10/0664 Institutional support: RVO:61388971 Keywords : Mass spectrometry * Bacteria * Identification Subject RIV: EE - Microbiology, Virology Impact factor: 2.227, year: 2013

  13. Introduction to mass spectrometry-based proteomics

    DEFF Research Database (Denmark)

    Matthiesen, R.; Bunkenborg, J.

    2013-01-01

    for newcomers and give pointers to reference material. There are many applications of mass spectrometry in proteomics and each application is associated with some analytical choices, instrumental limitations and data processing steps that depend on the aim of the study and means of conducting it. Different...

  14. Modeling Mass Spectrometry Based Protein Analysis

    OpenAIRE

    Eriksson, Jan; Fenyö, David

    2011-01-01

    The success of mass spectrometry based proteomics depends on efficient methods for data analysis. These methods require a detailed understanding of the information value of the data. Here, we describe how the information value can be elucidated by performing simulations using synthetic data.

  15. Indoor bioaerosol dynamics.

    Science.gov (United States)

    Nazaroff, William W

    2016-02-01

    Inhaling indoor air is the primary means by which humans are exposed to bioaerosols. Considering bacteria, fungi, and viruses, this study reviews the dynamic processes that govern indoor concentrations and fates of biological particulate material. Bioaerosol behavior is strongly coupled to particle size; this study emphasizes the range 0.1-10 μm in aerodynamic diameter. The principle of material balance allows concentrations to be determined from knowledge of important source and removal processes. Sources reviewed here include outdoor air introduced by air exchange plus indoor emission from occupants, occupant activities, and moldy materials. Important mechanisms that remove bioaerosols from indoor air include air exchange, deposition onto indoor surfaces, and active filtration. The review summarizes knowledge about size-dependent particle deposition in different regions of the respiratory tract, techniques for measuring indoor bioaerosols, and evidence for diseases caused by airborne exposure to bioaerosols. Future research challenges and opportunities are highlighted. PMID:25483392

  16. Application of mass spectrometry for metabolite identification.

    Science.gov (United States)

    Ma, Shuguang; Chowdhury, Swapan K; Alton, Kevin B

    2006-06-01

    Metabolism studies play a pivotal role in drug discovery and development. Characterization of metabolic "hot-spots" as well as reactive and pharmacologically active metabolites is critical to designing new drug candidates with improved metabolic stability, toxicological profile and efficacy. Metabolite identification in the preclinical species used for safety evaluation is required in order to determine whether human metabolites have been adequately tested during non-clinical safety assessment. From an instrumental standpoint, high performance liquid chromatography (HPLC) coupled with mass spectrometry (MS) dominates all analytical tools used for metabolite identification. The general strategies employed for metabolite identification in both drug discovery and drug development settings together with sample preparation techniques are reviewed herein. These include a discussion of the various ionization methods, mass analyzers, and tandem mass spectrometry (MS/MS) techniques that are used for structural characterization in a modern drug metabolism laboratory. Mass spectrometry-based techniques, such as stable isotope labeling, on-line H/D exchange, accurate mass measurement to enhance metabolite identification and recent improvements in data acquisition and processing for accelerating metabolite identification are also described. Rounding out this review, we offer additional thoughts about the potential of alternative and less frequently used techniques such as LC-NMR/MS, CRIMS and ICPMS. PMID:16787159

  17. Accelerator mass spectrometry: state of the art

    Energy Technology Data Exchange (ETDEWEB)

    Tuniz, C. [Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW (Australia)

    1996-12-31

    Accelerator Mass Spectrometry (AMS) is the analytical technique of choice for the detection of long-lived radionuclides which cannot be practically analysed with decay counting or conventional mass spectrometry. The main use of AMS has been in the analysis of radiocarbon and other cosmogenic radionuclides for archaeological, geological and environmental applications. In addition, AMS has been recently applied in biomedicine to study exposure of human tissues to chemicals and biomolecules at attomole levels. There is also a world-wide effort to analyse rare nuclides of heavier masses, such as long-lived actinides, with important applications in safeguards and nuclear waste disposal. The use of AMS is limited by the expensive accelerator technology required and there are several attempts to develop smaller and cheaper AMS spectrometers. 5 refs.

  18. Space Applications of Mass Spectrometry. Chapter 31

    Science.gov (United States)

    Hoffman, John H.; Griffin, Timothy P.; Limero, Thomas; Arkin, C. Richard

    2010-01-01

    Mass spectrometers have been involved in essentially all aspects of space exploration. This chapter outlines some of these many uses. Mass spectrometers have not only helped to expand our knowledge and understanding of the world and solar system around us, they have helped to put man safely in space and expand our frontier. Mass spectrometry continues to prove to be a very reliable, robust, and flexible analytical instrument, ensuring that its use will continue to help aid our investigation of the universe and this small planet that we call home.

  19. Thermal ionisation mass spectrometry (TIMS): what, how and why?

    International Nuclear Information System (INIS)

    Thermal ionisation mass spectrometry (TIMS) is one of the oldest mass spectrometric techniques, which has been used for determining the isotopic composition and concentration of different elements using isotope dilution. In spite of the introduction of many other inorganic mass spectrometric techniques like spark source mass spectrometry (SSMS), glow discharge mass spectrometry (GDMS), inductively coupled plasma-mass spectrometry (ICP-MS), secondary ion mass spectrometry (SIMS), the TIMS technique plays the role of a definitive analytical methodology and still occupies a unique position in terms of its capabilities with respect to precision and accuracy as well as sensitivity

  20. Alpha spectrometry and the secondary ion mass spectrometry of thorium

    International Nuclear Information System (INIS)

    The main objective of this master thesis was preparation of samples with thorium content on the steel discs by electrodeposition for determination of natural thorium isotope by alpha spectrometry and the secondary ion mass spectrometry and finding out their possible linear correlation between these methods. The samples with electrolytically excluded isotope of 232Th were prepared by electrodeposition from solution Th(NO3)4·12H2O on steel discs in electrodeposition cell with use of solutions Na2SO4, NaHSO4, KOH and (NH4)2(C2O4) by electric current 0.75 A. Discs were measured by alpha spectrometer. Activity was calculated from the registered impulses for 232Th and surface's weight. After alpha spectrometry measurements discs were analyzed by TOF-SIMS IV which is installed in the International Laser Centre in Bratislava. Intensities of isotope of 232Th and ions of ThO+, ThOH+, ThO2H+, Th2O4H+, ThO2-, ThO3H-, ThH3O3- and ThN2O5H- were identified. The linear correlation is between surface's weights of Th and intensities of ions of Th+ from SIMS, however the correlation coefficient has relatively low value. We found out with SIMS method that oxidized and hydride forms of thorium are significantly represented in samples with electroplated thorium. (authors)

  1. High resolution laser mass spectrometry bioimaging.

    Science.gov (United States)

    Murray, Kermit K; Seneviratne, Chinthaka A; Ghorai, Suman

    2016-07-15

    Mass spectrometry imaging (MSI) was introduced more than five decades ago with secondary ion mass spectrometry (SIMS) and a decade later with laser desorption/ionization (LDI) mass spectrometry (MS). Large biomolecule imaging by matrix-assisted laser desorption/ionization (MALDI) was developed in the 1990s and ambient laser MS a decade ago. Although SIMS has been capable of imaging with a moderate mass range at sub-micrometer lateral resolution from its inception, laser MS requires additional effort to achieve a lateral resolution of 10μm or below which is required to image at the size scale of single mammalian cells. This review covers untargeted large biomolecule MSI using lasers for desorption/ionization or laser desorption and post-ionization. These methods include laser microprobe (LDI) MSI, MALDI MSI, laser ambient and atmospheric pressure MSI, and near-field laser ablation MS. Novel approaches to improving lateral resolution are discussed, including oversampling, beam shaping, transmission geometry, reflective and through-hole objectives, microscope mode, and near-field optics. PMID:26972785

  2. Mass spectrometry imaging and profiling of single cells

    OpenAIRE

    Lanni, Eric J.; Rubakhin, Stanislav S.; Sweedler, Jonathan V.

    2012-01-01

    Mass spectrometry imaging and profiling of individual cells and subcellular structures provide unique analytical capabilities for biological and biomedical research, including determination of the biochemical heterogeneity of cellular populations and intracellular localization of pharmaceuticals. Two mass spectrometry technologies—secondary ion mass spectrometry (SIMS) and matrix assisted laser desorption ionization mass spectrometry (MALDI MS)—are most often used in micro-bioanalytical inves...

  3. Storage-Ring Mass Spectrometry in Japan

    Science.gov (United States)

    Suzaki, Fumi; Yamaguchi, Takayuki

    Atomic masses are a fundamental ground-state property of nuclei, reflecting a wide variety of structures and dynamics among nucleons. High-precision mass values of short-lived, in particular neutron-rich, nuclei are a key issue toward full understanding of astrophysical nucleosynthesis, as well as nuclear shell evolution far from stability. Beyond the precision mass measurements performed at worldwide ion-trap facilities, a new method of storage-ring mass spectrometry is now being developed at the RIKEN RI Beam Factory in Japan. Combined with the highest intensities of intermediate-energy radioactive ion beams currently available through in-flight separation of uranium fission products, the present method will enable us to measure the masses of extremely neutron-rich, rare species located on the r-process pathway, with a tiny yield (as low as ~1 counts/day).

  4. Laser-cooling-assisted mass spectrometry

    CERN Document Server

    Schneider, Christian; Chen, Kuang; Sullivan, Scott T; Hudson, Eric R

    2014-01-01

    Mass spectrometry is used in a wide range of scientific disciplines including proteomics, pharmaceutics, forensics, and fundamental physics and chemistry. Given this ubiquity, there is a worldwide effort to improve the efficiency and resolution of mass spectrometers. However, the performance of all techniques is ultimately limited by the initial phase-space distribution of the molecules being analyzed. Here, we dramatically reduce the width of this initial phase-space distribution by sympathetically cooling the input molecules with laser-cooled, co-trapped atomic ions, improving both the mass resolution and detection efficiency of a time-of-flight mass spectrometer by over an order of magnitude. Detailed molecular dynamics simulations verify the technique and aid with evaluating its effectiveness. Our technique appears to be applicable to other types of mass spectrometers.

  5. Spatial neuroproteomics using imaging mass spectrometry.

    Science.gov (United States)

    Hanrieder, Jörg; Malmberg, Per; Ewing, Andrew G

    2015-07-01

    The nervous system constitutes arguably the most complicated and least understood cellular network in the human body. This consequently manifests itself in the fact that the molecular bases of neurodegenerative diseases remain unknown. The limited understanding of neurobiological mechanisms relates directly to the lack of appropriate bioanalytical technologies that allow highly resolved, sensitive, specific and comprehensive molecular imaging in complex biological matrices. Imaging mass spectrometry (IMS) is an emerging technique for molecular imaging. The technique is characterized by its high chemical specificity allowing comprehensive, spatial protein and peptide profiling in situ. Imaging MS represents therefore a powerful approach for investigation of spatio-temporal protein and peptide regulations in CNS derived tissue and cells. This review aims to provide a concise overview of major developments and applications concerning imaging mass spectrometry based protein and peptide profiling in neurobiological and biomedical research. This article is part of a Special Issue entitled: Neuroproteomics: Applications in Neuroscience and Neurology. PMID:25582083

  6. Isotope ratio mass spectrometry in oceanic studies

    International Nuclear Information System (INIS)

    Isotope ratio mass spectrometry (IRMS) is an important and well established method in many scientific fields as analytical chemistry (isotope dilution MS), physical chemistry, nuclear sciences and technology, environmental, agricultural, geological isotope dating, archaeometric, cosmic, bioavailability and nutrition studies, food authentication and adulteration control, elucidation of chemical reaction mechanism, isotope effect studies on chemical reactions and isotope enrichment/separation processes. This paper is aimed to provide a brief summary of IRMS contribution to sea and oceanic studies

  7. Mass Spectrometry in Plant-omics.

    Science.gov (United States)

    Gemperline, Erin; Keller, Caitlin; Li, Lingjun

    2016-04-01

    Plant-omics is rapidly becoming an important field of study in the scientific community due to the urgent need to address many of the most important questions facing humanity today with regard to agriculture, medicine, biofuels, environmental decontamination, ecological sustainability, etc. High-performance mass spectrometry is a dominant tool for interrogating the metabolomes, peptidomes, and proteomes of a diversity of plant species under various conditions, revealing key insights into the functions and mechanisms of plant biochemistry. PMID:26889688

  8. Detection of Gunshot Residues Using Mass Spectrometry

    OpenAIRE

    Regina Verena Taudte; Alison Beavis; Lucas Blanes; Nerida Cole; Philip Doble; Claude Roux

    2014-01-01

    In recent years, forensic scientists have become increasingly interested in the detection and interpretation of organic gunshot residues (OGSR) due to the increasing use of lead- and heavy metal-free ammunition. This has also been prompted by the identification of gunshot residue- (GSR-) like particles in environmental and occupational samples. Various techniques have been investigated for their ability to detect OGSR. Mass spectrometry (MS) coupled to a chromatographic system is a powerful t...

  9. Monolithic multinozzle emitters for nanoelectrospray mass spectrometry

    Science.gov (United States)

    Wang, Daojing; Yang, Peidong; Kim, Woong; Fan, Rong

    2011-09-20

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

  10. Accelerator mass spectrometry for radiocarbon dating

    OpenAIRE

    Bronk, Christopher Ramsey.; Hedges, Robert; Robert Hedges

    1987-01-01

    Accelerator mass spectrometry (AMS) has been used routinely for radiocarbon measurements for several years. During this period it has become evident neither the accuracy nor the range of the technique were as great as had originally been hoped. This thesis describes both theoretical work to understand the reasons for this and practical solutions to overcome some of the problems. The production and transport of the ions used in the measurements are found to be the most crucial stages in...

  11. Laser mass spectrometry for selective ultratrace determination

    CERN Document Server

    Wendt, K; Müller, P; Nörtershäuser, W; Schmitt, A; Trautmann, N; Bushaw, B A

    1999-01-01

    Resonance ionization mass spectrometry has been explored in respect to its capabilities for isobaric suppression, isotopic selectivity, and overall efficiency. Theoretical calculations within the density matrix formalism on coherent multi-step excitation processes predict high specifications, which have been confirmed by spectroscopic measurements in Ca and which make the technique attractive for ultratrace detection. Analytical applications are found in the determination of the ultratrace isotope sup 4 sup 1 Ca for cosmochemical, radiodating, and medical applications.

  12. Mass spectrometry by means of tandem accelerators

    International Nuclear Information System (INIS)

    Mass spectrometry based on an accelerator allows to measure rare cosmogenic isotopes found in natural samples with isotopic abundances up to 10E-15. The XTU Tandem of Legnaro National Laboratories can measure mean heavy isotopes (36Cl, 41Ca, 129I) in applications interesting cosmochronology and Medicine. The TTT-3 Tandem of the Naples University has been modified in view of precision studies of C14 in Archeology, Paleantology and Geology. In this paper a review is made of principles and methodologies and of some applicationy in the framework of the National Program for mass spectrametry research with the aid of accelerators

  13. Identifying modifications in RNA by MALDI mass spectrometry

    DEFF Research Database (Denmark)

    Douthwaite, Stephen; Kirpekar, Finn

    2007-01-01

    Posttranscriptional modifications on the base or sugar of ribonucleosides generally result in mass increases that can be measured by mass spectrometry. Matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) is a direct and accurate means of determining the masses of RNAs. Mass...

  14. Uncoiling collagen: a multidimensional mass spectrometry study.

    Science.gov (United States)

    Simon, H J; van Agthoven, M A; Lam, P Y; Floris, F; Chiron, L; Delsuc, M-A; Rolando, C; Barrow, M P; O'Connor, P B

    2016-01-01

    Mass spectrometry can be used to determine structural information about ions by activating precursors and analysing the resulting series of fragments. Two-dimensional Fourier transform ion cyclotron resonance mass spectrometry (2D FT-ICR MS) is a technique that correlates the mass-to-charge (m/z) ratio of fragment and precursor ions in a single spectrum. 2D FT-ICR MS records the fragmentation of all ions in a sample without the need for isolation. To analyse specific precursors, horizontal cross-sections of the spectrum (fragment ion scans) are taken, providing an alternative to conventional tandem mass spectrometry (MS/MS) experiments. In this work, 2D FT-ICR MS has been used to study the tryptic digest of type I collagen, a large protein. Fragment ion scans have been extracted from the 2D FT-ICR MS spectrum for precursor m/z ratios: 951.81, 850.41, 634.34, and 659.34, and 2D FT-ICR MS spectra are compared with a set of 1D MS/MS spectra using different fragmentation methods. The results show that two-dimensional mass spectrometry excells at MS/MS of complex mixtures, simplifying spectra by eliminating contaminant peaks, and aiding the identification of species in the sample. Currently, with desktop computers, 2D FT-ICR MS is limited by data processing power, a limitation which should be alleviated using cluster parallel computing. In order to explore 2D FT-ICR MS for collagen, with reasonable computing time, the resolution in the fragment ion dimension is limited to 256k data points (compared to 4M data points in 1D MS/MS spectra), but the vertical precursor ion dimension has 4096 lines, so the total data set is 1G data points (4 Gbytes). The fragment ion coverage obtained with a blind, unoptimized 2D FT-ICR MS experiment was lower than conventional MS/MS, but MS/MS information is obtained for all ions in the sample regardless of selection and isolation. Finally, although all 2D FT-ICR MS peak assignments were made with the aid of 1D FT-ICR MS data, these results

  15. Isotope dilution inductively coupled plasma mass spectrometry

    International Nuclear Information System (INIS)

    The potential of isotope dilution inductively coupled plasma mass spectrometry (ICP-MS) was evaluated for the determination of trace amounts of uranium and thorium in silicate rocks. Compared with conventional isotope dilution methods using thermal ionization mass spectrometers, the major benefit is a large increase in sample through-put without a significant decrease in precision and accuracy. This results from direct liquid sampling at atmospheric pressure and from the capability of measuring isotope ratios on raw solutions, without chemical separation of the analytes from the matrix elements. Isotope dilution ICP-MS alleviates the need for matrix-matched standards. Further, it is insensitive to possible causes of intensity drift (e.g., clogging of the plasma/mass spectrometer interface and defocusing of the ion beam) and to chemical effects (e.g. oxide formulation). Results obtained on some international rock standards are in good agreement with recommended values. (author). 26 refs.; 1 fig., tabs

  16. Mass spectrometry of fluorocarbon-labeled glycosphingolipids

    DEFF Research Database (Denmark)

    Li, Yunsen; Arigi, Emma; Eichert, Heather;

    2010-01-01

    A method for generation of novel fluorocarbon derivatives of glycosphingolipids (GSLs) with high affinity for fluorocarbon phases has been developed, and their potential applications to mass spectrometry (MS)-based methodologies for glycosphingolipidomics have been investigated. Sphingolipid...... with subsequent per-N,O-methylation was established for the F-tagged Gb(3) Cer and purified gangliosides, and extensive mass spectra (MS(1) and MS(2)) consistent with all of the expected products were acquired. The potential use of F-tagged derivatives for a comprehensive MS based profiling application....... The methods described thus provide a new avenue for rapid GSL recovery or cleanup, potentially compatible with a variety of platforms for mass spectrometric profiling and structure analysis, as well as parallel analysis of functional interactions....

  17. Indexing and Searching a Mass Spectrometry Database

    Science.gov (United States)

    Besenbacher, Søren; Schwikowski, Benno; Stoye, Jens

    Database preprocessing in order to create an index often permits considerable speedup in search compared to the iterated query of an unprocessed database. In this paper we apply index-based database lookup to a range search problem that arises in mass spectrometry-based proteomics: given a large collection of sparse integer sets and a sparse query set, find all the sets from the collection that have at least k integers in common with the query set. This problem arises when searching for a mass spectrum in a database of theoretical mass spectra using the shared peaks count as similarity measure. The algorithms can easily be modified to use the more advanced shared peaks intensity measure instead of the shared peaks count. We introduce three different algorithms solving these problems. We conclude by presenting some experiments using the algorithms on realistic data showing the advantages and disadvantages of the algorithms.

  18. New directions for accelerator mass spectrometry technology

    International Nuclear Information System (INIS)

    The influence on accelerator mass spectrometry (AMS) of developments in other fields is reviewed and three examples are discussed in detail. The appropriate use of electric and magnetic analysers with small AMS systems (129I, for nuclear fuel monitoring and ocean circulation tracer studies. The inclusion of gas chromatography technology extends the capability of AMS to applications which require large numbers of samples with rapid turn-around. The adaptation of chemical reaction cell technology to negative ion beams adds new isobar selection capability to AMS and will permit analyses of isotopes such as 36Cl on small AMS systems. (author)

  19. Neutral particle Mass Spectrometry with Nanomechanical Systems

    CERN Document Server

    Sage, Eric; Alava, Thomas; Morel, Robert; Dupré, Cécilia; Hanay, Mehmet Selim; Duraffourg, Laurent; Masselon, Christophe; Hentz, Sébastien

    2014-01-01

    Current approaches to Mass Spectrometry (MS) necessarily rely on the ionization of the analytes of interest and subsequent spectrum interpretation is based on the mass-to-charge ratios of the ions. The resulting charge state distribution can be very complex for high-mass species which may hinder correct interpretation. A new form of MS analysis based on Nano-Electro-Mechanical Systems (NEMS) was recently demonstrated with high-mass ions. Thanks to a dedicated setup comprising both conventional time-of-flight MS (TOF-MS) and NEMS-MS in-situ, we show here for the first time that NEMS-MS analysis is insensitive to charge state: it provides one single peak regardless of the species charge state, highlighting effective clarification over existing MS analysis. All charged particles were thereafter removed from the beam electrostatically, and unlike TOF-MS, NEMS-MS retained its ability to perform mass measurements. This constitutes the first unequivocal measurement of mass spectra of neutral particles. This ability ...

  20. Simultaneous mass detection for direct inlet mass spectrometry

    International Nuclear Information System (INIS)

    The evolution of analytical techniques for application in trace analysis has led to interest in practical methods for real-time monitoring. Direct inlet mass spectrometry (DIMS) has been the subject of considerable activity in recent years. A DIMS instrument is described which consists of an inlet system designed to permit particles entrained in the inlet air stream to strike a hot, oxidized rhenium filament which serves as a surface ionization source. A mass analyzer and detection system then permits identification of the elemental composition of particulates which strike the filament

  1. Surface ionization mass spectrometry of opiates

    International Nuclear Information System (INIS)

    Key words: surface ionization, adsorption, heterogeneous reactions, surface ionization mass spectrometry, thermodesorption surface ionization spectroscopy, thermoemitter, opiates, extracts of biosamples. Subjects of study. The mass - spectrometric study of thermal - ion emission: surface ionization of opiates by on the surface of oxidized refractory metals. Purpose of work is to establish the regularities of surface ionization (SI) of multi-atomic molecule opiates and their mixtures develop the scientific base of SI methods for high sensitive and selective detection and analysis of these substances in the different objects, including biosamples. Methods of study: surface ionization mass spectrometry, thermodesorption surface ionization spectroscopy. The results obtained and their novelty. For the first time, SI of molecule opiates on the oxidized tungsten surface has been studied and their SI mass-spectra and temperature dependences of ion currents have been obtained, the characteristic heterogeneous reactions of an adsorbed molecules and the channels of monomolecular decays vibrationally-excited ions on their way in mass-spectrometry have been revealed, sublimation energy has been defined, the activation energy of Eact, of these decays has been estimated for given period of time. Additivity of the SI mass-spectra of opiate mixtures of has been established under conditions of joint opiate adsorption. High selectivity of SI allows the extracts of biosamples to be analyzed without their preliminary chromatographic separation. The opiates are ionized by SI with high efficiency (from 34 C/mol to 112 C/mol), which provides high sensitivity of opiate detection by SI/MS and APTDSIS methods from - 10-11 g in the samples under analysis. Practical value. The results of these studies create the scientific base for novel SI methods of high sensitive detection and analysis of the trace amounts of opiates in complicated mixtures, including biosamples without their preliminary

  2. Coincidence experiments in desorption mass spectrometry

    Science.gov (United States)

    Diehnelt, C. W.; English, R. D.; Van Stipdonk, M. J.; Schweikert, E. A.

    2002-06-01

    The detection of coincidental signals can enhance the amount of information available in desorption time-of-flight mass spectrometry (TOF-MS) by identifying physical, chemical and/or spatial correlations between secondary ions. Detection of coincidental emissions requires that the target surface be bombarded with individual primary ions (keV or MeV), each resolved in time and space. This paper will discuss the application of coincidence counting to TOF-MS to: extract the secondary ion mass spectrum and secondary ion yields from an organic target produced by a single primary ion type when multiple primary ions simultaneously impact the sample; examine the metastable dissociation pathways and decay fractions of organic secondary ions using an ion-neutral correlation method; and study the chemical microhomogeneity (on the sub-μm scale) of a surface composed of two chemically distinct species.

  3. Emerging Technologies in Mass Spectrometry Imaging

    CERN Document Server

    Jungmann, Julia H

    2013-01-01

    Mass spectrometry imaging (MSI) as an analytical tool for bio-molecular and bio-medical research targets, accurate compound localization and identification. In terms of dedicated instrumentation, this translates into the demand for more detail in the image dimension (spatial resolution) and in the spectral dimension (mass resolution and accuracy), preferably combined in one instrument. At the same time, large area biological tissue samples require fast acquisition schemes, instrument automation and a robust data infrastructure. This review discusses the analytical capabilities of an "ideal" MSI instrument for bio-molecular and bio-medical molecular imaging. The analytical attributes of such an ideal system are contrasted with technological and methodological challenges in MSI. In particular, innovative instrumentation for high spatial resolution imaging in combination with high sample throughput is discussed. Detector technology that targets various shortcomings of conventional imaging detector systems is hig...

  4. Mass Spectrometry for Rapid Characterization of Microorganisms

    Science.gov (United States)

    Demirev, Plamen A.; Fenselau, Catherine

    2008-07-01

    Advances in instrumentation, proteomics, and bioinformatics have contributed to the successful applications of mass spectrometry (MS) for detection, identification, and classification of microorganisms. These MS applications are based on the detection of organism-specific biomarker molecules, which allow differentiation between organisms to be made. Intact proteins, their proteolytic peptides, and nonribosomal peptides have been successfully utilized as biomarkers. Sequence-specific fragments for biomarkers are generated by tandem MS of intact proteins or proteolytic peptides, obtained after, for instance, microwave-assisted acid hydrolysis. In combination with proteome database searching, individual biomarker proteins are unambiguously identified from their tandem mass spectra, and from there the source microorganism is also identified. Such top-down or bottom-up proteomics approaches permit rapid, sensitive, and confident characterization of individual microorganisms in mixtures and are reviewed here. Examples of MS-based functional assays for detection of targeted microorganisms, e.g., Bacillus anthracis, in environmental or clinically relevant backgrounds are also reviewed.

  5. Damping effects in Penning trap mass spectrometry

    CERN Document Server

    George, S; Kowalska, M; Dworschak, M; Neidherr, D; Blaum, K; Schweikhard, L; Ramirez, E M; Breitenfeldt, M; Kretzschmar, M; Herfurth, F; Schwarz, S; Herlert, A

    2011-01-01

    Collisions of ions with residual gas atoms in a Penning trap can have a strong influence on the trajectories of the ions, depending on the atom species and the gas pressure. We report on investigations of damping effects in time-of-flight ion-cyclotron resonance mass spectrometry with the Penning trap mass spectrometers ISOLTRAP at ISOLDE/CERN (Geneva, Switzerland) and SHIPTRAP at GSI (Darmstadt, Germany). The work focuses on the interconversion of the magnetron and cyclotron motional modes, in particular the modification of the resonance profiles for quadrupolar excitation due to the damping effect of the residual gas. Extensive experiments have been performed with standard and Ramsey excitation schemes. The results are in good agreement with predictions obtained by analytical continuation of the formulae for the undamped case.

  6. Recent development in isotope ratio mass spectrometry

    International Nuclear Information System (INIS)

    Within the limited of this review the following topics will be briefly discussed: a) Accuracy, precision, internal relative standard deviation (RISD) and external relative standard deviation (RESD) of isotope ratio measurements. With advanced instrumentation and use of standard reference materials, high accuracy and RESD = 0.002% (or better) may be achieved; b) The advantages of modern automatic isotope ratio mass spectrometer are briefly described. Computer controlled operation and data acquisition, and multiple ion collection are the recent important improvement; c) The isotopic fractionation during the course of isotope ratio measurement is considered as a major source of errors in thermal ionization of metallic elements. The phenomenon in strontium, neodymium, uranium, lead and calcium and methods to correct the measured data are discussed; d) Applications of isotope ratio mass spectrometry in atomic weight determinations, the isotope dilution technique, isotope geology, and isotope effects in biological systems are described together with specific applications in various research and technology area. (author)

  7. Accelerator Mass Spectrometry: practice and prospects

    International Nuclear Information System (INIS)

    Accelerator mass spectrometry (AMS) is an established technique for detecting rare isotopes, at isotope ratios in the range ∼10-12 to ∼10-15. As the name indicates, the technique uses an accelerator to produce high-energy ion beams, which are then analyzed by mass spectrometry. AMS is not only useful for determining anthropogenic or cosmogenic isotopes, but can also be used for trace element analysis, because every element except In has an isotope for which no other element has a stable isobar. This is significant for semiconductors and mineral analysis. The success of AMS arises from three factors: the use of negative ions at injection, which can suppress isobars (e.g.in the case of C-14); the stripping process at the accelerator terminal, which destroys molecular ions; and the high energy of the accelerated particles, which, by overcoming detector background, permits the use of sensitive particle identification and detection techniques. The 'standard' AMS isotopes are Be-10, C-14, Al-26, Cl-36, Ca-41, Ni-59, I-129. Prospective isotopes include Mn-53, Fe-60, Se-79, Tc-99, Pd-107, Sn-126, Cs-135. The following developed or prospective techniques are briefly discussed: total stripping; resonant ionization; static electric field ionization; the gas-filled magnet; isobaric laundering; negative molecular ions; laser photodetachment; X-ray identification. 9 refs., 4 tabs

  8. Mass Spectrometry on Future Mars Landers

    Science.gov (United States)

    Brinckerhoff, W. B.; Mahaffy, P. R.

    2011-01-01

    Mass spectrometry investigations on the 2011 Mars Science Laboratory (MSL) and the 2018 ExoMars missions will address core science objectives related to the potential habitability of their landing site environments and more generally the near-surface organic inventory of Mars. The analysis of complex solid samples by mass spectrometry is a well-known approach that can provide a broad and sensitive survey of organic and inorganic compounds as well as supportive data for mineralogical analysis. The science value of such compositional information is maximized when one appreciates the particular opportunities and limitations of in situ analysis with resource-constrained instrumentation in the context of a complete science payload and applied to materials found in a particular environment. The Sample Analysis at Mars (SAM) investigation on MSL and the Mars Organic Molecule Analyzer (MOMA) investigation on ExoMars will thus benefit from and inform broad-based analog field site work linked to the Mars environments where such analysis will occur.

  9. A quantitation method for mass spectrometry imaging.

    Science.gov (United States)

    Koeniger, Stormy L; Talaty, Nari; Luo, Yanping; Ready, Damien; Voorbach, Martin; Seifert, Terese; Cepa, Steve; Fagerland, Jane A; Bouska, Jennifer; Buck, Wayne; Johnson, Robert W; Spanton, Stephen

    2011-02-28

    A new quantitation method for mass spectrometry imaging (MSI) with matrix-assisted laser desorption/ionization (MALDI) has been developed. In this method, drug concentrations were determined by tissue homogenization of five 10 µm tissue sections adjacent to those analyzed by MSI. Drug levels in tissue extracts were measured by liquid chromatography coupled to tandem mass spectrometry (LC/MS/MS). The integrated MSI response was correlated to the LC/MS/MS drug concentrations to determine the amount of drug detected per MSI ion count. The study reported here evaluates olanzapine in liver tissue. Tissue samples containing a range of concentrations were created from liver harvested from rats administered a single dose of olanzapine at 0, 1, 4, 8, 16, 30, or 100 mg/kg. The liver samples were then analyzed by MALDI-MSI and LC/MS/MS. The MALDI-MSI and LC/MS/MS correlation was determined for tissue concentrations of ~300 to 60,000 ng/g and yielded a linear relationship over two orders of magnitude (R(2) = 0.9792). From this correlation, a conversion factor of 6.3 ± 0.23 fg/ion count was used to quantitate MSI responses at the pixel level (100 µm). The details of the method, its importance in pharmaceutical analysis, and the considerations necessary when implementing it are presented. PMID:21259359

  10. [Application of mass spectrometry in mycobacteria].

    Science.gov (United States)

    Alcaide, Fernando; Palop-Borrás, Begoña; Domingo, Diego; Tudó, Griselda

    2016-06-01

    To date, more than 170 species of mycobacteria have been described, of which more than one third may be pathogenic to humans, representing a significant workload for microbiology laboratories. These species must be identified in clinical practice, which has long been a major problem due to the shortcomings of conventional (phenotypic) methods and the limitations and complexity of modern methods largely based on molecular biology techniques. The aim of this review was to briefly describe different aspects related to the use of MALDI-TOF (matrix-assisted laser desorption ionization time-of-flight) mass spectrometry (MS) for the identification of mycobacteria. Several difficulties are encountered with the use of this methodology in these microorganisms mainly due to the high pathogenicity of some mycobacteria and the peculiar structure of their cell wall, requiring inactivation and special protein extraction protocols. We also analysed other relevant aspects such as culture media, the reference methods employed (gold standard) in the final identification of the different species, the cut-off used to accept data as valid, and the databases of the different mass spectrometry systems available. MS has revolutionized diagnosis in modern microbiology; however, specific improvements are needed to consolidate the use of this technology in mycobacteriology. PMID:27389290

  11. Cs+ ion source for secondary ion mass spectrometry

    International Nuclear Information System (INIS)

    Various types of cesium ionization sources currently used in secondary ion mass spectrometry are briefly reviewed, followed by a description of the design and performance of a novel, thermal surface ionization Cs+ source developed in this laboratory. The source was evaluated for secondary ion mass spectrometry applications using the COALA ion microprobe mass analyzer. (orig.)

  12. Ambient ionization mass spectrometry: A tutorial

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Min-Zong; Cheng, Sy-Chi; Cho, Yi-Tzu [Department of Chemistry, National Sun Yat-Sen University, Kaohsiung, Taiwan (China); Shiea, Jentaie, E-mail: jetea@fac.nsysu.edu.tw [Department of Chemistry, National Sun Yat-Sen University, Kaohsiung, Taiwan (China); Cancer Center, Kaohsiung Medical University, Kaohsiung, Taiwan (China)

    2011-09-19

    Highlights: {yields} Ambient ionization technique allows the direct analysis of sample surfaces with little or no sample pretreatment. {yields} We sort ambient ionization techniques into three main analytical strategies, direct ionization, direct desorption/ionization, and two-step ionization. {yields} The underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques are described and compared. - Abstract: Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.

  13. Plasma desorption mass spectrometry of biomolecules

    International Nuclear Information System (INIS)

    In the present work the positive and negative ion mass spectrum of nine xenobiotica metabolites conjugated with N-acetyl-cysteine (=mercapturic acids) were investigated. Whereas in the positive ion spectra most fragment ions are correlated to the backbone of the mercapturic acids the negative ion spectra were dominated by the ionized side chain. Further the peptidoglycans of the cell walls of the cyanelles of Cyanophora paradoxa of Escherichia coli were characterized by high performance liquid chromatography/plasma desorption mass spectroscopy off line. Some contributions were also done for the elucidation of suppression effects in the mass spectrometric mixture analysis of peptides. These suppression effects were correlated to peptide hydrophobicity / hydrophilicity, peptide net charge and peptide gas phase basicity. A very interesting contribution to this work was the development of a new, chloroform-resistant matrix for plasma desorption mass spectrometry with the use of the low molecular weight compound 3-(3-pyridyl) acrylic acid. With this matrix material a wide variety of different classes of compounds was investigated including peptides, glycopeptides and phospholipides. (author)

  14. Mass spectrometry for high-throughput metabolomics analysis of urine

    OpenAIRE

    Abdelrazig, Salah M.A.

    2015-01-01

    Direct electrospray ionisation-mass spectrometry (direct ESI-MS), by omitting the chromatographic step, has great potential for application as a high-throughput approach for untargeted urine metabolomics analysis compared to liquid chromatography-mass spectrometry (LC-MS). The rapid development and technical innovations revealed in the field of ambient ionisation MS such as nanoelectrospray ionisation (nanoESI) chip-based infusion and liquid extraction surface analysis mass spectrometry (LESA...

  15. A brief review of mass spectrometry in cultural heritage

    OpenAIRE

    Matos, António Pires de; Marçalo, Joaquim

    2008-01-01

    In the last decade the great development of mass spectrometry techniques made them ideal tools for the characterization of many materials containing either inorganic or organic compounds. Pigments in paints, main constituents of glass and ceramic objects, enamels and glazes can be characterized by inorganic mass spectrometry. Temperas, varnishes and adhesives can be studied by organic mass spectrometry; compounds as glycerides, proteins and sugars can also be easily analysed. ...

  16. Multinozzle Emitter Arrays for Nanoelectrospray Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-06-16

    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.

  17. Structural analyses of sucrose laurate regioisomers by mass spectrometry techniques

    DEFF Research Database (Denmark)

    Lie, Aleksander; Stensballe, Allan; Pedersen, Lars Haastrup

    2015-01-01

    6- And 6′-O-lauroyl sucrose were isolated and analyzed by matrix-assisted laser desorption/ionisation (MALDI) time-of-flight (TOF) mass spectrometry (MS), Orbitrap high-resolution (HR) MS, and electrospray-ionization (ESI) tandem mass spectrometry (MS/MS). The analyses aimed to explore the physic......6- And 6′-O-lauroyl sucrose were isolated and analyzed by matrix-assisted laser desorption/ionisation (MALDI) time-of-flight (TOF) mass spectrometry (MS), Orbitrap high-resolution (HR) MS, and electrospray-ionization (ESI) tandem mass spectrometry (MS/MS). The analyses aimed to explore...

  18. Positron ionization mass spectrometry: An organic mass spectrometrist's view

    International Nuclear Information System (INIS)

    We are currently engaged in a research program to study the ionization of polyatomic molecules by positrons. We refer to the technique herein as positron ionization mass spectrometry which includes all of the possible ionization mechanisms. In the course of this work we will attempt to characterize each of the important ionization mechanisms. Our ultimate objective is to explore the use of positron ionization mass spectrometry for chemical analysis. Several other groups have also begun to pursue aspects of positron ionization in parallel with our efforts although with somewhat different approaches and, perhaps with slightly different emphases. Recently, for example, Passner et al. have acquired mass spectra in a Penning trap resulting from the ionization of several different polyatomic molecules by near thermal kinetics energy positrons. Our research involves studying the different types of ionizing interactions of positrons with organic molecules, as a function of positron kinetic energy. For ionization of polyatomic molecules by positrons, several possible mechanisms are apparent from lifetime and scattering cross-section data. These mechanisms are discussed

  19. Analysis of Protein Phosphorylation Using Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    Pao-Chi Liao

    2008-06-01

    Full Text Available Protein phosphorylation has been known to be a pivotalmodification regulating many cellular activities and functions.Except for several conventional techniques, mass spectrometry-based strategies are increasingly considered as vital toolsthat can be utilized to characterize phosphorylated peptides orproteins. In this article, we summarized currently availablemass spectrometry-based techniques for the analysis of phosphorylation.Due to the low abundance of phosphopeptides,enrichment steps such as specific antibodies, immobilizedmetal affinity chromatography, and specific tags are crucial fortheir use in detection. Since the non-specific binding of theenrichment techniques are constantly of major concerns, phosphatasetreatment, neutral loss scan, or precursor ion scanenable the recognition of the phosphopeptide signals. In addition,quantitative methods including isotope labeling and masstags are also discussed. Phosphoproteome analysis seems to provide elucidation of signalingnetworks and global decipherment of cell activities, which require powerful analytical methodsfor complete and routine identification of the phosphorylation event. Despite thatnumerous approaches have been exploited, comprehensive analysis of protein phosphorylationremains a challenging task. With the progressively more improvements of instrumentsand methodologies, we can foresee the implementation of a comprehensive approach for theanalysis of phosphorylation states of proteins.

  20. [Application of mass spectrometry in mycology].

    Science.gov (United States)

    Quiles Melero, Inmaculada; Peláez, Teresa; Rezusta López, Antonio; Garcia-Rodríguez, Julio

    2016-06-01

    MALDI-TOF (matrix-assisted laser desorption ionization time-of-flight) mass spectrometry (MS) is becoming an essential tool in most microbiology laboratories. At present, by using a characteristic fungal profile obtained from whole cells or through simple extraction protocols, MALDI-TOF MS allows the identification of pathogenic fungi with a high performance potential. This methodology decreases the laboratory turnaround time, optimizing the detection of mycoses. This article describes the state-of-the-art of the use of MALDI-TOF MS for the detection of human clinical fungal pathogens in the laboratory and discusses the future applications of this technology, which will further improve routine mycological diagnosis. PMID:27389289

  1. Actinides analysis by accelerator mass spectrometry

    International Nuclear Information System (INIS)

    At the ANTARES accelerator at ANSTO a new beamline has been commissioned, incorporating new magnetic and electrostatic analysers, to optimise the efficiency for Actinides detection by Accelerator Mass Spectrometry (AMS). The detection of Actinides, particularly the isotopic ratios of uranium and plutonium, provide unique signatures for nuclear safeguards purposes. We are currently engaged in a project to evaluate the application of AMS to the measurement of Actinides in environmental samples for nuclear safeguards. Levels of certain fission products, Actinides and other radioactive species can be used as indicators of undeclared nuclear facilities or activities, either on-going or in the past Other applications of ultra-sensitive detection of Actinides are also under consideration. neutron-attenuation images of a porous reservoir rock

  2. Electrostatic-spray ionization mass spectrometry.

    Science.gov (United States)

    Qiao, Liang; Sartor, Romain; Gasilova, Natalia; Lu, Yu; Tobolkina, Elena; Liu, Baohong; Girault, Hubert H

    2012-09-01

    An electrostatic-spray ionization (ESTASI) method has been used for mass spectrometry (MS) analysis of samples deposited in or on an insulating substrate. The ionization is induced by a capacitive coupling between an electrode and the sample. In practice, a metallic electrode is placed close to but not in direct contact with the sample. Upon application of a high voltage pulse to the electrode, an electrostatic charging of the sample occurs leading to a bipolar spray pulse. When the voltage is positive, the bipolar spray pulse consists first of cations and then of anions. This method has been applied to a wide range of geometries to emit ions from samples in a silica capillary, in a disposable pipet tip, in a polymer microchannel, or from samples deposited as droplets on a polymer plate. Fractions from capillary electrophoresis were collected on a polymer plate for ESTASI MS analysis. PMID:22876737

  3. Matrix effects in plasma desorption mass spectrometry

    Science.gov (United States)

    Bouchonnet, Stephane; Hoppilliard, Yannik; Mauriac, Christine

    1993-07-01

    In Plasma Desorption (PD) Mass Spectrometry, valine/matrix mixtures have been studied in order to specify the influence of a matrix during the desorption-ionization (DI) of volume. The different matrices used were carboxylic acids (barbituric acid, 2-chloronicotinic acid, 3-chloropropionic acid, cysteine, pentafluorobenzoic acid, picric acid, sinapinic acid) and CsI, an inorganic salt. Three effects are proposed to explain the influence of each matrix on the DI of valine: a physical effect, a chemical effect and a (de)cationization effect. Thermodynamic diagrams are proposed to explain each effect. Each matrix gives either a specific effect or a superimposition of effects. The concentration effect of matrices is also studied.

  4. Radiocarbon dating with accelerator mass spectrometry

    International Nuclear Information System (INIS)

    Radiocarbon dating by means of accelerator mass spectrometry (AMS) has two great advantages over conventional dating: 1) much smaller samples can be handled and 2) counting time is significantly shorter. Three examples are given for Holocene-age material from east-central Ellesmere Island. The results demonstrate the potential use of this technique as a powerful research tool in studies of Quaternary chronology. Individual fragments of marine shells as small as 0.1 g have been dated successfully at the IsoTrace Laboratory, University of Toronto. In the case of an aquatic moss from a lake sediment core, an increment 0.5 cm thick could be used instead of a 5 cm-thick slice, thus allowing a much more precise estimate of the onset of organic sedimentation

  5. China's food safety regulation and mass spectrometry.

    Science.gov (United States)

    Chu, Xiaogang; Zhang, Feng; Nie, Xuemei; Wang, Wenzhi; Feng, Feng

    2011-01-01

    Food safety is essential to people's health and people's livelihood. To ensure that food safety is an important current strategy of the governments, both regulation and standardization are important support for implementing this strategic initiative effectively. The status and prospects of China's food laws, regulations, and standards system are introduced. China now has established a complete law regime providing a sound foundation and good environment for keeping the health of people, maintaining the order of social economy and promoting the international trade of food. At the same time, it is undoubtedly important to strengthen standardization and improve the food safety standards system. In the administration of food safety, mass spectrometry is becoming more and more important and many analytical methods developed in China are based on its application. PMID:21643903

  6. Urban enhancement of PM10 bioaerosol tracers relative to background locations in the Midwestern United States

    Science.gov (United States)

    Rathnayake, Chathurika M.; Metwali, Nervana; Baker, Zach; Jayarathne, Thilina; Kostle, Pamela A.; Thorne, Peter S.; O'Shaughnessy, Patrick T.; Stone, Elizabeth A.

    2016-05-01

    Bioaerosols are well-known immune-active particles that exacerbate respiratory diseases. Human exposures to bioaerosols and their resultant health impacts depend on their ambient concentrations, seasonal and spatial variation, and copollutants, which are not yet widely characterized. In this study, chemical and biological tracers of bioaerosols were quantified in respirable particulate matter (PM10) collected at three urban and three background sites in the Midwestern United States across four seasons in 2012. Endotoxins from Gram-negative bacteria (and a few Gram-positive bacteria), water-soluble proteins, and tracers for fungal spores (fungal glucans, arabitol, and mannitol) were ubiquitous and showed significant seasonal variation and dependence on temperature. Fungal spores were elevated in spring and peaked in summer, following the seasonal growing cycle, while endotoxins peaked in autumn during the row crop harvesting season. Paired comparisons of bioaerosols in urban and background sites revealed significant urban enhancements in PM10, fungal glucans, endotoxins, and water-soluble proteins relative to background locations, such that urban populations have a greater outdoor exposure to bioaerosols. These bioaerosols contribute, in part, to the urban excesses in PM10. Higher bioaerosol mass fractions in urban areas relative to background sites indicate that urban areas serve as a source of bioaerosols. Similar urban enhancements in water-soluble calcium and its correlation with bioaerosol tracers point toward windblown soil as an important source of bioaerosols in urban areas.

  7. Mass spectrometry of acoustically levitated droplets.

    Science.gov (United States)

    Westphall, Michael S; Jorabchi, Kaveh; Smith, Lloyd M

    2008-08-01

    Containerless sample handling techniques such as acoustic levitation offer potential advantages for mass spectrometry, by eliminating surfaces where undesired adsorption/desorption processes can occur. In addition, they provide a unique opportunity to study fundamental aspects of the ionization process as well as phenomena occurring at the air-droplet interface. Realizing these advantages is contingent, however, upon being able to effectively interface levitated droplets with a mass spectrometer, a challenging task that is addressed in this report. We have employed a newly developed charge and matrix-assisted laser desorption/ionization (CALDI) technique to obtain mass spectra from a 5-microL acoustically levitated droplet containing peptides and an ionic matrix. A four-ring electrostatic lens is used in conjunction with a corona needle to produce bursts of corona ions and to direct those ions toward the droplet, resulting in droplet charging. Analyte ions are produced from the droplet by a 337-nm laser pulse and detected by an atmospheric sampling mass spectrometer. The ion generation and extraction cycle is repeated at 20 Hz, the maximum operating frequency of the laser employed. It is shown in delayed ion extraction experiments that both positive and negative ions are produced, behavior similar to that observed for atmospheric pressure matrix-assisted laser absorption/ionization. No ion signal is observed in the absence of droplet charging. It is likely, although not yet proven, that the role of the droplet charging is to increase the strength of the electric field at the surface of the droplet, reducing charge recombination after ion desorption. PMID:18582090

  8. Liquid chromatography - mass spectrometry analysis of pharmaceuticals

    International Nuclear Information System (INIS)

    The drugs represent mostly non-volatile and thermally labile solutes, often available only in small amounts like it is in case of radiopharmaceuticals. Therefor, the favourable separation techniques for such compounds are HPLC, capillary electrophoresis and also TLC 1. Liquid chromatography with mass spectrometric detector (LC/MS) is especially powerful for their microanalysis. Mass spectrometry separating the ions in high vacuum was presumably used as detector for gas chromatography effluent but the on-line coupling with liquid eluant flow 0.1-1 mL/min is far more challenging. New types of ion sources were constructed for simultaneous removal of solvent and ionisation of solutes at atmospheric pressure (API). At present, a relatively wide choice of successfully designed commercial equipment is available either for small organic molecules and larger biomolecules (Perkin-Elmer, Agilent, Jeol, Bruker Daltonics, ThermoQuest, Shimadzu). The features of the LC/MS systems are presented. LC/MS as a new quality control tool for [F-18]fluorodeoxyglucose (FDG) radiopharmaceutical, which has became the most spread radiopharmaceutical for positron emission tomography (PET), was proposed. Other applications of the LC/MS are reviewed. (author)

  9. Compressed sensing in imaging mass spectrometry

    Science.gov (United States)

    Bartels, Andreas; Dülk, Patrick; Trede, Dennis; Alexandrov, Theodore; Maaß, Peter

    2013-12-01

    Imaging mass spectrometry (IMS) is a technique of analytical chemistry for spatially resolved, label-free and multipurpose analysis of biological samples that is able to detect the spatial distribution of hundreds of molecules in one experiment. The hyperspectral IMS data is typically generated by a mass spectrometer analyzing the surface of the sample. In this paper, we propose a compressed sensing approach to IMS which potentially allows for faster data acquisition by collecting only a part of the pixels in the hyperspectral image and reconstructing the full image from this data. We present an integrative approach to perform both peak-picking spectra and denoising m/z-images simultaneously, whereas the state of the art data analysis methods solve these problems separately. We provide a proof of the robustness of the recovery of both the spectra and individual channels of the hyperspectral image and propose an algorithm to solve our optimization problem which is based on proximal mappings. The paper concludes with the numerical reconstruction results for an IMS dataset of a rat brain coronal section.

  10. Mass spectrometry accuracy improvement using two tracers

    International Nuclear Information System (INIS)

    The accuracy of the isotopic analyses performed by thermoionization mass spectrometry is limited by the effects of isotopic fractionation that occurs during the evaporation of the sample placed on the filament. It results in a continuous change over time of the isotopic compound determined. In order to determine the factor enabling the isotopic fractionation of the uranium to be adjusted, the mass spectrometers are calibrated by using isotopic standards of uranium. The adjusting factor K, defined as 235U/238U theoretical / 235U/238U determined is independent of the value of the 235U/238U ratio, but it has a relative random error of around +-0.28 to +-0.5%. The completion of very accurate isotopic analyses therefore calls for the application of a severe operational mode. Automation of all the sequences of the analysis appears to be the only valid method for attaining this objective, but it remains a very costly solution. These difficulties motivated the studies on the use of an internal standard for directly correcting the effects of isotopic fractionation, constituted of a 233 and 236 uranium solution of which the 236/233 ratio was determined accurately beforehand

  11. Compressed sensing in imaging mass spectrometry

    International Nuclear Information System (INIS)

    Imaging mass spectrometry (IMS) is a technique of analytical chemistry for spatially resolved, label-free and multipurpose analysis of biological samples that is able to detect the spatial distribution of hundreds of molecules in one experiment. The hyperspectral IMS data is typically generated by a mass spectrometer analyzing the surface of the sample. In this paper, we propose a compressed sensing approach to IMS which potentially allows for faster data acquisition by collecting only a part of the pixels in the hyperspectral image and reconstructing the full image from this data. We present an integrative approach to perform both peak-picking spectra and denoising m/z-images simultaneously, whereas the state of the art data analysis methods solve these problems separately. We provide a proof of the robustness of the recovery of both the spectra and individual channels of the hyperspectral image and propose an algorithm to solve our optimization problem which is based on proximal mappings. The paper concludes with the numerical reconstruction results for an IMS dataset of a rat brain coronal section. (paper)

  12. Mass spectrometry for real-time quantitative breath analysis

    Czech Academy of Sciences Publication Activity Database

    Smith, D.; Španěl, Patrik; Herbig, J.; Beauchamp, J.

    2014-01-01

    Roč. 8, č. 2 (2014), 027101. ISSN 1752-7155 Institutional support: RVO:61388955 Keywords : breath analysis * proton transfer reaction mass spectrometry * selected ion flow tube mass spectrometry Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.631, year: 2014

  13. The mass spectrometry analysis of secondary metabolites of Pseudallescheria boydii

    Czech Academy of Sciences Publication Activity Database

    Nedvěd, Jan; Žabka, Martin; Havlíček, Vladimír; Sklenář, Jan; Olšovská, Jana

    Ustron : Verlag, 2006, s. 46-46. [Informal Meeting on Mass Spectrometry /24./. Ustroń (PL), 14.05.2006-18.05.2006] R&D Projects: GA MŠk LC545; GA ČR GA203/04/0799 Institutional research plan: CEZ:AV0Z50200510 Keywords : mass spectrometry * pseudallescheria boydii Subject RIV: EE - Microbiology, Virology

  14. Bioaerosol exposure assessment in the workplace: the past, present and recent advances.

    Science.gov (United States)

    Eduard, Wijnand; Heederik, Dick; Duchaine, Caroline; Green, Brett James

    2012-02-01

    Louis Pasteur described the first measurements of airborne microorganisms in 1861. A century later, the inhalation of spores from thermophilic microorganisms was shown to induce attacks of farmers' lung in patients with this disease, while endotoxins originating from Gram-negative bacteria were identified as causal agents for byssinosis in cotton workers. Further epidemiological and toxicological studies have demonstrated inflammatory, respiratory, and pathogenic effects following exposure to bioaerosols. Exposure assessment is often confounded by the diversity of bioaerosol agents in the environment. Microorganisms represent a highly diverse group that may vary in toxicity. Fungi and bacteria are mainly quantified as broad groups using a variety of viable and nonviable assessment methods. Endotoxins and β(1 → 3)-glucans are mainly measured by their activity in the Limulus amebocyte lysate assay, enzymes by immuno-chemical methods and mycotoxins by liquid chromatography-mass spectrometry. Few health-based occupational exposure limits (OELs) are available for risk assessment. For endotoxins, a health-based OEL of 90 endotoxin units m(-3) has been proposed in the Netherlands. A criteria document for fungal spores recently proposed a lowest observed effect level of 100,000 spores m(-3) for non-pathogenic and non-mycotoxin producing species based on inflammatory respiratory effects. Recent developments in bioaerosol assessment were presented at the Organic Dust Tromsø Symposium including molecular biological methods for infectious agents and organisms that are difficult to cultivate; studies of submicronic and hyphal fragments from fungi; the effect of biodiversity of microorganisms in asthma studies; and new/improved measurement methods for fungal antigens, enzymes and allergens. Although exposure assessment of bioaerosol agents is complex and limited by the availability of methods and criteria, the field is rapidly evolving. PMID:22267210

  15. Clinical Mass Spectrometry: Achieving Prominence in Laboratory Medicine

    Energy Technology Data Exchange (ETDEWEB)

    Annesley, Thomas M.; Cooks, Robert G.; Herold, David A.; Hoofnagle, Andrew N.

    2016-01-04

    Each year the journal Clinical Chemistry publishes a January special issue on a topic that is relevant to the laboratory medicine community. In January 2016 the topic is mass spectrometry, and the issue is entitled “Clinical Mass Spectrometry: Achieving Prominence in Laboratory Medicine”. One popular feature in our issues is a Q&A on a topic, clearly in this case mass spectrometry. The journal is assembling a panel of 5-6 experts from various areas of mass spectrometry ranging from instrument manufacturing to practicing clinical chemists. Dick Smith is one of the scientist requested to participate in this special issue Q&A on Mass Spectrometry. The Q&A Transcript is attached

  16. US Food and Drug Administration Perspectives on Clinical Mass Spectrometry.

    Science.gov (United States)

    Lathrop, Julia Tait; Jeffery, Douglas A; Shea, Yvonne R; Scholl, Peter F; Chan, Maria M

    2016-01-01

    Mass spectrometry-based in vitro diagnostic devices that measure proteins and peptides are underutilized in clinical practice, and none has been cleared or approved by the Food and Drug Administration (FDA) for marketing or for use in clinical trials. One way to increase their utilization is through enhanced interactions between the FDA and the clinical mass spectrometry community to improve the validation and regulatory review of these devices. As a reference point from which to develop these interactions, this article surveys the FDA's regulation of mass spectrometry-based devices, explains how the FDA uses guidance documents and standards in the review process, and describes the FDA's previous outreach to stakeholders. Here we also discuss how further communication and collaboration with the clinical mass spectrometry communities can identify opportunities for the FDA to provide help in the development of mass spectrometry-based devices and enhance their entry into the clinic. PMID:26553791

  17. Eleventh ISMAS triennial international conference on mass spectrometry

    International Nuclear Information System (INIS)

    Mass spectrometry is an important analytical tool and finds applications in almost all branches of science and technology. These include Physics, Chemistry, Biology, Material Science, Geology, Nuclear Science, Industry, Oceanography, Environment, Earth and Planetary Sciences, Cosmo and Geo-Chronology etc. Innovations in the designs of mass spectrometers coupled with new ionization techniques have further strengthened the capabilities of mass spectrometry for analyzing all types of molecules including thermally labile and non-volatile at concentrations down to femtogram levels. The applications of mass spectrometry to the biomedical sciences have provided a unique, easy and fast approach to genomics, proteomics and metabolomics. The availability of different types of mass spectrometers for inorganic elemental and isotopic composition determination have strengthened the role of mass spectrometry for analyzing all elements starting from hydrogen onwards. It is now possible to carry out speciation analysis using electrospray mass spectrometry. The introduction of Accelerator based Mass Spectrometry in the area of health sciences has further demonstrated the usefulness of fundamental research in mass spectrometry. Papers relevant to INIS are indexed separately

  18. Illustrating the Concepts of Isotopes and Mass Spectrometry in Introductory Courses: A MALDI-TOF Mass Spectrometry Laboratory Experiment

    Science.gov (United States)

    Dopke, Nancy Carter; Lovett, Timothy Neal

    2007-01-01

    Mass spectrometry is a widely used and versatile tool for scientists in many different fields. Soft ionization techniques such as matrix-assisted laser desorption/ionization (MALDI) allow for the analysis of biomolecules, polymers, and clusters. This article describes a MALDI mass spectrometry experiment designed for students in introductory…

  19. Identification of Unknown Contaminants in Water Samples from ISS Employing Liquid Chromatography/Mass Spectrometry/Mass Spectrometry

    Science.gov (United States)

    Rutz, Jeffrey A.; Schultz, John R.

    2008-01-01

    Mass Spectrometry/Mass Spectrometry (MS/MS) is a powerful technique for identifying unknown organic compounds. For non-volatile or thermally unstable unknowns dissolved in liquids, liquid chromatography/mass spectrometry/mass spectrometry (LC/MS/MS) is often the variety of MS/MS used for the identification. One type of LC/MS/MS that is rapidly becoming popular is time-of-flight (TOF) mass spectrometry. This technique is now in use at the Johnson Space Center for identification of unknown nonvolatile organics in water samples from the space program. An example of the successful identification of one unknown is reviewed in detail in this paper. The advantages of time-of-flight instrumentation are demonstrated through this example as well as the strategy employed in using time-of-flight data to identify unknowns.

  20. Detection of Gunshot Residues Using Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    Regina Verena Taudte

    2014-01-01

    Full Text Available In recent years, forensic scientists have become increasingly interested in the detection and interpretation of organic gunshot residues (OGSR due to the increasing use of lead- and heavy metal-free ammunition. This has also been prompted by the identification of gunshot residue- (GSR- like particles in environmental and occupational samples. Various techniques have been investigated for their ability to detect OGSR. Mass spectrometry (MS coupled to a chromatographic system is a powerful tool due to its high selectivity and sensitivity. Further, modern MS instruments can detect and identify a number of explosives and additives which may require different ionization techniques. Finally, MS has been applied to the analysis of both OGSR and inorganic gunshot residue (IGSR, although the “gold standard” for analysis is scanning electron microscopy with energy dispersive X-ray microscopy (SEM-EDX. This review presents an overview of the technical attributes of currently available MS and ionization techniques and their reported applications to GSR analysis.

  1. Laser-induced electron capture mass spectrometry

    Science.gov (United States)

    Wang; Giese

    2000-02-15

    Two techniques are reported for detection of electrophorederivatized compounds by laser-induced electron capture time-of-flight mass spectrometry (LI-EC-TOF-MS). In both cases, a nitrogen laser is used to induce the electron capture. The analyte is deposited in a matrix consisting of a compound with a low ionization potential such as benzo[ghi]perylene in the first technique, where the electron for electron capture apparently comes from this matrix. In the second technique, the analyte is deposited on a silver surface in the absence of matrix. It seems that "monoenergetic" ions instantly desorb from the target surface in the latter case, since the peak width in the continuous extraction mode essentially matches the pulse width of the laser (4 ns). Ten picomoles of 3-O-(pentafluorobenzyl)-alpha-estradiol were detected at a S/N > or = 50, where the spot size of the laser was approximately 0.25% of the sample spot. It is attractive that simple conditions can enable sensitive detection of electrophores on routine TOF-MS equipment. The technique can be anticipated to broaden the range of analytes in both polarity and size that can be detected by EC-MS relative to the range for GC/EC-MS. PMID:10701262

  2. Accelerator mass spectrometry for radiocarbon dating

    International Nuclear Information System (INIS)

    Accelerator mass spectrometry (AMS) has been used routinely for radiocarbon measurements for several years. This thesis describes theoretical work to understand the reasons for low accuracy and range and offers practical solutions. The production and transport of the ions used in the measurements are found to be the most crucial stages in the process. The theories behind ion production by sputtering are discussed and applied to the specific case of carbon sputtered by caesium. Experimental evidence is also examined in relation to the theories. The phenomena of space charge and lens aberrations are discussed along with the interaction between ion beams and gas molecules in the vacuum. Computer programs for calculating phase space transformations are then described; these are designed to help investigations of the effects of space charge and aberrations on AMS measurements. Calculations using these programs are discussed in relation both to measured ion beam profiles in phase space and to the current dependent transmission of ions through the Oxford radiocarbon accelerator. Improvements have been made to this accelerator and these are discussed in the context of the calculations. C- ions are produced directly from carbon dioxide at the Middleton High Intensity Sputter Source. Experiments to evaluate the performance of such a source are described and detailed design criteria established. An ion source designed and built specifically for radiocarbon measurements using carbon dioxide is described. Experiments to evaluate its performance and investigate the underlying physical processes are discussed. (author)

  3. Isotopic Measurement of Uranium by Mass Spectrometry

    International Nuclear Information System (INIS)

    The growing application of atomic energy creates a wider need for precise and accurate knowledge of the isotopic composition of uranium. This information is particularly of great importance in the accountability and transfer of enriched uranium for reactor and research applications involving millions of dollars worth of fissionable materials. Reliable isotopic measurements are also necessary to ensure compliance of fuel element compositions with the reactor design specifications and to permit calculation of process and fuel burn-up losses. Mass spectrometry methods, which far surpass the capabilities of other methods, Were developed for very precise isotopic determinations. These methods, ''Single Standard'' and ''Double Standard'', involve the comparison of measurements of an unknown sample to similar measurements on known standards. Use of the ''Double Standard'' method eliminates the effects of instrument bias, thus permitting isotopic determinations with precisions (95% limit of error) of the order of ± 0.02% of the values. Accuracies are limited only by the knowledge of the standard values used, which are referenced to the series of uranium isotopic standards available from the US National Bureau of Standards. The mass spectrometers are also useful for the absolute determination of isotopic composition of uranium, especially in forms other than UF6. Thermal ionization techniques using high-resolution (approximately 12-in. radius) spectrometers permit the absolute isotopic characterization of the minor isotopes (i.e. those less than 10 wt.%) with an accuracy and precision of about 0.5% of the values per analysis. These analyses are particularly useful in calibrating highly enriched and highly depleted uranium for subsequent use as blending materials in an isotopic standards programme. Both relative and absolute isotopic measurement methods are described as well as their application in the accountability and operational analytical programmes. These applications

  4. Correcting mass shifts: A lock mass-free recalibration procedure for mass spectrometry imaging data

    Czech Academy of Sciences Publication Activity Database

    Kulkarni, P.; Kaftan, F.; Kynast, P.; Svatoš, Aleš; Böcker, S.

    2015-01-01

    Roč. 407, č. 25 (2015), s. 7603-7613. ISSN 1618-2642 Institutional support: RVO:61388963 Keywords : mass spectrometry imaging * recalibration * mass shift correction * data processing Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 3.436, year: 2014

  5. Interpretation of Tandem Mass Spectrometry (MSMS) Spectra for Peptide Analysis

    DEFF Research Database (Denmark)

    Hjernø, Karin; Højrup, Peter

    2015-01-01

    The aim of this chapter is to give a short introduction to peptide analysis by mass spectrometry (MS) and interpretation of fragment mass spectra. Through examples and guidelines we demonstrate how to understand and validate search results and how to perform de novo sequencing based on the often...... very complex fragmentation pattern obtained by tandem mass spectrometry (also referred to as MSMS). The focus is on simple rules for interpretation of MSMS spectra of tryptic as well as non-tryptic peptides....

  6. Introduction of the Indian Society for Mass Spectrometry

    OpenAIRE

    Aggarwal, Suresh K.

    2012-01-01

    The Indian Society for Mass Spectrometry (ISMAS) was founded on March 21, 1978 at a meeting of the mass spectrometrists from all over India at Bhabha Atomic Research Centre (BARC), Bombay during the First National Seminar on Mass Spectrometry. The Society was formed with the objectives of promoting and popularizing massspectrometry and its applications in Research, Industry and other areas of Science. After 34 years, ISMAS now has more than 720 Life-Members and a few Corporate Members. The IS...

  7. Analysis of organic compounds by secondary neutral mass spectrometry (SNMS) and secondary ion mass spectrometry (SIMS)

    International Nuclear Information System (INIS)

    This study is about the use of secondary neutral mass spectrometry (SNMS) and secondary ion mass spectrometry (SIMS) as analytical techniques with depth resolution in determining organic components in environmental solid microparticles. The first application of plasma SNMS to organic compounds revealed the spectra to be composed mainly of signals from the atoms of all participating elements, such as C, H, O, N, S, P, and Cl. In addition, signals produced by multi-atomic clusters can be detected, such as CH, C2, CH2, C2H, and C3, as well as signals indicating the presence of organic compounds with hetero elements, such as OH, NH, and CN. Their intensity decreases very markedly with increasing numbers of atoms. Among the signals from bi-atomic clusters, those coming from elements with large mass differences are most intense. The use of plasma SNMS with organic compounds has shown that, except for spurious chemical reactions induced by ion bombardment and photodesorption by the photons of the plasma, it is possible to analyze with resolution in depth, elements of organic solids. A more detailed molecular characterization of organic compounds is possible by means of SIMS on the basis of multi-atomic fragments and by comparison with suitable signal patterns. (orig./BBR)

  8. Use of mass spectrometry to study signaling pathways

    DEFF Research Database (Denmark)

    Pandey, A; Andersen, Jens S.; Mann, M

    2000-01-01

    identification by matrix-assisted laser desorption/ionization (MALDI) mass spectrometry and nanoelectrospray tandem mass spectrometry. We discuss the special requirements for the identification of phosphorylation sites in proteins by mass spectrometry. We describe enrichment of phosphopeptides from unseparated...... peptide mixtures by immobilized metal affinity column (IMAC) and the use of phosphatases to identify phosphorylated peptides. We also discuss specialized methods, such as precursor ion scanning in the negative mode and direct sequencing of phosphopeptides in the positive mode. Our goal is to provide...

  9. Mass spectrometry for characterizing plant cell wall polysaccharides

    Directory of Open Access Journals (Sweden)

    Stefan eBauer

    2012-03-01

    Full Text Available Mass spectrometry is a selective and powerful technique to obtain identification and structural information on compounds present in complex mixtures. Since it requires only small sample amount it is an excellent tool for researchers interested in detecting changes in composition of complex carbohydrates of plants. This mini-review gives an overview of common mass spectrometry techniques applied to the analysis of plant cell wall carbohydrates. It presents examples in which mass spectrometry has been used to elucidate the structure of oligosaccharides derived from hemicelluloses and pectins and illustrates how information on sequence, linkages, branching and modifications are obtained from characteristic fragmentation patterns.

  10. A Review on Mass Spectrometry: Technique and Tools

    Directory of Open Access Journals (Sweden)

    Ms. Ashwini Yerlekar

    2014-04-01

    Full Text Available Protein structure prediction has gain important in area of life sciences, because of its complex structure. The protein-protein interaction is necessary to study the behavior of protein in a specific environment, and study molecular relationship in living systems. Therefore, large scale proteomics technologies are required to measure physical connection of proteins in living organisms. Mass Spectrometry uses the technique to measure mass-to-charge ratio of ion. It's an evolving technique for characterization of proteins. A Mass Spectrometer can be more sensitive and specific, also complement with other LC detectors. Liquid Chromatography, unlike gas chromatography is a separation technique which helps to separate wide range of organic compounds from small molecular metabolites to peptides and proteins. This paper addresses the study of data analysis using mass Spectrometry. It also includes the study of various methods of Mass Spectrometry data analysis, the tools and various applications of Mass Spectrometry.This review briefs on Mass Spectrometry technique, its application, usage, and tools used by Mass Spectrometry

  11. Membrane introduction mass spectrometry: trends and applications.

    Science.gov (United States)

    Johnson, R C; Cooks, R G; Allen, T M; Cisper, M E; Hemberger, P H

    2000-01-01

    Recent advances in membrane introduction mass spectrometry (MIMS) are reviewed. On-line monitoring is treated by focusing on critical variables, including the nature and dimensions of the membrane, and the analyte vapor pressure, diffusivity, and solubility in the membrane barrier. Sample introduction by MIMS is applied in (i) on-line monitoring of chemical and biological reactors, (ii) analysis of volatile organic compounds in environmental matrices, including air, water and soil, and (iii) in more fundamental studies, such as measurements of thermochemical properties, reaction mechanisms, and kinetics. New semipermeable membranes are discussed, including those consisting of thin polymers, low vapor pressure liquids, and zeolites. These membranes have been used to monitor polar compounds, selectively differentiate compounds through affinity-binding, and provide isomer differentiation based on molecular size. Measurements at high spatial resolution, for example, using silicone-capped hypodermic needle inlets, are also covered, as is electrically driven sampling through microporous membranes. Other variations on the basic MIMS experiment include analyte preconcentration through cryotrapping (CT-MIMS) or trapping in the membrane (trap-and-release), as well as differential thermal release methods and reverse phase (i.e., organic solvent) MIMS. Method limitations center on semivolatile compounds and complex mixture analysis, and novel solutions are discussed. Semivolatile compounds have been monitored with thermally assisted desorption, ultrathin membranes and derivatization techniques. Taking advantage of the differences in time of membrane permeation, mixtures of structurally similar compounds have been differentiated by using sample modulation techniques and by temperature-programmed desorption from a membrane interface. Selective ionization techniques that increase instrument sensitivity towards polar compounds are also described, and comparisons are made with

  12. Advanced Mass Calibration and Visualization for FT-ICR Mass Spectrometry Imaging

    OpenAIRE

    Smith, Donald F.; Kharchenko, Andriy; Konijnenburg, Marco; Klinkert, Ivo; Pasa-Tolic, Ljiljana; Ron M A Heeren

    2013-01-01

    Mass spectrometry imaging by Fourier transform ion cyclotron resonance yields hundreds of unique peaks, many of which cannot be resolved by lower performance mass spectrometers. The high mass accuracy and high mass resolving power allow confident identification of small molecules and lipids directly from biological tissue sections. Here, calibration strategies for Fourier transform ion cyclotron resonance mass spectrometry imaging were investigated. Sub parts-per-million mass accuracy is demo...

  13. A Bragg curve ionization chamber for acceleration mass spectrometry

    International Nuclear Information System (INIS)

    An ionization chamber based on the Bragg curve spectrometry method to be used as the final detector in a accelerator mass spectrometry system is described. The first tests with a Cl beam give energy resolution of 1% and Z resolving power of 72 at Z=17

  14. Electron Transfer Dissociation Mass Spectrometry of Hemoglobin on Clinical Samples

    Science.gov (United States)

    Coelho Graça, Didia; Lescuyer, Pierre; Clerici, Lorella; Tsybin, Yury O.; Hartmer, Ralf; Meyer, Markus; Samii, Kaveh; Hochstrasser, Denis F.; Scherl, Alexander

    2012-10-01

    A mass spectrometry-based assay combining the specificity of selected reaction monitoring and the protein ion activation capabilities of electron transfer dissociation was developed and employed for the rapid identification of hemoglobin variants from whole blood without previous proteolytic cleavage. The analysis was performed in a robust ion trap mass spectrometer operating at nominal mass accuracy and resolution. Subtle differences in globin sequences, resulting with mass shifts of about one Da, can be unambiguously identified. These results suggest that mass spectrometry analysis of entire proteins using electron transfer dissociation can be employed on clinical samples in a workflow compatible with diagnostic applications.

  15. Ambient mass spectrometry imaging: plasma assisted laser desorption ionization mass spectrometry imaging and its applications.

    Science.gov (United States)

    Feng, Baosheng; Zhang, Jialing; Chang, Cuilan; Li, Liping; Li, Min; Xiong, Xingchuang; Guo, Chengan; Tang, Fei; Bai, Yu; Liu, Huwei

    2014-05-01

    Mass spectrometry imaging (MSI) has been widely used in many research areas for the advantages of providing informative molecular distribution with high specificity. Among the recent progress, ambient MSI has attracted increasing interests owing to its characteristics of ambient, in situ, and nonpretreatment analysis. Here, we are presenting the ambient MSI for traditional Chinese medicines (TCMs) and authentication of work of art and documents using plasma assisted laser desorption ionization mass spectrometry (PALDI-MS). Compared with current ambient MSI methods, an excellent average resolution of 60 μm × 60 μm pixel size was achieved using this system. The feasibility of PALDI-based MSI was confirmed by seal imaging, and its authentication applications were demonstrated by imaging of printed Chinese characters. Imaging of the Radix Scutellariae slice showed that the two active components, baicalein and wogonin, mainly were distributed in the epidermis of the root, which proposed an approach for distinguishing TCMs' origins and the distribution of active components of TCMs and exploring the environmental effects of plant growth. PALDI-MS imaging provides a strong complement for the MSI strategy with the enhanced spatial resolution, which is promising in many research fields, such as artwork identification, TCMs' and botanic research, pharmaceutical applications, etc. PMID:24670045

  16. Application of Lithium Attachment Mass Spectrometry for Knudsen Evaporation and Chemical Ionisation Mass Spectrometry (KEMS, CIMS)

    Science.gov (United States)

    Bannan, Thomas; Booth, A. Murray; Alfarra, Rami; Bacak, Asan; Pericval, Carl

    2016-04-01

    Lithium ion attachment mass spectrometry provides a non-specific, non-fragmenting and sensitive method for detection of volatile species in the gas phase. The design, manufacture, and results from lithium ion attachment ionisation sources for two mass spectrometry systems are presented. Trace gas analysis is investigated using a modified Chemical Ionization Mass Spectrometer (CIMS) and vapour pressure (VP) measurements using a modified Knudsen Effusion Mass Spectrometer (KEMS) are presented. The Li+ modified CIMS provided limits of detection of 4 ppt for acetone, 0.2 ppt for formic acid, 15 ppt for nitric acid and 120 ppt from ammonia. Despite improvements, the problem of burnout remained persistent. The Li+ CIMS would unlikely be suitable for field or aircraft work, but could be appropriate for certain lab applications. The KEMS currently utilizes an electron impact (EI) ionisation source which provides a highly sensitive source, with the drawback of fragmentation of ionized molecules (Booth et al., 2009). Using Li+ KEMS the VP of samples can be measured without fragmentation and can therefore be used to identify VPs of individual components in mixtures. The validity of using Li+ for determining the VP of mixtures was tested by making single component VP measurements, which showed good agreement with EI measurements of Poly ethylene glycol (PEG) 3 and PEG 4, both when individually measured and when mixed. The Li+ KEMS was then used to investigate a system of atmospheric relevance, α-pinene secondary organic aerosol, generated in a reaction chamber (Alfarra et al., 2012). The VPs of the individual components from this generated sample are within the range we expect for compounds capable of partitioning between the particle and gas phase of an aerosol (0.1-10-5 Pa). Li+ source has a calculated sensitivity approximately 75 times less than that of EI, but the lack of fragmentation using the Li+ source is a significant advantage.

  17. Analytical strategies in mass spectrometry-based phosphoproteomics

    DEFF Research Database (Denmark)

    Rosenqvist, Heidi; Ye, Juanying; Jensen, Ole N

    2011-01-01

    discuss various tandem mass spectrometry approaches for phosphopeptide sequencing and quantification, and we consider aspects of phosphoproteome data analysis and interpretation. Efficient integration of these stages of phosphoproteome analysis is highly important to ensure a successful outcome of large...

  18. Optimizing the identification of citrullinated peptides by mass spectrometry

    DEFF Research Database (Denmark)

    Bennike, Tue; Lauridsen, Kasper B.; Olesen, Michael Kruse;

    2013-01-01

    Citrullinated proteins have been associated with several diseases and citrullination can most likely function as a target for novel diagnostic agents and unravel disease etiologies. The correct identification of citrullinated proteins is therefore of most importance. Mass spectrometry (MS) driven...

  19. Carbohydrate and steroid analysis by desorption electrospray ionization mass spectrometry.

    Science.gov (United States)

    Kauppila, Tiina J; Talaty, Nari; Jackson, Ayanna U; Kotiaho, Tapio; Kostiainen, Risto; Cooks, R Graham

    2008-06-21

    Desorption electrospray ionization mass spectrometry (DESI-MS) is applied to the analysis of carbohydrates and steroids; the detection limits are significantly improved by the addition of low concentrations of salts to the spray solvent. PMID:18535704

  20. Quantification of hydroxyacetone and glycolaldehyde using chemical ionization mass spectrometry

    Directory of Open Access Journals (Sweden)

    K. M. Spencer

    2011-08-01

    Full Text Available Chemical ionization mass spectrometry (CIMS enables online, fast, in situ detection and quantification of hydroxyacetone and glycolaldehyde. Two different CIMS approaches are demonstrated employing the strengths of single quadrupole mass spectrometry and triple quadrupole (tandem mass spectrometry. Both methods are capable of the measurement of hydroxyacetone, an analyte with minimal isobaric interferences. Tandem mass spectrometry provides direct separation of the isobaric compounds glycolaldehyde and acetic acid using distinct, collision-induced dissociation daughter ions. Measurement of hydroxyacetone and glycolaldehyde by these methods was demonstrated during the ARCTAS-CARB 2008 campaign and the BEARPEX 2009 campaign. Enhancement ratios of these compounds in ambient biomass burning plumes are reported for the ARCTAS-CARB campaign. BEARPEX observations are compared to simple photochemical box model predictions of biogenic volatile organic compound oxidation at the site.

  1. The use of elemental mass spectrometry in phosphoproteomic applications.

    Science.gov (United States)

    Maes, Evelyne; Tirez, Kristof; Baggerman, Geert; Valkenborg, Dirk; Schoofs, Liliane; Encinar, Jorge Ruiz; Mertens, Inge

    2016-01-01

    Reversible phosphorylation is one of the most important post-translational modifications in mammalian cells. Because this molecular switch is an important mechanism that diversifies and regulates proteins in cellular processes, knowledge about the extent and quantity of phosphorylation is very important to understand the complex cellular interplay. Although phosphoproteomics strategies are applied worldwide, they mainly include only molecular mass spectrometry (like MALDI or ESI)-based experiments. Although identification and relative quantification of phosphopeptides is straightforward with these techniques, absolute quantification is more complex and usually requires for specific isotopically phosphopeptide standards. However, the use of elemental mass spectrometry, and in particular inductively coupled plasma mass spectrometry (ICP-MS), in phosphoproteomics-based experiments, allow one to absolutely quantify phosphopeptides. Here, these phosphoproteomic applications with ICP-MS as elemental detector are reviewed. Pioneering work and recent developments in the field are both described. Additionally, the advantage of the parallel use of molecular and elemental mass spectrometry is stressed. PMID:25139451

  2. Laser mass spectrometry for DNA sequencing, disease diagnosis, and fingerprinting

    Energy Technology Data Exchange (ETDEWEB)

    Winston Chen, C.H.; Taranenko, N.I.; Zhu, Y.F.; Chung, C.N.; Allman, S.L.

    1997-03-01

    Since laser mass spectrometry has the potential for achieving very fast DNA analysis, the authors recently applied it to DNA sequencing, DNA typing for fingerprinting, and DNA screening for disease diagnosis. Two different approaches for sequencing DNA have been successfully demonstrated. One is to sequence DNA with DNA ladders produced from Snager`s enzymatic method. The other is to do direct sequencing without DNA ladders. The need for quick DNA typing for identification purposes is critical for forensic application. The preliminary results indicate laser mass spectrometry can possibly be used for rapid DNA fingerprinting applications at a much lower cost than gel electrophoresis. Population screening for certain genetic disease can be a very efficient step to reducing medical costs through prevention. Since laser mass spectrometry can provide very fast DNA analysis, the authors applied laser mass spectrometry to disease diagnosis. Clinical samples with both base deletion and point mutation have been tested with complete success.

  3. 13th International Mass Spectrometry Conference. Book of Abstracts

    International Nuclear Information System (INIS)

    The collection contains abstracts of several hundred papers presented at the international conference on new research and development results and applications of mass spectrometry. Abstracts falling into the INIS scope were indexed separately in the INIS database. (Roboz, P.)

  4. Accelerator mass spectrometry programme at Mumbai pelletron accelerator facility

    International Nuclear Information System (INIS)

    The Accelerator Mass Spectrometry (AMS) programme and the related developments based on the Mumbai Pelletron accelerator are described. The initial results of the measurement of the ratio, 36Cl / Cl in water samples are presented. (author)

  5. Desorption electrospray ionization-mass spectrometry of proteins

    Science.gov (United States)

    Desorption electrospray ionization-mass spectrometry (DESI-MS) was evaluated for the detection of proteins ranging in molecular mass from 12 to 66 kDa. Proteins were uniformly deposited on a solid surface without pretreatment and analyzed with a DESI source coupled to a quadrupole ion trap mass spec...

  6. Yeast expression proteomics by high-resolution mass spectrometry

    DEFF Research Database (Denmark)

    Walther, Tobias C; Olsen, Jesper Velgaard; Mann, Matthias

    2010-01-01

    -translational controls contribute majorly to regulation of protein abundance, for example in heat shock stress response. The development of new sample preparation methods, high-resolution mass spectrometry and novel bioinfomatic tools close this gap and allow the global quantitation of the yeast proteome under different...... conditions. Here, we provide background information on proteomics by mass-spectrometry and describe the practice of a comprehensive yeast proteome analysis....

  7. From structure to function : Protein assemblies dissected by mass spectrometry

    OpenAIRE

    Lorenzen, K.

    2008-01-01

    This thesis demonstrates some of the possibilities mass spectrometry can provide to gain new insight into structure and function of protein complexes. While technologies in native mass spectrometry are still under development, it already allows research on complete proteins and protein complexes up to a seemingly unlimited size. This would not have been possible without the technical developments in all related fields, for example ionization, instrumentation and sample preparation and handlin...

  8. Subcellular analysis by laser ablation electrospray ionization mass spectrometry

    Science.gov (United States)

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

    2014-12-02

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

  9. Determination of nitrofuran and chloramphenicol residues by high resolution mass spectrometry versus tandem quadrupole mass spectrometry.

    Science.gov (United States)

    Kaufmann, A; Butcher, P; Maden, K; Walker, S; Widmer, M

    2015-03-01

    An ultra-high performance liquid chromatography based method, coupled to high resolution mass spectrometry (UHPLC-HRMS), was developed to permit the detection and quantification of various nitrofuran and chloramphenicol residues in a number of animal based food products. This method is based on the hydrolysis of covalently bound metabolites and derivatization with 2-nitrobenzaldehyde. Clean-up is achieved by a liquid/liquid and a reversed phase/solid phase extraction. Not only are the four conventional nitrofurans (nitrofurantoin, furazolidone, nitrofurazone and furaltadone) detected, but also nifursol, nitrovin and nifuroxazide. Furthermore, an underivatizable nitrofuran (nifurpirinol) and another banned drug (chloramphenicol) can be quantified as well. The compounds are detected in the form of their precursor ions, [M+H](+) and [M-H](-), respectively. The mass resolving power of 70,000 FWHM, and the applied mass window ensure sufficient selectivity and sensitivity. Confirmation is obtained by monitoring the HRMS resolved product ions which were derived from the unit-mass resolved precursor ions. The multiplexing capability of the utilized Orbitrap instrument provides not only highly selective, but also sensitive confirmatory signals. This method has been validated according to the CD 2002/657/EC for the following matrices: muscle, liver, kidney, fish, honey, eggs and milk. PMID:25682427

  10. Quantification of steroid conjugates using fast atom bombardment mass spectrometry

    International Nuclear Information System (INIS)

    Fast atom bombardment/mass spectrometry or liquid secondary ion mass spectrometry provides the capability for direct analysis of steroid conjugates (sulfates, glucuronides) without prior hydrolysis or derivatization. During the analysis of biologic extracts, limitations on the sensitivity of detection arise from the presence of co-extracted material which may suppress or obscure the analyte signal. A procedure is described for the quantitative determination of dehydroepiandrosterone sulfate in serum which achieved selective isolation of the analyte using immunoadsorption extraction and highly specific detection using tandem mass spectrometry. A stable isotope-labeled analog [( 2H2]dehydroepiandrosterone sulfate) was used as internal standard. Fast atom bombardment of dehydroepiandrosterone sulfate yielded abundant [M-H]- ions that fragmented following collisional activation to give HSO4-; m/z 97. During fast atom bombardment/tandem mass spectrometry of serum extracts, a scan of precursor ions fragmenting to give m/z 97 detected dehydroepiandrosterone sulfate and the [2H2]-labeled analog with a selectivity markedly superior to that observed using conventional mass spectrometry detection. Satisfactory agreement was observed between quantitative data obtained in this way and data obtained by gas chromatography/mass spectrometry of the heptafluorobutyrates of dehydroepiandrosterone sulfate and [2H2]dehydroepiandrosterone sulfate obtained by direct derivatization. 21 refs

  11. Analysis of posttranslational modifications of proteins by tandem mass spectrometry

    DEFF Research Database (Denmark)

    Larsen, Martin Røssel; Trelle, Morten B; Thingholm, Tine E;

    2006-01-01

    -temporal distribution in cells and tissues. Most PTMs can be detected by protein and peptide analysis by mass spectrometry (MS), either as a mass increment or a mass deficit relative to the nascent unmodified protein. Tandem mass spectrometry (MS/MS) provides a series of analytical features that are highly useful for......Protein activity and turnover is tightly and dynamically regulated in living cells. Whereas the three-dimensional protein structure is predominantly determined by the amino acid sequence, posttranslational modification (PTM) of proteins modulates their molecular function and the spatial...

  12. Proteomics and Mass Spectrometry for Cancer Biomarker Discovery

    Directory of Open Access Journals (Sweden)

    Ming Lu

    2007-01-01

    Full Text Available Proteomics is a rapidly advancing field not only in the field of biology but also in translational cancer research. In recent years, mass spectrometry and associated technologies have been explored to identify proteins or a set of proteins specific to a given disease, for the purpose of disease detection and diagnosis. Such biomarkers are being investigated in samples including cells, tissues, serum/plasma, and other types of body fluids. When sufficiently refined, proteomic technologies may pave the way for early detection of cancer or individualized therapy for cancer. Mass spectrometry approaches coupled with bioinformatic tools are being developed for biomarker discovery and validation. Understanding basic concepts and application of such technology by investigators in the field may accelerate the clinical application of protein biomarkers in disease management.Abbreviations: 2DE: two-dimensional gel electrophoresis; ABPP: activity-based protein profiling; CEA: carcinoembryonic antigen; CI: confidence interval; ESI: electrospray ionization; FP: fluorophosphonate; HPLC: high performance liquid chromatography; ICAT: isotope coded affi nitytags; IEF: isoelectric focusing; iTRAQ: isobaric tags for relative and absolute quantification; LCMS: combined liquid chromatography-mass spectrometry; LCMSMS: liquid chromatography tandem mass spectrometry; LOD: limit of detection; m/z: mass to charge ratio; MALDI: matrix-assisted laser desorption ionization; MS: mass spectrometry; MUDPIT: multidimensional protein identification technology; NAF: nipple aspirate fluid; PMF: peptide mass fingerprinting; PSA: prostate specifi c antigen; PTMs: post-translational modifications; RPMA: reverse phase protein microarray; SELDI: surface enhanced laser desorption ionization; TOF: time-of-flight.

  13. Schottky Mass Spectrometry on 152Sm Projectile Fragments*

    Science.gov (United States)

    Yan, X. L.; Litvinov, Yu. A.; Bosch, F.; Brandau, C.; Chen, L.; Geissel, H.; Knöbel, R.; Kozhuharov, C.; Kurcewicz, J.; Litvinov, S. A.; Münzenberg, G.; Nociforo, C.; Nolden, F.; Plass, W. R.; Sanjari, M. S.; Scheidenberger, C.; Steck, M.; Sun, B.; Tu, X. L.; Wang, M.; Weick, H.; Winckler, N.; Winkler, M.; Xu, H. S.; Zhang, Y. H.; Zhou, X. H.

    Direct mass measurements of neutron-deficient 152Sm projectile fragments were conducted at the FRS-ESR facility at GSI by employing the time-resolved Schottky Mass Spectrometry. 311 different nuclides were identified by means of their revolution frequencies. Charge-dependent systematic differences between the fitted mass values and the literature mass values are observed in the data analysis. The origin of this systematic deviation is still under discussion. The latest progress on the data analysis is presented.

  14. Incorporating Biological Mass Spectrometry into Undergraduate Teaching Labs, Part 2: Peptide Identification via Molecular Mass Determination

    Science.gov (United States)

    Arnquist, Isaac J.; Beussman, Douglas J.

    2009-01-01

    Mass spectrometry has become a routine analytical tool in the undergraduate curriculum in the form of GC-MS. While relatively few undergraduate programs have incorporated biological mass spectrometry into their programs, the importance of these techniques, as demonstrated by their recognition with the 2002 Nobel Prize, will hopefully lead to…

  15. A Developmental History of Polymer Mass Spectrometry

    Science.gov (United States)

    Vergne, Matthew J.; Hercules, David M.; Lattimer, Robert P.

    2007-01-01

    The history of the development of mass spectroscopic methods used to characterize polymers is discussed. The continued improvements in methods and instrumentation will offer new and better ways for the mass spectral characterization of polymers and mass spectroscopy (MS) should be recognized as a complementary polymer characterization method along…

  16. Determination of natural uranium series isotope ratios by mass spectrometry

    International Nuclear Information System (INIS)

    Mass spectrometric methods for the determination of natural uranium series disequilibrium were reviewed by means of a literature survey. Thermal ionization mass spectrometry (TIMS) has been used for this purpose with satisfactory results, but there were no studies for geological specimens using the newer variant, the Inductively Coupled Plasma Mass Spectrometry (ICP-MS). In spite of problems of sensitivity and reproducibility, a few feasibility studies show that ICP-MS by means of development has potential for certain applications. (au.) (15 refs., 3 figs., 3 tabs.)

  17. Towards airborne nanoparticle mass spectrometry with nanomechanical string resonators

    DEFF Research Database (Denmark)

    Schmid, Silvan; Kurek, Maksymilian; Boisen, Anja

    2013-01-01

    airborne nanoparticle sensors. Recently, nanomechanical mass spectrometry was established. One of the biggest challenges of nanomechanical sensors is the low efficiency of diffusion-based sampling. We developed an inertial-based sampling method that enables the efficient sampling of airborne nanoparticles...... first bending mode. Mass spectrometry of airborne nanoparticles requires the simultaneous operation in the first and second mode, which can be implemented in the transduction scheme of the resonator. The presented results lay the cornerstone for the realization of a portable airborne nanoparticle mass...

  18. Computational approaches to enhance mass spectrometry-based proteomics

    OpenAIRE

    Neuhauser, Nadin

    2014-01-01

    In this thesis I present three computational approaches that improve the analysis of mass spectrometry-based proteomics data. The novel search engine Andromeda allows efficient identification of peptides and proteins. Implementation of a rule-based expert system provides more detailed information contained in the mass spectra. Furthermore I adapted our computational proteomics pipeline to high performance computers.

  19. Estimation of detection limits in inductively coupled plasma mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Prudnikov, E.D. [Earth`s Crust Inst., State Univ., St. Petersburg (Russian Federation); Barnes, R.M. [Department of Chemistry, University of Massachusetts, Amherst, MA (United States)

    1998-11-01

    The theoretical estimation of the detection limits in inductively coupled plasma mass spectrometry has been investigated. This calculation includes significant parameters of the ICP source and mass spectrometer. The calculated values show generally good agreement with experimental results. The development of a mathematical relationship may be useful for evaluation of instrumental parameters and sample introduction techniques. (orig.) With 1 tab., 28 refs.

  20. Surface-MALDI mass spectrometry in biomaterials research

    DEFF Research Database (Denmark)

    Griesser, H.J.; Kingshott, P.; McArthur, S.L.;

    2004-01-01

    Matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS) has been used for over a decade for the determination of purity and accurate molecular masses of macromolecular analytes, such as proteins, in solution. In the last few years the technique has been adapted to become a new...

  1. Mass spectrometry and hyphenated instruments in food analysis

    Science.gov (United States)

    Mass spectrometry (MS) has come a long way since the record of the first mass spectra of a simple low molecular weight substance by J.J. Thomson in 1912. Especially over the past decades, MS has been the subject of many developments. Particularly, the hyphenation of MS to gas chromatography (GC) a...

  2. Electrospray ionization combined with ion trap mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Van Berkel, G.J.; Glish, G.L.; McLuckey, S.A. (Oak Ridge National Laboratory, TN (USA))

    1990-07-01

    Ions from a variety of molecules, formed via electrospray, have been injected into and analyzed with a quadrupole ion trap mass spectrometer. Examples are shown in which one or more stages of mass spectrometry (e.g., mass spectrometry/mass spectrometry) have been performed on both multiply charged anions and cations. Compounds for which data are described include the disodium salt of 2-hydroxynapthalene-3,6-disulfonic acid, Direct Red 81, bradykinin, melittin, cytochrome c, myoglobin, and bovine albumin. For some compounds, notable the sulfonates, evidence is presented for the injection of highly solvated ions that desolvate within the ion trap. The cations derived from the peptides, on the other hand, appear to be essentially desolvated prior to injection into the ion trap.

  3. Use of Mass spectrometry for imaging metabolites in plants

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Young Jin; Perdian, David C.; Song, Zhihong; Yeung, Edward S.; Nikolau, Basil

    2012-03-27

    We discuss and illustrate recent advances that have been made to image the distribution of metabolites among cells and tissues of plants using different mass spectrometry technologies. These technologies include matrix-assisted laser desorption ionization, desorption electrospray ionization, and secondary ion mass spectrometry. These are relatively new technological applications of mass spectrometry and they are providing highly spatially resolved data concerning the cellular distribution of metabolites. We discuss the advantages and limitations of each of these mass spectrometric methods, and provide a description of the technical barriers that are currently limiting the technology to the level of single-cell resolution. However, we anticipate that advances in the next few years will increase the resolving power of the technology to provide unprecedented data on the distribution of metabolites at the subcellular level, which will increase our ability to decipher new knowledge concerning the spatial organization of metabolic processes in plants.

  4. Use of mass spectrometry for imaging metabolites in plants

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Young-Jin; Perdian, David; Song, Zhihong; Yeung, Edward; Nikolau, Basil

    2012-03-27

    We discuss and illustrate recent advances that have been made to image the distribution of metabolites among cells and tissues of plants using different mass spectrometry technologies. These technologies include matrix-assisted laser desorption ionization, desorption electrospray ionization, and secondary ion mass spectrometry. These are relatively new technological applications of mass spectrometry and they are providing highly spatially resolved data concerning the cellular distribution of metabolites. We discuss the advantages and limitations of each of these mass spectrometric methods, and provide a description of the technical barriers that are currently limiting the technology to the level of single-cell resolution. However, we anticipate that advances in the next few years will increase the resolving power of the technology to provide unprecedented data on the distribution of metabolites at the subcellular level, which will increase our ability to decipher new knowledge concerning the spatial organization of metabolic processes in plants.

  5. Plutonium determination in urine by techniques of mass spectrometry

    International Nuclear Information System (INIS)

    The objective of this study was to develop an analytic method for quantification and plutonium reappraisal in plane tables of alpha spectrometry be means of the mass spectrometry technique of high resolution with plasma source inductively coupled and desolvator Aridus (Aridus-Hr-Icp-Ms) and mass spectrometry with accelerator (AMS). The obtained results were, the recovery percentage of Pu in the plane table was of ∼ 90% and activity minimum detectable obtained with Aridus-Hr-Icp-Ms and AMS was of ∼ 3 and ∼ 0.4 f g of 239Pu, respectively. Conclusion, the results demonstrate the aptitude of the Aridus-Hr-Icp-Ms and AMS techniques in the Pu reappraisal in plane tables with bigger speed and precision, improving the values notably of the activity minimum detectable that can be obtained with the alpha spectrometry (∼ 50 f g of 239Pu). (author)

  6. Knudsen effusion mass spectrometry. Chapter 20

    International Nuclear Information System (INIS)

    The Knudsen effusion mass spectrometric method for the determination of vapour pressures and thermodynamic properties is described. The aim of the article is to give a general introduction to the method rather than to give a critical review of the technique. The latest developments in this area of research are reviewed by the peers in the field during the triennial international mass spectrometric conferences. The Knudsen effusion mass spectrometric method is being applied for thermodynamic measurements. In recent times, laser vaporisation mass spectrometric methods have emerged as a source of determination of vapour pressures at very high temperatures and beyond the pressure regime far exceeding Knudsen effusion range

  7. 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

    Energy Technology Data Exchange (ETDEWEB)

    Perdian, David C. [Iowa State Univ., Ames, IA (United States)

    2009-01-01

    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.

  8. Preparation and characterization of 234U for mass spectrometry and alpha-spectrometry

    International Nuclear Information System (INIS)

    234U of high isotopic purity (>99 atom%) as well as of high radiochemical purity was separated from aged 238Pu prepared by neutron irradiation of 237Np. Methodologies based on ion exchange and solvent extraction procedures were used to achieve high decontamination factor from 238Pu owing to the very high α-specific activity of 238Pu (2800 times) in comparison to that of 234U. Isotopic composition of purified 234U was determined by thermal ionisation mass spectrometry. Alpha spectrometry was used for checking the radiochemical purity of 234U with respect to concomitant α-emitting nuclides. The separated 234U will be useful for different investigations using mass spectrometry and alpha spectrometry. (author)

  9. Advanced Mass Calibration and Visualization for FT-ICR Mass Spectrometry Imaging

    CERN Document Server

    Smith, Donald F; Konijnenburg, Marco; Klinkert, Ivo; Pasa-Tolic, Ljiljana; Heeren, Ron M A

    2013-01-01

    Mass spectrometry imaging by Fourier transform ion cyclotron resonance yields hundreds of unique peaks, many of which cannot be resolved by lower performance mass spectrometers. The high mass accuracy and high mass resolving power allow confident identification of small molecules and lipids directly from biological tissue sections. Here, calibration strategies for Fourier transform ion cyclotron resonance mass spectrometry imaging were investigated. Sub parts-per-million mass accuracy is demonstrated over an entire tissue section. Ion abundance fluctuations are corrected for by addition of total and relative ion abundances for a root-mean-square error of 0.158 ppm on 16,764 peaks. A new approach for visualization of Fourier transform ion cyclotron resonance mass spectrometry imaging data at high resolution is presented. The Mosaic Data-cube provides a flexible means to visualize the entire mass range at a mass spectral bin width of 0.001 Dalton. The high resolution Mosaic Data-cube resolves spectral features ...

  10. Proceedings of twelfth ISMAS symposium cum workshop on mass spectrometry

    International Nuclear Information System (INIS)

    Mass Spectrometry is an important analytical tool and has encompassed almost all branches of science and technology including Agricultural, biology, Chemistry, Earth sciences, environment, Forensic Science, Medical Sciences, Hydrology, Nuclear Technology, Oceanography, Physics etc. Recent advancements in the instrumentation of Mass Spectrometry have further strengthened its role for various applications. It is indeed a matter of great pleasure to present this special Issue of ISMAS Bulletin which is brought out on the occasion of the 12th ISMAS Symposium cum Workshop on Mass spectrometry (12th ISMAS-WS 2007) being held at Cidade-de-Goa, Dona Paula, Goa from March 25 to 30, 2007 in association with National Institute of Oceanography, Goa. This Symposium cum Workshop is co-sponsored by Scientific Departments of Government of India. Papers relevant to INIS are indexed separately

  11. Laser desorption mass spectrometry for biomolecule detection and its applications

    International Nuclear Information System (INIS)

    During the past few years, we developed and used laser desorption mass spectrometry for biomolecule detections. Matrix-assisted laser desorption/ionization (MALDI) was successfully used to detect DNA fragments with the size larger than 3000 base pairs. It was also successfully used to sequence DNA with both enzymatic and chemical degradation methods to produce DNA ladders. We also developed MALDI with fragmentation for direct DNA sequencing for short DNA probes. Since laser desorption mass spectrometry for DNA detection has the advantages of fast speed and no need of labeling, it has a great potential for molecular diagnosis for disease and person identification by DNA fingerprinting. We applied laser desorption mass spectrometry to succeed in the diagnosis of cystic fibrosis and several other nerve degenerative diseases such as Huntington's disease. We also succeeded in demonstrating DNA typing for forensic applications

  12. Laser mass spectrometry at high vibrational excitation density

    International Nuclear Information System (INIS)

    We describe a novel approach to infrared matrix-assisted laser desorption-ionization mass spectrometry using a tunable, picosecond pulse laser to selectively excite specific modes of a solid, thereby creating a high local density of vibrational quanta. The concept is based on recent results from our experiments employing a free-electron laser to explore 'matrix-less' mass spectrometry in which an infrared chromophore intrinsic to the sample, rather than an exogenous matrix, is excited by the laser. Examples from both environmental mass spectrometry and a proteomics-driven research project are presented, showing how the principle of selective vibrational excitation can be used to make possible novel and useful ion generation protocols. We conclude with an analysis of possible mechanisms for the phenomena of infrared desorption, ablation and ionization using very short laser pulses. Prospects for achieving similar results with more conventional laser sources are discussed

  13. T cells recognizing a peptide contaminant undetectable by mass spectrometry

    DEFF Research Database (Denmark)

    Brezar, Vedran; Culina, Slobodan; Østerbye, Thomas;

    2011-01-01

    Synthetic peptides are widely used in immunological research as epitopes to stimulate their cognate T cells. These preparations are never completely pure, but trace contaminants are commonly revealed by mass spectrometry quality controls. In an effort to characterize novel major histocompatibility...... complex (MHC) Class I-restricted ß-cell epitopes in non-obese diabetic (NOD) mice, we identified islet-infiltrating CD8+ T cells recognizing a contaminating peptide. The amount of this contaminant was so small to be undetectable by direct mass spectrometry. Only after concentration by liquid...

  14. Metabolome analysis - mass spectrometry and microbial primary metabolites

    DEFF Research Database (Denmark)

    Højer-Pedersen, Jesper Juul

    2008-01-01

    highly sensitive and specific, and to undertake this challenge mass spectrometry (MS) is among the best candidates. Along with analysis of the metabolome the research area of metabolomics has evolved. Metabolomics combines metabolite profiles, data mining and biochemistry and aims at understanding the...... glucose, galactose or ethanol, and metabolic footprinting by mass spectrometry was used to study the influence of carbon source on the extracellular metabolites. The results showed that footprints clustered according to the carbon source. Advances in technologies for analytical chemistry have mediated...

  15. Discovery based and targeted Mass Spectrometry in farm animal proteomics

    DEFF Research Database (Denmark)

    Bendixen, Emøke

    2013-01-01

    Technological advances in mass spectrometry have greatly improved accuracy and speed of analyses of proteins and biochemical pathways. These proteome technologies have transformed research and diagnostic methods in the biomedical fields, and in food and farm animal sciences proteomics can be used...... experiments from tissues and body fluids from pig, cow and horse, and currently provides the primary public resource for designing SRM methods for farm animal applications...... approach for investigating farm animal biology. SRM is particularly important for validation biomarker candidates This talk will introduce the use of different mass spectrometry approaches through examples related to food quality and animal welfare, including studies of gut health in pigs, host pathogen...

  16. Development and applications of ionization techniques in ambient mass spectrometry

    Czech Academy of Sciences Publication Activity Database

    Rejšek, Jan; Vrkoslav, Vladimír; Cvačka, Josef

    Prague : Charles University in Prague, Faculty of Science, 2014 - (Nesměrák, K.), s. 37-38 ISBN 978-80-7444-030-4. [International Students Conference "Modern Analytical Chemistry" /10./. Praha (CZ), 22.09.2014-23.09.2014] R&D Projects: GA ČR GAP206/12/0750 Grant ostatní: GA AV ČR(CZ) M200551204 Institutional support: RVO:61388963 Keywords : ambient mass spectrometry * desorption electrospray ionization * desorption atmospheric pressure photoionization * thin-layer chromatography * insect defense compounds * mass spectrometry imaging Subject RIV: CB - Analytical Chemistry, Separation

  17. Radiogas chromatography mass spectrometry in the selected ion monitoring mode

    International Nuclear Information System (INIS)

    The value of selected ion monitoring in analyzing biological radio isotope incorporation experiments by radiogas chromatography mass spectrometry is illustrated with reference to the biosynthesis of the mycotoxin mycophenolic acid in Penicillium brevicompactum and the mode of action of the anticholesterolemic drug 20,25-diazacholesterol. Both examples used 1-[14C]acetate precursors. It is shown that the increased sensitivity and specificity of the selected ion monitoring mode detector permits straightforward detection and identification of the relatively small cellular pools associated with metabolic intermediates. The computer program RADSIM is described. Problems that still exist in using radiogas gas chromatography mass spectrometry technology to analyse isotope incorporation experiments are discussed. (author)

  18. Performance evaluation of two personal bioaerosol samplers.

    Science.gov (United States)

    Tolchinsky, Alexander D; Sigaev, Vladimir I; Varfolomeev, Alexander N; Uspenskaya, Svetlana N; Cheng, Yung S; Su, Wei-Chung

    2011-01-01

    In this study, the performance of two newly developed personal bioaerosol samplers for monitoring the level of environmental and occupational airborne microorganisms was evaluated. These new personal bioaerosol samplers were designed based on a swirling cyclone with recirculating liquid film. The performance evaluation included collection efficiency tests using inert aerosols, the bioaerosol survival test using viable airborne microorganism, and the evaluation of using non-aqueous collection liquid for long-period sampling. The test results showed that these two newly developed personal bioaerosol samplers are capable of doing high efficiency, aerosol sampling (the cutoff diameters are around 0.7 μm for both samplers), and have proven to provide acceptable survival for the collected bioaerosols. By using an appropriate non-aqueous collection liquid, these two personal bioaerosol samplers should be able to permit continuous, long-period bioaerosol sampling with considerable viability for the captured bioaerosols. PMID:22175872

  19. Principles of isotopic analysis by mass spectrometry

    International Nuclear Information System (INIS)

    The use of magnetic sector field mass spectrometers in isotopic analysis, especially for nitrogen gas, is outlined. Two measuring methods are pointed out: the scanning mode for significantly enriched samples and the double collector method for samples near the natural abundance of 15N. The calculation formulas are derived and advice is given for corrections. (author)

  20. High-accuracy mass spectrometry for fundamental studies.

    Science.gov (United States)

    Kluge, H-Jürgen

    2010-01-01

    Mass spectrometry for fundamental studies in metrology and atomic, nuclear and particle physics requires extreme sensitivity and efficiency as well as ultimate resolving power and accuracy. An overview will be given on the global status of high-accuracy mass spectrometry for fundamental physics and metrology. Three quite different examples of modern mass spectrometric experiments in physics are presented: (i) the retardation spectrometer KATRIN at the Forschungszentrum Karlsruhe, employing electrostatic filtering in combination with magnetic-adiabatic collimation-the biggest mass spectrometer for determining the smallest mass, i.e. the mass of the electron anti-neutrino, (ii) the Experimental Cooler-Storage Ring at GSI-a mass spectrometer of medium size, relative to other accelerators, for determining medium-heavy masses and (iii) the Penning trap facility, SHIPTRAP, at GSI-the smallest mass spectrometer for determining the heaviest masses, those of super-heavy elements. Finally, a short view into the future will address the GSI project HITRAP at GSI for fundamental studies with highly-charged ions. PMID:20530821

  1. Quantitative matrix-assisted laser desorption/ionization mass spectrometry

    OpenAIRE

    Duncan, Mark W.; Roder, Heinrich; Hunsucker, Stephen W.

    2008-01-01

    This review summarizes the essential characteristics of matrix-assisted laser desorption/ionization (MALDI) time-of-flight mass spectrometry (TOF MS), especially as they relate to its applications in quantitative analysis. Approaches to quantification by MALDI-TOF MS are presented and published applications are critically reviewed.

  2. Characterisation of cholera toxin by liquid chromatography - Electrospray mass spectrometry

    NARCIS (Netherlands)

    Baar, B.L.M. van; Hulst, A.G.; Wils, E.R.J.

    1999-01-01

    Cholera toxin, one of the toxins that may be generated by various strains of the bacterium Vibrio cholerae, can be considered as a substance possibly used in biological warfare. The possibilities of characterising the toxin by liquid chromatography electrospray mass spectrometry (LC-ES-MS) were inve

  3. Advances in mass spectrometry driven O-glycoproteomics

    DEFF Research Database (Denmark)

    Levery, Steven B; Steentoft, Catharina; Halim, Adnan;

    2015-01-01

    BACKGROUND: Global analyses of proteins and their modifications by mass spectrometry are essential tools in cell biology and biomedical research. Analyses of glycoproteins represent particular challenges and we are only at the beginnings of the glycoproteomic era. Some of the challenges have been...

  4. Fungal Metabolites for Microorganism Classification by Mass Spectrometry

    Czech Academy of Sciences Publication Activity Database

    Havlíček, Vladimír; Lemr, Karel

    Washington DC: American Chemical Society, 2011 - (Fenselau, C.; Demirev, P.), s. 51-60 ISBN 978-0-8412-2612-8 R&D Projects: GA MŠk LC07017 Institutional research plan: CEZ:AV0Z50200510 Keywords : Microorganism * mass spectrometry * biomarker Subject RIV: EE - Microbiology, Virology

  5. Quantification in MALDI-TOF mass spectrometry of modified polymers

    Czech Academy of Sciences Publication Activity Database

    Walterová, Zuzana; Horský, Jiří

    2011-01-01

    Roč. 693, 1/2 (2011), s. 82-88. ISSN 0003-2670 R&D Projects: GA ČR GA203/08/0543 Institutional research plan: CEZ:AV0Z40500505 Keywords : MALDI-TOF mass spectrometry * modified polymers * quantification Subject RIV: CC - Organic Chemistry Impact factor: 4.555, year: 2011

  6. Mass spectrometry. Environment, biology, oenology, medicine, geology, chemistry, archaeology, mechanisms

    International Nuclear Information System (INIS)

    This document provides the papers (communications and posters) presented at the 16. French days of mass spectrometry, held September 6-9, 1999 in Nancy, France. 5 papers are interesting for the INIS database and are analyzed separately. (O.M.)

  7. Mass Spectrometry Based Identifications of LMW Glutenin Subunits

    Science.gov (United States)

    Tandem mass spectrometry (MS/MS) is routinely used to identify wheat endosperm proteins. In this method, peptide fragmentation patterns generated by MS/MS are identified using a ‘search engine’ to compare the spectra to those generated in silico from protein sequence databases. Trypsin is a commonly...

  8. Specialized Gas Chromatography--Mass Spectrometry Systems for Clinical Chemistry.

    Science.gov (United States)

    Gochman, Nathan; And Others

    1979-01-01

    A discussion of the basic design and characteristics of gas chromatography-mass spectrometry systems used in clinical chemistry. A comparison of three specific systems: the Vitek Olfax IIA, Hewlett-Packard HP5992, and Du Pont DP-102 are included. (BB)

  9. On-Line Synthesis and Analysis by Mass Spectrometry

    Science.gov (United States)

    Bain, Ryan M.; Pulliam, Christopher J.; Raab, Shannon A.; Cooks, R. Graham

    2015-01-01

    In this laboratory experiment, students learn how to use ESI to accelerate chemical synthesis and to couple it with on-line mass spectrometry for structural analysis. The Hantzsch synthesis of symmetric 1,4-dihydropyridines is a classic example of a one-pot reaction in which multiple intermediates can serve to indicate the progress of the reaction…

  10. Multiple parallel mass spectrometry for lipid and vitamin D analysis

    Science.gov (United States)

    Liquid chromatography (LC) coupled to mass spectrometry (MS) has become the method of choice for analysis of complex lipid samples. Two types of ionization sources have emerged as the most commonly used to couple LC to MS: atmospheric pressure chemical ionization (APCI) and electrospray ionization ...

  11. Liquid Chromatography-Mass Spectrometry-based Quantitative Proteomics

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Fang; Liu, Tao; Qian, Weijun; Petyuk, Vladislav A.; Smith, Richard D.

    2011-07-22

    Liquid chromatography-mass spectrometry (LC-MS)-based quantitative proteomics has become increasingly applied for a broad range of biological applications due to growing capabilities for broad proteome coverage and good accuracy in quantification. Herein, we review the current LC-MS-based quantification methods with respect to their advantages and limitations, and highlight their potential applications.

  12. Traveling-wave ion mobility mass spectrometry of protein complexes

    DEFF Research Database (Denmark)

    Salbo, Rune; Bush, Matthew F; Naver, Helle;

    2012-01-01

    The collision cross-section (Ω) of a protein or protein complex ion can be measured using traveling-wave (T-wave) ion mobility (IM) mass spectrometry (MS) via calibration with compounds of known Ω. The T-wave Ω-values depend strongly on instrument parameters and calibrant selection. Optimization of...

  13. Laser Mass Spectrometry in Planetary Science

    International Nuclear Information System (INIS)

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

  14. Mass spectrometry instrumentation in TN (Novillo Tokamak)

    International Nuclear Information System (INIS)

    The mass spectrophotometry in the residual gases analysis in high vacuum systems, in particular in the Novillo Tokamak (TN), where pressures are required to be of the order 10-7 Torr, is carried out through an instrumental support with infrastructure configured in parallel to the experimental planning in this device. In the Novillo as well as other Tokamaks, it is necessary to condition the vacuum chamber for improving the main discharge parameters. At the present time, in this Tokamak the conditioning quality is presented determined by means of a mass spectrophotometer. A general instrumental description is presented associated with the Novillo conditioning, as well as the spectras obtained before and after operation. (Author)

  15. Peptide Identification by Tandem Mass Spectrometry with Alternate Fragmentation Modes*

    OpenAIRE

    Guthals, Adrian; Bandeira, Nuno

    2012-01-01

    The high-throughput nature of proteomics mass spectrometry is enabled by a productive combination of data acquisition protocols and the computational tools used to interpret the resulting spectra. One of the key components in mainstream protocols is the generation of tandem mass (MS/MS) spectra by peptide fragmentation using collision induced dissociation, the approach currently used in the large majority of proteomics experiments to routinely identify hundreds to thousands of proteins from s...

  16. Direct and Convenient Mass Spectrometry Sampling with Ambient Flame Ionization

    OpenAIRE

    Xiao-Pan Liu; Hao-Yang Wang; Jun-Ting Zhang; Meng-Xi Wu; Wan-Shu Qi; Hui Zhu; Yin-Long Guo

    2015-01-01

    Recent innovations in ambient ionization technology for the direct analysis of various samples in their native environment facilitate the development and applications of mass spectrometry in natural science. Presented here is a novel, convenient and flame-based ambient ionization method for mass spectrometric analysis of organic compounds, termed as the ambient flame ionization (AFI) ion source. The key features of AFI ion source were no requirement of (high) voltages, laser beams and spray g...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-09-01

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

  18. Structural Characterization of Carbohydrates by Fourier Transform Tandem Mass Spectrometry

    OpenAIRE

    Zhou, Wen; Håkansson, Kristina

    2011-01-01

    Fourier transform tandem mass spectrometry (MS/MS) provides high mass accuracy, high sensitivity, and analytical versatility and has therefore emerged as an indispensable tool for structural elucidation of biomolecules. Glycosylation is one of the most common posttranslational modifications, occurring in ~50% of proteins. However, due to the structural diversity of carbohydrates, arising from non-template driven biosynthesis, achievement of detailed structural insight is highly challenging. T...

  19. Miniaturized analytical systems for mass spectrometry-based protein studies

    OpenAIRE

    Abonnenc, Mélanie

    2009-01-01

    Current proteomic strategies depend strongly on the development of analytical methodologies and instrumentation. In parallel to the development of mass spectrometry (MS) - based proteomic workflows, microfluidic devices emerged in this field as a flexible tool for rapid and sensitive protein studies. In this context, the present work focuses on the development of miniaturized analytical systems for protein studies, especially by electrospray ionization mass spectrometric detection. Several ap...

  20. Innovative mass spectrometry-based analytical strategies in proteomics

    OpenAIRE

    Milioli, Marco

    2015-01-01

    This PhD thesis was divided in four main sections. In particular, the first section is composed by fourth chapters showing the main components of a mass spectrometer such as sources, analyzers and detectors followed by a brief introduction of mass spectrometry-based proteomics. In the second chapter, the proteomics analysis of platelet-derived microparticles under different agonist stimulations has been described. In the third chapter, the PTMs analysis of platelet-derived microparticles has ...

  1. Mass spectrometry for determination of bioactive compounds

    Digital Repository Service at National Institute of Oceanography (India)

    Tilvi, S.; Majik, M.S.; Singh, K.S.

    cell. This type of experiment is particularly useful for monitoring groups of compounds contained within a mixture which fragment to produce common fragment ions, e.g. glycosylated peptides in a tryptic digest mixture, aliphatic hydrocarbons in an oil... in a matrix e.g. drug testing with blood or urine samples. It is not only a highly specific method but also has very high sensitivity. For known compounds, mass spectra can be used much like fingerprints. A match is extremely strong evidence...

  2. Statistical design of mass spectrometry calibration procedures

    International Nuclear Information System (INIS)

    The main objective of this task was to agree on calibration procedures to estimate the system parameters (i.e., dead-time correction, ion-counting conversion efficiency, and detector efficiency factors) for SAL's new Finnigan MAT-262 mass spectrometer. SAL will use this mass spectrometer in a clean-laboratory which was opened in December 1995 to measure uranium and plutonium isotopes on environmental samples. The Finnigan MAT-262 mass spectrometer has a multi-detector system with seven Faraday cup detectors and one ion- counter for the measurement of very small signals (e.g. 10-17 Ampere range). ORNL has made preliminary estimates of the system parameters based on SAL's experimental data measured in late 1994 when the Finnigan instrument was relatively new. SAL generated additional data in 1995 to verify the calibration procedures for estimating the dead-time correction factor, the ion-counting conversion factor and the Faraday cup detector efficiency factors. The system parameters estimated on the present data will have to be reestablished when the Finnigan MAT-262 is moved-to the new clean- laboratory. Different methods will be used to analyzed environmental samples than the current measurement methods being used. For example, the environmental samples will be electroplated on a single filament rather than using the current two filament system. An outline of the calibration standard operating procedure (SOP) is included

  3. Application of Laser Mass Spectrometry to Art and Archaeology

    Science.gov (United States)

    Gulian, Lase Lisa E.; Callahan, Michael P.; Muliadi, Sarah; Owens, Shawn; McGovern, Patrick E.; Schmidt, Catherine M.; Trentelman, Karen A.; deVries, Mattanjah S.

    2011-01-01

    REMPI laser mass spectrometry is a combination of resonance enhanced multiphoton ionization spectroscopy and time of flight mass spectrometry, This technique enables the collection of mass specific optical spectra as well as of optically selected mass spectra. Analytes are jet-cooled by entrainment in a molecular beam, and this low temperature gas phase analysis has the benefit of excellent vibronic resolution. Utilizing this method, mass spectrometric analysis of historically relevant samples can be simplified and improved; Optical selection of targets eliminates the need for chromatography while knowledge of a target's gas phase spectroscopy allows for facile differentiation of molecules that are in the aqueous phase considered spectroscopically indistinguishable. These two factors allow smaller sample sizes than commercial MS instruments, which in turn will require less damage to objects of antiquity. We have explored methods to optimize REMPI laser mass spectrometry as an analytical tool to archaeology using theobromine and caffeine as molecular markers in Mesoamerican pottery, and are expanding this approach to the field of art to examine laccaic acid in shellacs.

  4. On the structural denaturation of biological analytes in trapped ion mobility spectrometry - mass spectrometry.

    Science.gov (United States)

    Liu, Fanny C; Kirk, Samuel R; Bleiholder, Christian

    2016-06-01

    Key to native ion mobility/mass spectrometry is to prevent the structural denaturation of biological molecules in the gas phase. Here, we systematically assess structural changes induced in the protein ubiquitin during a trapped ion mobility spectrometry (TIMS) experiment. Our analysis shows that the extent of structural denaturation induced in ubiquitin ions is largely proportional to the amount of translational kinetic energy an ion gains from the applied electric field between two collisions with buffer gas particles. We then minimize the efficiency of the structural denaturation of ubiquitin ions in the gas phase during a TIMS experiment. The resulting "soft" TIMS spectra of ubiquitin are found largely identical to those observed on "soft" elevated-pressure ion mobility drift tubes and the corresponding calibrated cross sections are consistent with structures reported from NMR experiments for the native and A-state of ubiquitin. Thus, our analysis reveals that TIMS is useful for native ion mobility/mass spectrometry analysis. PMID:26998732

  5. Mass spectrometry and mass spectrography with spark source

    International Nuclear Information System (INIS)

    The analysis of geological materials for traces of elements can be performed using mass-spectrometric isotopic dilution, as well as mass-spectrography with a spark source. The review contains the data on the application of above analyses in geochemical analysis

  6. Hands-on Electrospray Ionization-Mass Spectrometry for Upper-Level Undergraduate and Graduate Students

    Science.gov (United States)

    Stock, Naomi L.; March, Raymond E.

    2014-01-01

    Electrospray ionization-mass spectrometry (ESI-MS) is a powerful technique for the detection, identification, and quantification of organic compounds. As mass spectrometers have become more user-friendly and affordable, many students--often with little experience in mass spectrometry--find themselves needing to incorporate mass spectrometry into…

  7. Photoionization mass spectrometry of UF6

    International Nuclear Information System (INIS)

    The photoionization mass spectrum of 238UF6 was obtained. At 600 A = 20.66 eV, the relative ionic abundances were as follows: UF6+, 1.4; UF5+, 100; UF+, 17; UF3+, approx. 0.7; UF2+, very weak; UF+, very weak; U+, essentially zero. The adiabatic ionization potential for UF6 was 13.897 +- 0.005 eV. The production of UF5+ begins at approx. 887 A = 13.98 eV, at which energy the UF6+ partial cross section abruptly declines and then levels off. This behavior suggests the vague possibility of an isotope effect. The UF4+ signal begins at approx. 725 A = 17.10 eV, at which energy the UF5+ signal reaches a plateau value. The UF5+ photoionization yield curve displays some autoionization structure from its threshold to approx. 750 A

  8. Principle and analytical applications of resonance ionization mass spectrometry

    International Nuclear Information System (INIS)

    Resonance ionization mass spectrometry (RIMS) is a very sensitive analytical technique for the detection of trace elements. This method is based on the excitation and ionization of atoms with resonant laser light followed by mass analysis. It allows element and, in some cases, isotope selective ionization and is applicable to most of the elements of the periodic table. A high selectivity can be achieved by applying three step photoionization of the elements under investigation and an additional mass separation for an unambiguous isotope assignment. An effective facility for resonance ionization mass spectrometry consists of three dye lasers which are pumped by two copper vapor lasers and of a linear time-of-flight spectrometer with a resolution better than 2500. Each copper vapor laser has a pulse repetition rate of 6,5 kHz and an average output power of 30 W. With such an apparatus measurements with lanthanide-, actinide-, and technetium-samples have been performed. By saturating the excitation steps and by using autoionizing states for ionization step a detection efficiency of 4 x 10-6 and 2,5 x 10-6 has been reached for plutonium and technetium, respectively, leading to a detection limit of less than 107 atoms in the sample. Measurements of isotope ratios of plutonium samples were in good agreement with mass-spectrometric data. The high elemental selectivity of the resonance ionization spectrometry could be demonstrated. (Authors)

  9. Recent developments in Penning-trap mass spectrometry

    Science.gov (United States)

    Block, M.

    2016-06-01

    Penning-trap mass spectrometry provides atomic masses with the highest precision. At accelerator-based on-line facilities it is applied to investigate exotic radionuclides in the context of tests of fundamental symmetries, nuclear structure studies, and nuclear astrophysics research. Recent progress in slowing down radioactive ion-beams in buffer-gas cells in combination with advanced ion-manipulation techniques has paved the way to reach nuclides ever-more far from stability. In this endeavor many efforts are underway to increase the sensitivity, the efficiency, and the precision of Penning-trap mass spectrometry. In this article some recent experimental developments are addressed with the focus on the phase-imaging ion-cyclotron-resonance technique and the Fourier transform ion-cyclotron-resonance technique.

  10. Precise atomic mass measurements by deflection mass spectrometry

    CERN Document Server

    Barber, R C

    2003-01-01

    Since its inception nearly 90 years ago by J.J. Thomson, the precise determination of atomic masses by the classical technique of deflecting charged particles in electric and magnetic fields has provided a large body of data on naturally occurring nuclides. Currently, such measurements on stable nuclides have frequently achieved a precision of better than two parts in 10 sup 9 of the mass. A review of the technique, together with a brief summary of the important historical developments in the field of precise atomic mass measurements, will be given. The more recent contributions to this field by the deflection mass spectrometer at the University of Manitoba will be provided as illustrations of the culmination of the techniques used and the applications that have been studied. A brief comparison between this and newer techniques using Penning traps will be presented.

  11. Precise atomic mass measurements by deflection mass spectrometry

    Science.gov (United States)

    Barber, R. C.; Sharma, K. S.

    2003-05-01

    Since its inception nearly 90 years ago by J.J. Thomson, the precise determination of atomic masses by the classical technique of deflecting charged particles in electric and magnetic fields has provided a large body of data on naturally occurring nuclides. Currently, such measurements on stable nuclides have frequently achieved a precision of better than two parts in 10 9 of the mass. A review of the technique, together with a brief summary of the important historical developments in the field of precise atomic mass measurements, will be given. The more recent contributions to this field by the deflection mass spectrometer at the University of Manitoba will be provided as illustrations of the culmination of the techniques used and the applications that have been studied. A brief comparison between this and newer techniques using Penning traps will be presented.

  12. POTAMOS mass spectrometry calculator: computer aided mass spectrometry to the post-translational modifications of proteins. A focus on histones.

    Science.gov (United States)

    Vlachopanos, A; Soupsana, E; Politou, A S; Papamokos, G V

    2014-12-01

    Mass spectrometry is a widely used technique for protein identification and it has also become the method of choice in order to detect and characterize the post-translational modifications (PTMs) of proteins. Many software tools have been developed to deal with this complication. In this paper we introduce a new, free and user friendly online software tool, named POTAMOS Mass Spectrometry Calculator, which was developed in the open source application framework Ruby on Rails. It can provide calculated mass spectrometry data in a time saving manner, independently of instrumentation. In this web application we have focused on a well known protein family of histones whose PTMs are believed to play a crucial role in gene regulation, as suggested by the so called "histone code" hypothesis. The PTMs implemented in this software are: methylations of arginines and lysines, acetylations of lysines and phosphorylations of serines and threonines. The application is able to calculate the kind, the number and the combinations of the possible PTMs corresponding to a given peptide sequence and a given mass along with the full set of the unique primary structures produced by the possible distributions along the amino acid sequence. It can also calculate the masses and charges of a fragmented histone variant, which carries predefined modifications already implemented. Additional functionality is provided by the calculation of the masses of fragments produced upon protein cleavage by the proteolytic enzymes that are most widely used in proteomics studies. PMID:25450216

  13. Ion focusing procedures in time-of-flight mass spectrometry

    International Nuclear Information System (INIS)

    The intact ionisation of big molecules by soft ionisation methods, as matrix assisted laser desorption ionisation and fast atom bombardment, paved the way of mass spectrometry to very high mass ranges (approaching the million of Daltons). This was possible by the branch of time-of-flight mass spectrometry. However, time-of-flight mass spectrometry is lagging far behind other branches as mass resolution, the highest value recently reported being of 45 000. This is a well-documented reason why in time-of-flight mass spectrometry ion packet focusing remains a hot problem. The space focusing in time in linear drift time-of-flight mass spectrometers is discussed including first and second order focusing conditions, second and third order aberrations. The resolution of such instruments is determined and compared to the real performances of some constructed instruments. The focusing conditions for delayed ion extraction are presented and examples given for presently used time of flight mass spectrometers with matrix assisted laser desorption ionisation sources. The post source ionisation method and its effect on the spectrometer mass scale are detailed. The ion energy focusing in time to first and second order in single and double staged electric field mirrors is studied. An explanation is given why time-of-flight mass spectrometers including mirrors are able of much higher resolutions than those based on flight on drift spaces only. The major interest in careful velocity focusing is expressed by the use of the delayed extraction in time of flight mass spectrometers, which include reflectrons. Again, the focusing conditions and aberrations are detailed. A special attention is focused on the possibility to obtain high order velocity focusing for ions created on the surface of hyperbolic electrodes. Also the focusing methods with perfect time focusing by hyperbolic traps and by the so-called 'curved field' were reviewed, especially as means to focus fragment ions from

  14. Microscale mass spectrometry systems, devices and related methods

    Science.gov (United States)

    Ramsey, John Michael

    2016-06-21

    Mass spectrometry systems or assemblies therefore include an ionizer that includes at least one planar conductor, a mass analyzer with a planar electrode assembly, and a detector comprising at least one planar conductor. The ionizer, the mass analyzer and the detector are attached together in a compact stack assembly. The stack assembly has a perimeter that bounds an area that is between about 0.01 mm.sup.2 to about 25 cm.sup.2 and the stack assembly has a thickness that is between about 0.1 mm to about 25 mm.

  15. Small system for tritium accelerator mass spectrometry

    Science.gov (United States)

    Roberts, Mark L.; Davis, Jay C.

    1993-01-01

    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.

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

    CERN Document Server

    Smith, Donald F; Leach, Franklin E; Robinson, Errol W; Paša-Tolić, Ljiljana; Heeren, Ron M A

    2013-01-01

    Biological tissue imaging by secondary ion mass spectrometry has seen rapid development with the commercial availability of polyatomic primary ion sources. Endogenous lipids and other small bio-molecules can now be routinely mapped on the sub-micrometer scale. Such experiments are typically performed on time-of-flight mass spectrometers for high sensitivity and high repetition rate imaging. However, such mass analyzers lack the mass resolving power to ensure separation of isobaric ions and the mass accuracy for elemental formula assignment based on exact mass measurement. We have recently reported a secondary ion mass spectrometer with the combination of a C60 primary ion gun with a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) for high mass resolving power, high mass measurement accuracy and tandem mass spectrometry capabilities. In this work, high specificity and high sensitivity secondary ion FT-ICR MS was applied to chemical imaging of biological tissue. An entire rat brain tissu...

  17. Isotope effects in mass-spectrometry

    International Nuclear Information System (INIS)

    In the first part, a review is made of the work concerning the influence of isotopic substitution on the stabilities of ionised molecules and the bond-breaking probabilities; metastable transitions are also affected by this substitution. A model based on the Franck-Condon principle accounts for the experimentally observed isotopic effects for diatomic molecules; to a certain extent it is possible to generalise the calculation for the case of isotopic molecules of carbon dioxide gas. For deuterated polyatomic molecules there exist a π effect making it possible to compare the relative stabilities of the X-H and X-D bonds, and a γ effect which characterizes the different behaviours of the X-H bond in a normal molecule and in its partially deuterated homologue. Usually there is a very marked π effect (e.g. the C-D bonds are more difficult to break than the homologous C-H bonds) and a γ effect, the partial deuteration of a molecule leading in general to an increase in the probability of breakage of a given bond. An interpretation of π and γ effects based on Rosenstock near-equilibrium theory accounts for the observed phenomena, qualitatively at least, in the case of propane and acetylene. In the second part are gathered together results concerning isotopic effects produced during the formation of rearranged ions. The existence of cyclic transition ions has made it possible for Mc Lafferty to explain the existence of these ions in the mass spectrum; isotopic substitution leads to a modification of the rearrangement mechanism, the bonding forces being no longer the same. (author)

  18. Preparation and characterisation of 234U tracer for mass spectrometry and alpha spectrometry

    International Nuclear Information System (INIS)

    234U was milked from 15 years aged 238Pu prepared earlier by neutron irradiation of 237Np. Ion exchange procedure using Dowex 1 X 8 resin in the nitric acid medium was followed for this purpose, in a glove box. The purified 234U was characterised by alpha spectrometry and thermal ionisation mass spectrometry for its 238Pu content and the isotopic composition of uranium, respectively. Alpha activity ratio of 234U/238Pu was 0.015 and the abundance of 234U was about 99 atom percent. (author). 1 fig

  19. Optimization of Whole-Body Zebrafish Sectioning Methods for Mass Spectrometry Imaging

    Science.gov (United States)

    Mass spectrometry imaging methods and protocols have become widely adapted to a variety of tissues and species. However, the mass spectrometry imaging literature contains minimal information on whole-body cryosection preparation for the zebrafish (Danio rerio), a model organism ...

  20. Metabolism of halogenated compounds in the white rot fungus Bjerkandera adusta studied by membrane inlet mass spectrometry and tandem mass spectrometry

    DEFF Research Database (Denmark)

    Beck, Hans Christian; Lauritsen, F.R.; Patrick, J.S.;

    1996-01-01

    Membrane inlet mass spectrometry has been used for the characterization of halogenated organic compounds produced by the fungus Bjerkandera adusta. Using this technique, electron impact-, chemical ionization-, electron capture negative chemical ionization-mass spectra and tandem mass spectra were...

  1. Application of Mass Spectrometry in the Synthesis and Characterization of Metal Nanoclusters.

    Science.gov (United States)

    Lu, Yizhong; Chen, Wei

    2015-11-01

    In recent years, mass spectrometry has been widely used in the characterization of metal nanoclusters. In this Feature, we first give an introductory tutorial on mass spectrometry and then highlight the versatile applications of mass spectrometry in accurately analyzing core size, atom-level composition, charge states, etc. of metal nanoclusters and size evolution during synthesis. Finally, some perspectives on the future applications of mass spectrometry in nanocluster research are given. PMID:26086315

  2. The Use of Gas Chromatography and Mass Spectrometry to Introduce General Chemistry Students to Percent Mass and Atomic Mass Calculations

    Science.gov (United States)

    Pfennig, Brian W.; Schaefer, Amy K.

    2011-01-01

    A general chemistry laboratory experiment is described that introduces students to instrumental analysis using gas chromatography-mass spectrometry (GC-MS), while simultaneously reinforcing the concepts of mass percent and the calculation of atomic mass. Working in small groups, students use the GC to separate and quantify the percent composition…

  3. Fourier Transform Mass Spectrometry: The Transformation of Modern Environmental Analyses

    Directory of Open Access Journals (Sweden)

    Lucy Lim

    2016-01-01

    Full Text Available Unknown compounds in environmental samples are difficult to identify using standard mass spectrometric methods. Fourier transform mass spectrometry (FTMS has revolutionized how environmental analyses are performed. With its unsurpassed mass accuracy, high resolution and sensitivity, researchers now have a tool for difficult and complex environmental analyses. Two features of FTMS are responsible for changing the face of how complex analyses are accomplished. First is the ability to quickly and with high mass accuracy determine the presence of unknown chemical residues in samples. For years, the field has been limited by mass spectrometric methods that were based on knowing what compounds of interest were. Secondly, by utilizing the high resolution capabilities coupled with the low detection limits of FTMS, analysts also could dilute the sample sufficiently to minimize the ionization changes from varied matrices.

  4. Enhanced imaging of developed fingerprints using mass spectrometry imaging.

    Science.gov (United States)

    Bailey, M J; Ismail, M; Bleay, S; Bright, N; Levin Elad, M; Cohen, Y; Geller, B; Everson, D; Costa, C; Webb, R P; Watts, J F; de Puit, M

    2013-11-01

    Latent fingermarks are invisible to the naked eye and normally require the application of a chemical developer followed by an optical imaging step in order to visualize the ridge detail. If the finger deposition is poor, or the fingermark is aged, it can sometimes be difficult to produce an image of sufficient quality for identification. In this work, we show for the first time how mass spectrometry imaging (in this case time-of-flight secondary ion mass spectrometry, ToF-SIMS) can be used to enhance the quality of partially recovered fingermarks. We show three examples of how chemical imaging can be used to obtain enhanced images of fingermarks deposited on aluminium foil, glass and the handle of a hand grenade compared with conventional development techniques. PMID:23991428

  5. Analysis of tear glucose concentration with electrospray ionization mass spectrometry.

    Science.gov (United States)

    Taormina, Christopher R; Baca, Justin T; Asher, Sanford A; Grabowski, Joseph J; Finegold, David N

    2007-02-01

    We have developed a mass spectrometry-based method that allows one to accurately determine the glucose concentration of tear fluid. We used a 1 microL micro-capillary to collect tear fluid from the tear meniscus with minimal irritation of the eye. We analyzed the 1 muL volume of collected tear fluid with liquid-chromatography electrospray ionization mass spectrometry with the use of D-glucose-6,6-d2 as an internal standard. Repeated measurements and a recovery experiment on pooled, onion-induced tears showed that the analysis of the glucose in tears was precise (4% relative standard deviation) and provided 100% recovery. We found the tear glucose concentration of one fasting nondiabetic subject to be 13 to 51 microM while the onion-induced tear glucose concentration of a different nondiabetic subject to be 211 to 256 microM. PMID:17084090

  6. Desorption and ionization processes in laser mass spectrometry

    International Nuclear Information System (INIS)

    In this thesis results are reported from a study on the desorption- and ionization process initiated by infra-red laser irradiation (LDMS) or ion bombardment (SIMS) of thin organic sample layers. The study is especially focused on the formation of quasimolecular ions under these conditions. Results of these investigations can be used for a better optimization of the LDMS and SIMS techniques in organic mass spectrometry. First, an overview is given of laser desorption mass spectrometry. Next, the coupling of the laser energy into the organic sample layer is investigated. It is concluded that the laser energy is primarily absorbed by the substrate material and not by the organic overlayer. The formation of quasi-molecular ions, either in the gas phase or in the substrate surface is investigated. The final section reports kinetic energy distributions for ions sputtered from organic solids and liquids. (Auth.)

  7. Applications of liquid chromatography-mass spectrometry for food analysis.

    Science.gov (United States)

    Di Stefano, Vita; Avellone, Giuseppe; Bongiorno, David; Cunsolo, Vincenzo; Muccilli, Vera; Sforza, Stefano; Dossena, Arnaldo; Drahos, László; Vékey, Károly

    2012-10-12

    HPLC-MS applications in the agrifood sector are among the fastest developing fields in science and industry. The present tutorial mini-review briefly describes this analytical methodology: HPLC, UHPLC, nano-HPLC on one hand, mass spectrometry (MS) and tandem mass spectrometry (MS/MS) on the other hand. Analytical results are grouped together based on the type of chemicals analyzed (lipids, carbohydrates, glycoproteins, vitamins, flavonoids, mycotoxins, pesticides, allergens and food additives). Results are also shown for various types of food (ham, cheese, milk, cereals, olive oil and wines). Although it is not an exhaustive list, it illustrates the main current directions of applications. Finally, one of the most important features, the characterization of food quality (including problems of authentication and adulteration) is discussed, together with a future outlook on future directions. PMID:22560344

  8. A nested mixture model for protein identification using mass spectrometry

    CERN Document Server

    Li, Qunhua; Stephens, Matthew; 10.1214/09-AOAS316

    2010-01-01

    Mass spectrometry provides a high-throughput way to identify proteins in biological samples. In a typical experiment, proteins in a sample are first broken into their constituent peptides. The resulting mixture of peptides is then subjected to mass spectrometry, which generates thousands of spectra, each characteristic of its generating peptide. Here we consider the problem of inferring, from these spectra, which proteins and peptides are present in the sample. We develop a statistical approach to the problem, based on a nested mixture model. In contrast to commonly used two-stage approaches, this model provides a one-stage solution that simultaneously identifies which proteins are present, and which peptides are correctly identified. In this way our model incorporates the evidence feedback between proteins and their constituent peptides. Using simulated data and a yeast data set, we compare and contrast our method with existing widely used approaches (PeptideProphet/ProteinProphet) and with a recently publis...

  9. Development of capillary zone electrophoresis-mass spectrometry

    International Nuclear Information System (INIS)

    Recently we described the first on-line combination of CZE with mass spectrometry, which also represented the first reported direct combination of any electrophoretic separation technique with mass spectrometry. This development was based upon the recognition that both ends of the CZE capillary did not have to be immersed in buffer reservoirs, as conventionally practiced. This provided a basis for new detection methods in which the electro-osmotically induced flow could be analyzed at the column terminus. The strong electro-osmotic flow in CZE, which results from the strong zeta potential of most amenable capillary surfaces, is sufficiently large under many conditions to result in elution of ions having both positive and negative electrophoretic mobilities in a single separation. Nonaqueous buffers also allow compounds to be separated which are somewhat less polar than feasible in aqueous systems, effectively providing a range of applications which should overlap with those of SFC

  10. Development and applications of ionization techniques in ambient mass spectrometry

    Czech Academy of Sciences Publication Activity Database

    Rejšek, Jan; Vrkoslav, Vladimír; Cvačka, Josef

    Brno : Institute of Analytical Chemistry AS CR, 2014 - (Foret, F.; Křenková, J.; Drobníková, I.; Guttman, A.; Klepárník, K.), s. 97-98 ISBN 978-80-904959-2-0. [CECE 2014. International Interdisciplinary Meeting on Bioanalysis /11./. Brno (CZ), 20.10.2014-22.10.2014] R&D Projects: GA ČR GP13-25137P; GA ČR GAP206/12/0750 Grant ostatní: GA AV ČR(CZ) M200551204 Institutional support: RVO:61388963 Keywords : ambient mass spectrometry * desorption electrospray ionization * desorption atmospheric pressure photoionization * thin-layer chromatography * insect defense compounds * mass spectrometry imaging Subject RIV: CB - Analytical Chemistry, Separation

  11. Centrosome isolation and analysis by mass spectrometry-based proteomics

    DEFF Research Database (Denmark)

    Jakobsen, Lis; Schrøder, Jacob Morville; Larsen, Katja M;

    2013-01-01

    Centrioles are microtubule-based scaffolds that are essential for the formation of centrosomes, cilia, and flagella with important functions throughout the cell cycle, in physiology and during development. The ability to purify centriole-containing organelles on a large scale, combined with advan...... isolate centrosomes from human cells and strategies to selectively identify and study the properties of the associated proteins using quantitative mass spectrometry-based proteomics.......Centrioles are microtubule-based scaffolds that are essential for the formation of centrosomes, cilia, and flagella with important functions throughout the cell cycle, in physiology and during development. The ability to purify centriole-containing organelles on a large scale, combined with...... advances in protein identification using mass spectrometry-based proteomics, have revealed multiple centriole-associated proteins that are conserved during evolution in eukaryotes. Despite these advances, the molecular basis for the plethora of processes coordinated by cilia and centrosomes is not fully...

  12. Decoding signalling networks by mass spectrometry-based proteomics

    DEFF Research Database (Denmark)

    Choudhary, Chuna Ram; Mann, Matthias

    2010-01-01

    Signalling networks regulate essentially all of the biology of cells and organisms in normal and disease states. Signalling is often studied using antibody-based techniques such as western blots. Large-scale 'precision proteomics' based on mass spectrometry now enables the system-wide characteriz......Signalling networks regulate essentially all of the biology of cells and organisms in normal and disease states. Signalling is often studied using antibody-based techniques such as western blots. Large-scale 'precision proteomics' based on mass spectrometry now enables the system...... perturbation. Current studies focus on phosphorylation, but acetylation, methylation, glycosylation and ubiquitylation are also becoming amenable to investigation. Large-scale proteomics-based signalling research will fundamentally change our understanding of signalling networks....

  13. Practical aspects of trapped ion mass spectrometry, 5 applications of ion trapping devices

    CERN Document Server

    March, Raymond E

    2009-01-01

    Examines ion/neutral and ion/ion reactions, ion spectroscopy, and the structural characterization of proteins and peptides using quadropole ion trap mass spectrometry, Fourier transform - ion cyclotron resonance (FT-ICR) mass spectrometry, and traveling wave ion mobility mass spectrometry.

  14. Quantitative Proteomics Using Ultralow Flow Capillary Electrophoresis–Mass Spectrometry

    OpenAIRE

    Faserl, Klaus; Kremser, Leopold; Müller, Martin; Teis, David; Lindner, Herbert H.

    2015-01-01

    In this work, we evaluate the incorporation of an ultralow flow interface for coupling capillary electrophoresis (CE) and mass spectrometry (MS), in combination with reversed-phase high-pressure liquid chromatography (HPLC) fractionation as an alternate workflow for quantitative proteomics. Proteins, extracted from a SILAC (stable isotope labeling by amino acids in cell culture) labeled and an unlabeled yeast strain were mixed and digested enzymatically in solution. The resulting peptides wer...

  15. Resonance ionization mass spectrometry at Los Alamos National Laboratory

    International Nuclear Information System (INIS)

    Two approaches to Resonance Ionization Mass Spectrometry (RIMS) at Los Alamos National Laboratory are discussed. The first is the use of continuous-wave dye lasers as the ionization source, and the use of pulse counting detection; and results are presented for lutetium and technetium. The second approach is the use of multiphoton resonances in the pulsed laser excitation of atoms. Experiments with 2 + 1 [photons to resonance plus photons to ionize] RIMS schemes for several elements are discussed. (author)

  16. Targeted analysis of glycomics liquid chromatography/mass spectrometry data

    OpenAIRE

    Dreyfuss, Jonathan M.; Jacobs, Christopher; Gindin, Yevgeniy; Benson, Gary; Staples, Gregory O.; Zaia, Joseph

    2010-01-01

    Hydrophilic interaction chromatography (HILIC) liquid chromatography/mass spectrometry (LC/MS) is appropriate for all native and reductively aminated glycan classes. HILIC carries the advantage that retention times (RTs) vary predictably according to oligosaccharide composition. Chromatographic conditions are compatible with sensitive and reproducible glycomics analysis of large numbers of samples. The data are extremely useful for quantitative profiling of glycans expressed in biological tis...

  17. Current Status and Advances in Quantitative Proteomic Mass Spectrometry

    OpenAIRE

    Valerie C. Wasinger; Zeng, Ming; Yau, Yunki

    2013-01-01

    The accurate quantitation of proteins and peptides in complex biological systems is one of the most challenging areas of proteomics. Mass spectrometry-based approaches have forged significant in-roads allowing accurate and sensitive quantitation and the ability to multiplex vastly complex samples through the application of robust bioinformatic tools. These relative and absolute quantitative measures using label-free, tags, or stable isotope labelling have their own strengths and limitations. ...

  18. Extractive Electrospray Ionization Mass Spectrometry for Uranium Chemistry Studies

    OpenAIRE

    Chen, Huanwen; Luo, Mingbiao; Xiao, Saijin; OUYANG Yongzhong; Zhou, Yafei; Zhang, Xinglei

    2013-01-01

    Uranium chemistry is of sustainable interest. Breakthroughs in uranium studies make serious impacts in many fields including chemistry, physics, energy and biology, because uranium plays fundamentally important roles in these fields. Substantial progress in uranium studies normally requires development of novel analytical tools. Extractive electrospray ionization mass spectrometry (EESI-MS) is a sensitive technique for trace detection of various analytes in complex matrices without sample pre...

  19. Analysis of Ketones by Selected Ion Flow Tube Mass Spectrometry

    Czech Academy of Sciences Publication Activity Database

    Smith, D.; Wang, T.; Španěl, Patrik

    2003-01-01

    Roč. 17, - (2003), s. 2655-2660. ISSN 0951-4198 R&D Projects: GA ČR GA202/03/0827; GA ČR GA203/02/0737 Institutional research plan: CEZ:AV0Z4040901 Keywords : mass spectrometry * selected ion flow tube * ketones Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.789, year: 2003

  20. Sheathless interface for coupling capillary electrophoresis with mass spectrometry

    Science.gov (United States)

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

    2014-06-17

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

  1. Detection of explosives on skin using ambient ionization mass spectrometry.

    Science.gov (United States)

    Justes, Dina R; Talaty, Nari; Cotte-Rodriguez, Ismael; Cooks, R Graham

    2007-06-01

    Single nanogram amounts of the explosives TNT, RDX, HMX, PETN and their mixtures were detected and identified in a few seconds on the surface of human skin without any sample preparation by desorption electrospray ionization (DESI) using a spray solution of methanol-water doped with sodium chloride to form the chloride adducts with RDX, HMX, and PETN while TNT was examined as the radical anion and tandem mass spectrometry was used to confirm the identifications. PMID:17520116

  2. Proteomics and Mass Spectrometry Applications in Biomedical Research

    OpenAIRE

    Chow, M; Zheng, R; Silva-Sanchez, C.; Koh, J; Chen, S.; Diaz, C.

    2011-01-01

    Proteomics and mass spectrometry have provided unprecedented tools for fast, accurate, high throughput biomolecular separation and characterization, which are indispensable towards understanding the biological and medical systems. Studying at the protein level allows researchers to investigate how proteins, their dynamics and modifications affect cellular processes and how cellular processes and the environment affect proteins. The mission of our facility is to provide excellent service and t...

  3. Charge Prediction of Lipid Fragments in Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-12-18

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

  4. T Cells Recognizing a Peptide Contaminant Undetectable by Mass Spectrometry

    OpenAIRE

    Brezar, Vedran; Culina, Slobodan; Østerbye, Thomas; Guillonneau, François; Chiappetta, Giovanni; Verdier, Yann; Vinh, Joelle; Wong, F. Susan; Buus, Søren; Mallone, Roberto

    2011-01-01

    Synthetic peptides are widely used in immunological research as epitopes to stimulate their cognate T cells. These preparations are never completely pure, but trace contaminants are commonly revealed by mass spectrometry quality controls. In an effort to characterize novel major histocompatibility complex (MHC) Class I-restricted β-cell epitopes in non-obese diabetic (NOD) mice, we identified islet-infiltrating CD8+ T cells recognizing a contaminating peptide. The amount of this contaminant w...

  5. Removal of detergents from protein digests for mass spectrometry analysis

    OpenAIRE

    Yeung, Yee-Guide; Nieves, Edward; Angeletti, Ruth; Stanley, E. Richard

    2008-01-01

    Detergents are commonly used for the extraction of hydrophobic proteins and must be removed for sensitive detection of peptides by mass spectrometry (MS). We demonstrate that ethyl acetate (EA) is able to extract octylglycoside (OG) from a protease digest without loss of peptides or interference with the MS peptide spectral profile. EA extraction was also found to reduce interference of SDS, NP-40 or Triton X-100 in the MS analysis.

  6. Evaluation of Physiological Amino Acids Profiling by Tandem Mass Spectrometry

    OpenAIRE

    Filee, Romain; Schoos, Roland; Boemer, François

    2013-01-01

    Background: Nowadays, the most conventional method to quantify physiological amino acids consists in ion exchange chromatography (IEC) followed by post-column ninhydrin derivatization and UV detection at two wavelengths. Unfortunately, the technique presents some drawbacks such as long run time, large sample volume, and specific costs associated to the maintenance of a dedicated instrument. Therefore, we aimed to switch towards a mass spectrometry approach.

  7. Report of the consultants' meeting on accelerator mass spectrometry

    International Nuclear Information System (INIS)

    Accelerator Mass Spectrometry (AMS) has developed into a major analytical tool for the measurement of ultra-low-level long-lived radionuclides. Its use within the IAEA is recommended by the consultants in this meeting. The IAEA programs in which the technology would be useful and beneficial are: safeguards, physical and chemical sciences, human health, food and agriculture, radioactive waste management, radiation safety, industry and earth sciences

  8. Cholesterol efflux analyses using stable isotopes and mass spectrometry

    OpenAIRE

    Robert J Brown; Shao, Fei; Baldán, Ángel; Albert, Carolyn J.; Ford, David A.

    2012-01-01

    Cholesterol efflux from macrophages and the vascular wall is the initial step of the cardiovascular protective reverse cholesterol transport process. This study demonstrates a mass spectrometry based assay to measure the cellular and media content of [d7]-cholesterol and unlabeled cholesterol that can be used to measure cholesterol efflux from cell lines. Using a triple quadrupole ESI-MS instrument in direct infusion mode, product ion scanning for m/z 83, neutral loss (NL) 375.5 scanning and ...

  9. Mass spectrometry of peptides from bumblebee venom reservoirs

    Czech Academy of Sciences Publication Activity Database

    Cvačka, Josef; Voburka, Zdeněk; Hovorka, Oldřich; Nováková, Kateřina; Valterová, Irena; Čeřovský, Václav

    Praha: Ústav organické chemie a biochemie AV ČR, 2007 - (Slaninová, J.), s. 29-32. (Collection Symposium Series. 9). ISBN 978-80-86241-28-9. [Biologically Active Peptides /10./. Praha (CZ), 11.04.2007-13.04.2007] Institutional research plan: CEZ:AV0Z40550506 Keywords : mass spectrometry * antimicrobial activity Subject RIV: CC - Organic Chemistry

  10. Metabolome analysis - mass spectrometry and microbial primary metabolites

    OpenAIRE

    Højer-Pedersen, Jesper Juul; Nielsen, Jens; Smedsgaard, Jørn

    2008-01-01

    While metabolite profiling has been carried out for decades, the scope for metabolite analysis have recently been broadened to aim at all metabolites in a living organism – also referred to as the metabolome. This is a great challenge, which requires versatile analytical technologies that are highly sensitive and specific, and to undertake this challenge mass spectrometry (MS) is among the best candidates. Along with analysis of the metabolome the research area of metabolomics has evolved. Me...

  11. Characterization of Enterobacteria using MALDI-TOF mass spectrometry.

    Science.gov (United States)

    Pribil, Patrick; Fenselau, Catherine

    2005-09-15

    A method is proposed for the rapid classification of Gram-negative Enterobacteria using on-slide solubilization and trypsin digestion of proteins, followed by MALDI-TOF MS analysis. Peptides were identified from tryptic digests using microsequencing by tandem mass spectrometry and database searches. Proteins from the outer membrane family (OMP) were consistently identified in the Enterobacteria Escherichia coli, Enterobacter cloacae, Erwinia herbicola, and Salmonella typhimurium. Database searches indicate that these OMP peptides observed are unique to the Enterobacteria order. PMID:16159146

  12. Oxidative protein labeling in mass-spectrometry-based proteomics

    OpenAIRE

    Roeser, Julien; Bischoff, Rainer; Bruins, Andries P.; Permentier, Hjalmar P.

    2010-01-01

    Oxidation of proteins and peptides is a common phenomenon, and can be employed as a labeling technique for mass-spectrometry-based proteomics. Nonspecific oxidative labeling methods can modify almost any amino acid residue in a protein or only surface-exposed regions. Specific agents may label reactive functional groups in amino acids, primarily cysteine, methionine, tyrosine, and tryptophan. Nonspecific radical intermediates (reactive oxygen, nitrogen, or halogen species) can be produced by ...

  13. Standards for uranium hexafluoride (UF6) mass spectrometry

    OpenAIRE

    Richter, Stephan; Kühn, H.; TRUYENS Jan; MIALLE SÉBASTIEN; Aregbe, Yetunde

    2013-01-01

    For UF6 mass spectrometry two types of "standards" are equally important: firstly "documentary standards" which describe specific measurement techniques and associated calculations, and secondly "material standards" which are preferentially SItraceable certified isotopic reference materials, as e.g. provided by the European Commission's Institute for Reference Materials and Measurements (IRMM). Recently the IRMM has upgraded its facilities for uranium isotopic measurements using uranium he...

  14. Accelerator mass spectrometry for quantitative in vivo tracing

    Energy Technology Data Exchange (ETDEWEB)

    Vogel, J S

    2005-04-19

    Accelerator mass spectrometry (AMS) counts individual rare, usually radio-, isotopes such as radiocarbon at high efficiency and specificity in milligram-sized samples. AMS traces very low chemical doses ({micro}g) and radiative doses (100 Bq) of isotope labeled compounds in animal models and directly in humans for pharmaceutical, nutritional, or toxicological research. Absorption, metabolism, distribution, binding, and elimination are all quantifiable with high precision after appropriate sample definition.

  15. Web Resources for Mass Spectrometry-based Proteomics

    OpenAIRE

    Tao CHEN; Zhao, Jie; Ma, Jie; Zhu, Yunping

    2015-01-01

    With the development of high-resolution and high-throughput mass spectrometry (MS) technology, a large quantum of proteomic data is continually being generated. Collecting and sharing these data are a challenge that requires immense and sustained human effort. In this report, we provide a classification of important web resources for MS-based proteomics and present rating of these web resources, based on whether raw data are stored, whether data submission is supported, and whether data analy...

  16. Mass Spectrometry-Based Label-Free Quantitative Proteomics

    OpenAIRE

    Chun-Ming Huang; Smith, Jeffrey W.; Wenhong Zhu

    2009-01-01

    In order to study the differential protein expression in complex biological samples, strategies for rapid, highly reproducible and accurate quantification are necessary. Isotope labeling and fluorescent labeling techniques have been widely used in quantitative proteomics research. However, researchers are increasingly turning to label-free shotgun proteomics techniques for faster, cleaner, and simpler results. Mass spectrometry-based label-free quantitative proteomics falls into two general c...

  17. Mass Spectrometry-Based Approaches Toward Absolute Quantitative Proteomics

    OpenAIRE

    Kito, Keiji; Ito, Takashi

    2008-01-01

    Mass spectrometry has served as a major tool for the discipline of proteomics to catalogue proteins in an unprecedented scale. With chemical and metabolic techniques for stable isotope labeling developed over the past decade, it is now routinely used as a method for relative quantification to provide valuable information on alteration of protein abundance in a proteome-wide scale. More recently, absolute or stoichiometric quantification of proteome is becoming feasible, in particular, with th...

  18. Mass spectrometry-based proteomics in cell biology

    OpenAIRE

    Walther, T. C.; Mann, M

    2010-01-01

    The global analysis of protein composition, modifications, and dynamics are important goals in cell biology. Mass spectrometry (MS)–based proteomics has matured into an attractive technology for this purpose. Particularly, high resolution MS methods have been extremely successful for quantitative analysis of cellular and organellar proteomes. Rapid advances in all areas of the proteomic workflow, including sample preparation, MS, and computational analysis, should make the technology more eas...

  19. Mass spectrometry based targeted protein quantification: methods and applications

    OpenAIRE

    Pan, Sheng; Aebersold, Ruedi; Chen, Ru; Rush, John; Goodlett, David R.; McIntosh, Martin W.; Zhang, Jing; Brentnall, Teresa A.

    2009-01-01

    The recent advance in technology for mass spectrometry-based targeted protein quantification has opened new avenues for a broad range of proteomic applications in clinical research. The major breakthroughs are highlighted by the capability of using a “universal” approach to perform quantitative assays for a wide spectrum of proteins with minimum restrictions, and the ease of assembling multiplex detections in a single measurement. The quantitative approach relies on the use of synthetic stabl...

  20. Economics of tandem mass spectrometry screening of neonatal inherited disorders

    OpenAIRE

    Pandor, A; Eastham, J.; Chilcott, J.; Paisley, S; Beverley, C.

    2006-01-01

    Objectives: The aim of this study was to evaluate the cost-effectiveness of neonatal screening for phenylketonuria (PKU) and medium-chain acyl-coA dehydrogenase (MCAD) deficiency using tandem mass spectrometry (tandem MS). Methods: A systematic review of clinical efficacy evidence and cost-effectiveness modeling of screening in newborn infants within a UK National Health Service perspective was performed. Marginal costs, life-years gained, and cost-effectiveness acceptability curves are p...

  1. Significant advancement of mass spectrometry imaging for food chemistry.

    Science.gov (United States)

    Yoshimura, Yukihiro; Goto-Inoue, Naoko; Moriyama, Tatsuya; Zaima, Nobuhiro

    2016-11-01

    Food contains various compounds that have an impact on our daily lives. Many technologies have been established to analyze these molecules of interest in foods. However, the analysis of the spatial distribution of these compounds in foods using conventional technology, such as high-performance liquid chromatography-mass spectrometry or gas chromatography-mass spectrometry is difficult. Matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) is considered an ideal complementary approach. MALDI-MSI is a two-dimensional MALDI-MS technology that can detect compounds in a tissue section without extraction, purification, separation, or labeling. MALDI-MSI can be used to visualize the spatial distribution of chemical compounds or biomolecules in foods. Although the methodology of MALDI-MSI in food science is not yet fully established, the versatility of MALDI-MSI is expected to open a new frontier in food science. Herein, we describe the principles and applications of MALDI-MSI in food science and related fields. PMID:27211639

  2. Studies in biogenic amine metabolism by mass spectrometry

    International Nuclear Information System (INIS)

    Two areas of mass spectral study related to biogenic amine metabolism are presented: The use of electron capture negative ion chemical ionization mass spectrometry for the quantitation of melatonin and other indole amines, and general synthetic procedures useful for the synthesis of deuterated diazomethane and deuteromethylated catechols. The factors determining instrumental sensitivity in negative ion chemical ionization are discussed, and the enhancement of the primary ion beam using magnetic fields is described. Quantitation of human plasma melatonin at the parts per trillion or pg/ml level has been demonstrated and is routinely performed as a selected ion monitoring assay. (Auth.)

  3. Characterization of individual particles in gaseous media by mass spectrometry

    Science.gov (United States)

    Sinha, M. P.

    1990-01-01

    An introduction is given to a system for particle analysis by mass spectrometry (PAMS) which employs particle-beam techniques to measure mass spectra on a continuous real-time basis. The system is applied to particles of both organic and inorganic compounds, and the measurements give the chemical characteristics of particles in mixtures and indicate source apportionment. The PAMS system can be used for process control and studying heterogeneous/catalytic reactions in particles, and can be fitted to study the real-time attributes of PAMS.

  4. Temperature-programmed desorption for membrane inlet mass spectrometry

    DEFF Research Database (Denmark)

    Ketola, R.A.; Grøn, C.; Lauritsen, F.R.

    1998-01-01

    We present a novel technique for analyzing volatile organic compounds in air samples using a solid adsorbent together with temperature-programmed desorption and subsequent detection by membrane inlet mass spectrometry (TPD-MIMS). The new system has the advantage of a fast separation of compounds...... to diffuse through the membrane into the mass spectrometer in a few seconds. In this fashion we could completely separate many similar volatile compounds, for example toluene from xylene and trichloroethene from tetrachloroethene. Typical detection limits were at low or sub-nanogram levels, the...

  5. Measurement of the 135Cs half-life with accelerator mass spectrometry and inductively coupled plasma mass spectrometry

    Science.gov (United States)

    MacDonald, C. M.; Cornett, R. J.; Charles, C. R. J.; Zhao, X. L.; Kieser, W. E.

    2016-01-01

    The isotope 135Cs is quoted as having a half-life of 2.3 Myr. However, there are three published values ranging from 1.8 to 3 Myr. This research reviews previous measurements and reports a new measurement of the half-life using newly developed accelerator mass spectrometry (AMS) and inductively coupled plasma mass spectrometry (ICPMS) techniques along with β and γ radiometric analysis. The half-life was determined to be (1.6 ±0.6 ) ×106 yr by AMS and (1.3 ±0.2 ) ×106 yr by ICPMS with 95% confidence. The two values agree with each other but differ from the accepted value by ˜40 % .

  6. Lipidomic mass spectrometry and its application in neuroscience

    Institute of Scientific and Technical Information of China (English)

    Mabel; Enriquez-Algeciras; Sanjoy; K; Bhattacharya

    2013-01-01

    Central and peripheral nervous systems are lipid rich tissues. Lipids, in the context of lipid-protein complexes, surround neurons and provide electrical insulation for transmission of signals allowing neurons to remain embedded within a conducting environment. Lipids play a key role in vesicle formation and fusion in synapses. They provide means of rapid signaling, cell motility and migration for astrocytes and other cell types that surround and play supporting roles neurons. Unlike many other signaling molecules, lipids are capable of multiple signaling events based on the different fragments generated from a single precursor during each event. Lipidomics, until recently suffered from two major disadvantages:(1) level of expertise required an overwhelming amount of chemical detail to correctly identify a vast number of different lipids which could be close in their chemical reactivity; and(2) high amount of purified compounds needed by analytical techniques to determine their structures. Advances in mass spectrometry have enabled overcoming these two limitations. Mass spectrometry offers a great degree of simplicity in identification and quantification of lipids directly extracted from complex biological mixtures. Mass spectrometers can be regarded to as mass analyzers. There are those that separate and analyze the product ion fragments in space(spatial) and those which separate product ions in time in the same space(temporal). Databases and standardized instrument parameters have further aided the capabilities of the spatial instruments while recent advances in bioinformatics have made the identification and quantification possible using temporal instruments.

  7. Mass spectrometry improvement on an high current ion implanter

    International Nuclear Information System (INIS)

    The development of accurate mass spectrometry, enabling the identification of all the ions extracted from the ion source in a high current implanter is described. The spectrometry system uses two signals (x–y graphic), one proportional to the magnetic field (x-axes), taken from the high-voltage potential with an optic fiber system, and the other proportional to the beam current intensity (y-axes), taken from a beam-stop. The ion beam mass register in a mass spectrum of all the elements magnetically analyzed with the same radius and defined by a pair of analyzing slits as a function of their beam intensity is presented. The developed system uses a PC to control the displaying of the extracted beam mass spectrum, and also recording of all data acquired for posterior analysis. The operator uses a LabVIEW code that enables the interfacing between an I/O board and the ion implanter. The experimental results from an ion implantation experiment are shown.

  8. Exploring the high-mass components of humic acid by laser desorption ionization mass spectrometry.

    Science.gov (United States)

    Chilom, Gabriela; Chilom, Ovidiu; Rice, James A

    2008-05-01

    Leonardite and Elliot soil humic acids have been analyzed by laser desorption ionization mass spectrometry (LDI MS) in the m/z 4000-200,000 range. Positive ion mass spectra for each humic acid obtained under optimum conditions showed a broad high-mass distribution between m/z 20,000 and 80,000. The dependence of the mass distribution on instrumental parameters and solution conditions was used to investigate the nature of the high-mass peaks from humic acid spectra. Our data suggests that macromolecular ions and humic acid aggregates have the same probability of occurrence while cluster ion formation has a low probability of occurrence. PMID:18421699

  9. Intact MicroRNA Analysis Using High Resolution Mass Spectrometry

    Science.gov (United States)

    Kullolli, Majlinda; Knouf, Emily; Arampatzidou, Maria; Tewari, Muneesh; Pitteri, Sharon J.

    2014-01-01

    MicroRNAs (miRNAs) are small single-stranded non-coding RNAs that post-transcriptionally regulate gene expression, and play key roles in the regulation of a variety of cellular processes and in disease. New tools to analyze miRNAs will add understanding of the physiological origins and biological functions of this class of molecules. In this study, we investigate the utility of high resolution mass spectrometry for the analysis of miRNAs through proof-of-concept experiments. We demonstrate the ability of mass spectrometry to resolve and separate miRNAs and corresponding 3' variants in mixtures. The mass accuracy of the monoisotopic deprotonated peaks from various miRNAs is in the low ppm range. We compare fragmentation of miRNA by collision-induced dissociation (CID) and by higher-energy collisional dissociation (HCD) which yields similar sequence coverage from both methods but additional fragmentation by HCD versus CID. We measure the linear dynamic range, limit of detection, and limit of quantitation of miRNA loaded onto a C18 column. Lastly, we explore the use of data-dependent acquisition of MS/MS spectra of miRNA during online LC-MS and demonstrate that multiple charge states can be fragmented, yielding nearly full sequence coverage of miRNA on a chromatographic time scale. We conclude that high resolution mass spectrometry allows the separation and measurement of miRNAs in mixtures and a standard LC-MS setup can be adapted for online analysis of these molecules.

  10. Bioaerosols from composting facilities--a review.

    OpenAIRE

    Wéry, Nathalie

    2014-01-01

    Bioaerosols generated at composting plants are released during processes that involve the vigorous movement of material such as shredding, compost pile turning, or compost screening. Such bioaerosols are a cause of concern because of their potential impact on both occupational health and the public living in close proximity to such facilities. The biological hazards potentially associated with bioaerosol emissions from composting activities include fungi, bacteria, endotoxin, and 1-3 β-glucan...

  11. Air pollution monitoring by negative-ion mass spectrometry

    International Nuclear Information System (INIS)

    Research into the use of negative-ion mass spectrometry for the monitoring of oxygen-containing gases is reported. Electron impact by low-energy electrons of oxyden-containing gases will result in dissociative electron capture forming O-. By introducing into a negative-ion mass spectrometer a mixture of SO2, NO, NO2, CO, CO2 and O2, focussing O- (m/e = 16) onto the collector, and varying the electron energy, a spectrum of peaks is obtained, which are characteristic of the oxygen-containing molecules in the mixture. The results of this research will be the basis of the design of a small negative-ion mass spectrometer system for the monitoring of oxygen-containing gases in air. (author)

  12. Revealing Higher Order Protein Structure Using Mass Spectrometry

    Science.gov (United States)

    Chait, Brian T.; Cadene, Martine; Olinares, Paul Dominic; Rout, Michael P.; Shi, Yi

    2016-04-01

    The development of rapid, sensitive, and accurate mass spectrometric methods for measuring peptides, proteins, and even intact protein assemblies has made mass spectrometry (MS) an extraordinarily enabling tool for structural biology. Here, we provide a personal perspective of the increasingly useful role that mass spectrometric techniques are exerting during the elucidation of higher order protein structures. Areas covered in this brief perspective include MS as an enabling tool for the high resolution structural biologist, for compositional analysis of endogenous protein complexes, for stoichiometry determination, as well as for integrated approaches for the structural elucidation of protein complexes. We conclude with a vision for the future role of MS-based techniques in the development of a multi-scale molecular microscope.

  13. Combustion chemistry of energetic materials studied by probing mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Korobeinichev, O.P.; Kuibida, L.V.; Paletsky, A.A.; Shmakov, A.G. [Russian Academy of Sciences, Novosibirsk (Russian Federation). Inst. of Chemical Kinetics and Combustion

    1996-07-01

    The methods of probing mass spectrometry (PMS) for diagnostic of flames and for the study of kinetics and mechanism of the thermal decomposition products of energetic materials (EM) are described. Several types of instruments based on microprobe and molecular beam mass spectrometric sampling have been developed. Time of flight mass spectrometer has been used. Apparatuses for high (10 atm) and low (<1 atm) pressure have been developed for the study of combustion and decomposition of EM by PMS ``in situ.`` Several examples are presented to demonstrate application of PMS method for the study of EM flame structure, thermal decomposition and dynamic of ignition. Experimental data on decomposition of double base propellants ammonium dinitramide, ammonium perchlorate are presented.

  14. Revealing Higher Order Protein Structure Using Mass Spectrometry

    Science.gov (United States)

    Chait, Brian T.; Cadene, Martine; Olinares, Paul Dominic; Rout, Michael P.; Shi, Yi

    2016-06-01

    The development of rapid, sensitive, and accurate mass spectrometric methods for measuring peptides, proteins, and even intact protein assemblies has made mass spectrometry (MS) an extraordinarily enabling tool for structural biology. Here, we provide a personal perspective of the increasingly useful role that mass spectrometric techniques are exerting during the elucidation of higher order protein structures. Areas covered in this brief perspective include MS as an enabling tool for the high resolution structural biologist, for compositional analysis of endogenous protein complexes, for stoichiometry determination, as well as for integrated approaches for the structural elucidation of protein complexes. We conclude with a vision for the future role of MS-based techniques in the development of a multi-scale molecular microscope.

  15. Accelerator mass spectrometry at the University of North Texas

    Science.gov (United States)

    Anthony, J. M.; Matteson, S.; McDaniel, F. D.; Duggan, J. L.

    1989-04-01

    An accelerator mass spectrometry system designed for analysis of electronic materials is being developed and installed on the University of North Texas 3 MV tandem accelerator (National Electrostatics Corporation 9-SDH). High-resolution magnetic (40° deflection, {M}/{ΔM ≈ 350}, maximum mass-energy product 69 MeVu) and electro static (45 ° deflection, E/ q of 4.8 MeV, {E}/{ΔE}≈ 730 ) analysis, coupled with a 1.5 m time-of-flight path and total energy detection (surface barrier detector) forms the basis of the detection system. In order to provide stable element detection capability at the parts-per-trillion level in electronic materials (Si, GaAs, HgCdTe), a custom ion source, incorporating mass analysis of the sputtering beam, ultraclean slits, low cross-contamination and UHV capability, is being constructed.

  16. Application of quadrupole mass spectrometry to nitrogen isotope analysis

    International Nuclear Information System (INIS)

    Mass spectrometry is the primary tool employed for isotopic analysis. To alleviate many of the problems encountered with magnetic instruments, the use of a quadrupole mass spectrometer is proposed. A total system for performing routine nitrogen isotopic analysis is presented in this thesis. The system allows for a high ratio of analyte gas to residual gas for analysis. Linearity of spectral sweep is improved so averaged spectra can be integrated to improve accuracy of ratio. Accuracy and precision of better than 0.2 percent have been obtained. The major differences between magnetic and dynamic mass spectrometers are discussed with regard to the practical significance of these differences. The theory of the quadrupole mass spectrometer is reviewed and discussed in relationship to the variations in design parameters, the physical effects encountered, and the trade-offs that are encountered in the final system design. The construction and operation of a quadrupole mass spectrometer and associated systems are described. The chemical systems required for analysis are presented and evaluated, in respect to methods of analysis. The results of analyses are presented to show the accuracy and precision obtainable with this system. Precision of the data is examined with respect to the number of mass spectra averaged, the number of points integrated, and the rate at which the data are acquired. Finally several suggestions are brought forth in which the quadrupole mass spectrometer may prove itself to be a valuable research tool. (U.S.)

  17. Two-Dimensional Aperture Coding for Magnetic Sector Mass Spectrometry

    Science.gov (United States)

    Russell, Zachary E.; Chen, Evan X.; Amsden, Jason J.; Wolter, Scott D.; Danell, Ryan M.; Parker, Charles B.; Stoner, Brian R.; Gehm, Michael E.; Brady, David J.; Glass, Jeffrey T.

    2015-02-01

    In mass spectrometer design, there has been a historic belief that there exists a fundamental trade-off between instrument size, throughput, and resolution. When miniaturizing a traditional system, performance loss in either resolution or throughput would be expected. However, in optical spectroscopy, both one-dimensional (1D) and two-dimensional (2D) aperture coding have been used for many years to break a similar trade-off. To provide a viable path to miniaturization for harsh environment field applications, we are investigating similar concepts in sector mass spectrometry. Recently, we demonstrated the viability of 1D aperture coding and here we provide a first investigation of 2D coding. In coded optical spectroscopy, 2D coding is preferred because of increased measurement diversity for improved conditioning and robustness of the result. To investigate its viability in mass spectrometry, analytes of argon, acetone, and ethanol were detected using a custom 90-degree magnetic sector mass spectrometer incorporating 2D coded apertures. We developed a mathematical forward model and reconstruction algorithm to successfully reconstruct the mass spectra from the 2D spatially coded ion positions. This 2D coding enabled a 3.5× throughput increase with minimal decrease in resolution. Several challenges were overcome in the mass spectrometer design to enable this coding, including the need for large uniform ion flux, a wide gap magnetic sector that maintains field uniformity, and a high resolution 2D detection system for ion imaging. Furthermore, micro-fabricated 2D coded apertures incorporating support structures were developed to provide a viable design that allowed ion transmission through the open elements of the code.

  18. Identification of Fatty Acids, Phospholipids, and Their Oxidation Products Using Matrix-Assisted Laser Desorption Ionization Mass Spectrometry and Electrospray Ionization Mass Spectrometry

    Science.gov (United States)

    Harmon, Christopher W.; Mang, Stephen A.; Greaves, John; Finlayson-Pitts, Barbara J.

    2010-01-01

    Electrospray ionization mass spectrometry (ESI-MS) and matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS) have found increasing application in the analysis of biological samples. Using these techniques to solve problems in analytical chemistry should be an essential component of the training of undergraduate chemists. We…

  19. Uncovering biologically significant lipid isomers with liquid chromatography, ion mobility spectrometry and mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Kyle, Jennifer E.; Zhang, Xing; Weitz, Karl K.; Monroe, Matthew E.; Ibrahim, Yehia M.; Moore, Ronald J.; Cha, Jeeyeon; Sun, Xiaofei; Lovelace, Erica S.; Wagoner, Jessica; Polyak, Stephen J.; Metz, Thomas O.; Dey, Sudhansu K.; Smith, Richard D.; Burnum-Johnson, Kristin E.; Baker, Erin S.

    2016-01-01

    Understanding how biological molecules are generated, metabolized and eliminated in living systems is important for interpreting processes such as immune response and disease pathology. While genomic and proteomic studies have provided vast amounts of information over the last several decades, interest in lipidomics has also grown due to improved analytical technologies revealing altered lipid metabolism in type 2 diabetes, cancer, and lipid storage disease. Liquid chromatography and mass spectrometry (LC-MS) measurements are currently the dominant approach for characterizing the lipidome by providing detailed information on the spatial and temporal composition of lipids. However, interpreting lipids’ biological roles is challenging due to the existence of numerous structural and stereoisomers (i.e. distinct acyl chain and double-bond positions), which are unresolvable using present LC-MS approaches. Here we show that combining structurally-based ion mobility spectrometry (IMS) with LC-MS measurements distinguishes lipid isomers and allows insight into biological and disease processes.

  20. Mass spectrometry for nutritional and environmental applications: Recent advances

    International Nuclear Information System (INIS)

    Mass spectrometry is an important analytical tool for monitoring the environmental pollution as well as for nutritional research. A variety of mass spectrometric techniques can be used in these research areas. The most commonly used are Thermal Ionization Mass Spectrometry (TIMS) and Inductively Coupled Plasma Source Mass Spectrometry (ICP-MS). In ICP-MS itself, various sample introduction techniques like pneumatic nebulizer, ultrasonic nebulizer etc. are used. Also the ICP-MS instruments based on quadrupole analysers as well as Sector Field analysers are being increasingly used for various applications in environmental and nutritional sciences. Advances in electronics and computers have made these two techniques user friendly. Nevertheless, for utilizing the best potential of the commercially available TIMS and ICP-MS instruments, one has to critically carry out experiments, data collection and data evaluation. This becomes all the more important for environmental and nutritional applications where small changes in the isotope ratios must be determined with high precision and accuracy in the complex analytical samples keeping in mind the spectroscopic and non-spectroscopic interferences in the inorganic mass spectrometric techniques. Changes in the Pb isotope ratios e.g. 206Pb/207Pb vs 208Pb/206Pb can be used to trace the origin/source of Pb contamination in the environment. Similarly, 87Sr/86Sr ratio gives information about the contribution from acid rain. Speciation studies on different elements like Pb, As and Hg are also essential to find out the concentrations of essential and toxic species of these metals. The use of stable enriched isotopes e.g. of Fe in humans, in particular, in pregnant ladies can be used to study the Iron Deficiency Anemia in developing countries. Similarly, the stable enriched isotopes of Ca can be used for studying osteoporosis in elderly persons. Many such examples exist in literature where the use of stable isotopes and mass

  1. Rapid analysis of trace pollutants using laser mass spectrometry

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Organic pollution has been gaining more and more attention.Yet,at present the determination of virtually all of them,including polycyclic aromatic carbons (PAHs),the largest single class of chemical carcinogens known today,is made via pre-purification and pre-concentration.The major problems are complexity and time-consuming,thus,no ideal real-time on-line monitoring can be done.Laser mass spectrometry combines UV spectroscopy and time-of-flight mass spectrometry (TOF-MS) through resonance-enhanced multiphoton ionization (REMPI).It is characteristic of high sensitivity,high selectivity and rapidity.In this paper,after its principles,a small mobile laser mass spectrometer,in which a mini-excimer (KrF,248 nm) laser was used,is introduced.Real-time analysis of vehicle exhaust gas was made using this instrument,and the results showed some advantages over traditional methods:multicomponent detection,including benzene,toluene,xylene,C3-benzene,naphthalene,and methyl-naphthalene; high sensitivity (100 ppb);high time-resolution (0.1 s);and no need for pre-purification or pre-concentration of samples.

  2. Direct and Convenient Mass Spectrometry Sampling with Ambient Flame Ionization

    Science.gov (United States)

    Liu, Xiao-Pan; Wang, Hao-Yang; Zhang, Jun-Ting; Wu, Meng-Xi; Qi, Wan-Shu; Zhu, Hui; Guo, Yin-Long

    2015-11-01

    Recent innovations in ambient ionization technology for the direct analysis of various samples in their native environment facilitate the development and applications of mass spectrometry in natural science. Presented here is a novel, convenient and flame-based ambient ionization method for mass spectrometric analysis of organic compounds, termed as the ambient flame ionization (AFI) ion source. The key features of AFI ion source were no requirement of (high) voltages, laser beams and spray gases, but just using small size of n-butane flame (height approximately 1 cm, about 500 oC) to accomplish the rapid desorption and ionization for direct analysis of gaseous-, liquid- and solid-phase organic compounds, as well as real-world samples. This method has high sensitivity with a limit of detection of 1 picogram for propyphenazone, which allows consuming trace amount of samples. Compared to previous ionization methods, this ion source device is extremely simple, maintain-free, low-cost, user-friendly so that even an ordinary lighter (with n-butane as fuel) can achieve efficient ionization. A new orientation to mass spectrometry ion source exploitation might emerge from such a convenient, easy and inexpensive AFI ion source.

  3. Mass Spectrometry Based Lipidomics: An Overview of Technological Platforms

    Directory of Open Access Journals (Sweden)

    Harald C. Köfeler

    2012-01-01

    Full Text Available One decade after the genomic and the proteomic life science revolution, new ‘omics’ fields are emerging. The metabolome encompasses the entity of small molecules—Most often end products of a catalytic process regulated by genes and proteins—with the lipidome being its fat soluble subdivision. Within recent years, lipids are more and more regarded not only as energy storage compounds but also as interactive players in various cellular regulation cycles and thus attain rising interest in the bio-medical community. The field of lipidomics is, on one hand, fuelled by analytical technology advances, particularly mass spectrometry and chromatography, but on the other hand new biological questions also drive analytical technology developments. Compared to fairly standardized genomic or proteomic high-throughput protocols, the high degree of molecular heterogeneity adds a special analytical challenge to lipidomic analysis. In this review, we will take a closer look at various mass spectrometric platforms for lipidomic analysis. We will focus on the advantages and limitations of various experimental setups like ‘shotgun lipidomics’, liquid chromatography—Mass spectrometry (LC-MS and matrix assisted laser desorption ionization-time of flight (MALDI-TOF based approaches. We will also examine available software packages for data analysis, which nowadays is in fact the rate limiting step for most ‘omics’ workflows.

  4. T cells recognizing a peptide contaminant undetectable by mass spectrometry.

    Science.gov (United States)

    Brezar, Vedran; Culina, Slobodan; Østerbye, Thomas; Guillonneau, François; Chiappetta, Giovanni; Verdier, Yann; Vinh, Joelle; Wong, F Susan; Buus, Søren; Mallone, Roberto

    2011-01-01

    Synthetic peptides are widely used in immunological research as epitopes to stimulate their cognate T cells. These preparations are never completely pure, but trace contaminants are commonly revealed by mass spectrometry quality controls. In an effort to characterize novel major histocompatibility complex (MHC) Class I-restricted β-cell epitopes in non-obese diabetic (NOD) mice, we identified islet-infiltrating CD8+ T cells recognizing a contaminating peptide. The amount of this contaminant was so small to be undetectable by direct mass spectrometry. Only after concentration by liquid chromatography, we observed a mass peak corresponding to an immunodominant islet-specific glucose-6-phosphatase catalytic subunit-related protein (IGRP)(206-214) epitope described in the literature. Generation of CD8+ T-cell clones recognizing IGRP(206-214) using a novel method confirmed the identity of the contaminant, further underlining the immunodominance of IGRP(206-214). If left undetected, minute impurities in synthetic peptide preparations may thus give spurious results. PMID:22194932

  5. Resonance ionization mass spectrometry for isotopic abundance measurements

    Science.gov (United States)

    Miller, C. M.

    1986-01-01

    Resonance ionization mass spectrometry (RIMS) is a relatively new laser-based technique for the determination of isotopic abundances. The resonance ionization process depends upon the stepwise absorption of photons from the laser, promoting atoms of the element of interest through progressively higher electronic states until an ion is formed. Sensitivity arises from the efficiency of the resonant absorption process when coupled with the power available from commercial laser sources. Selectivity derives naturally from the distinct electronic structure of different elements. This isobaric discrimination has provided the major impetus for development of the technique. Resonance ionization mass spectrometry was used for analysis of the isotopic abundances of the rare earth lutetium. Isobaric interferences from ytterbium severely effect the ability to measure small amounts of the neutron-deficient Lu isotopes by conventional mass spectrometric techniques. Resonance ionization for lutetium is performed using a continuous-wave laser operating at 452 nm, through a sequential two-photon process, with one photon exciting the intermediate resonance and the second photon causing ionization. Ion yields for microgram-sized quantities of lutetium lie between 10(6) and 10(7) ions per second, at overall ionization efficiencies approaching 10(-4). Discrimination factors against ytterbium greater than 10(6) have been measured. Resonance ionization for technetium is also being explored, again in response to an isobaric interference, molybdenum. Because of the relatively high ionization potential for Tc, three-photon, two-color RIMS processes are being developed.

  6. Dehydrodimerization of pterostilbene during electrospray ionization mass spectrometry

    KAUST Repository

    Raji, Misjudeen

    2013-04-30

    RATIONALE Pterostilbene is a member of the hydroxystilbene family of compounds commonly found in plants such as blueberry and grapes. During the analysis of this compound by electrospray ionization mass spectrometry (ESI-MS), an ion was observed that corresponds to the dehydrodimer of pterostilbene in mass-to-charge ratio. Since such unexpected dimerization may lead to decreased monomer signal during quantitative analysis, it was of interest to identify the origin and structure of the observed pterostilbene dimer and examine the experimental conditions that influence its formation. METHODS Liquid Chromatography/Mass Spectrometry (LC/MS), Nuclear Magnetic Resonance (NMR), and High-Field Asymmetric Waveform Ion Mobility Spectrometry (FAIMS) were used to examine the origin of the dimerization products. The structure of the formed pterostilbene dimer was examined by performing MSn analysis on the dimer ion. Effects of solvent composition, analyte concentration, radical scavenger, and other experimental conditions on the dimerization were also studied. RESULTS LC/MS and NMR analyses clearly showed that the starting solution did not contain the pterostilbene dimer. Solvent type and radical scavenger concentration were found to have pronounced effects on the dimer formation. Particularly, presence of acetonitrile or ammonium acetate had favorable effects on the extent of dimerization during ESI-MS analysis whereas hydroquinone and butylated hydroquinone had negative effects. Dimer formation decreased at high flow rates and when fused-silica capillary was used as the spray needle. CONCLUSIONS The data indicate that this dimerization occurs as a result of solution-phase electrochemical reactions taking place during the electrospray process. A possible structure for this dimer was proposed based on the MSn analysis and was similar to that of the enzymatically derived pterostilbene dehydrodimer already reported in the literature. Copyright © 2013 John Wiley & Sons, Ltd

  7. Accelerator mass spectrometry as a tool in geology and archaeology

    International Nuclear Information System (INIS)

    Since its introduction more than twenty years ago, as a new method for 14 C-dating, accelerator mass spectrometry (AMS) has become an increasingly important tool for geologists and archaeologists. The possibility to use samples of a few mg or even smaller samples has opened for new applications in the field of 14 C-dating. Even more important is perhaps that AMS has made other, extremely rare cosmogenic isotopes like 10 Be, 26 Al and 36 Cl available for earth science. Some examples of new applications in geology and archaeology for 14 C and other cosmogenic isotopes will be given. (authors)

  8. Vaporization Studies of Olivine via Knudsen Effusion Mass Spectrometry

    Science.gov (United States)

    Costa, G. C. C.; Jacobson, N. S.

    2014-01-01

    Olivine is the major mineral in the Earth's upper mantle occurring predominantly in igneous rocks and has been identified in meteorites, asteroids, the Moon and Mars. Among many other important applications in planetary and materials sciences, the thermodynamic properties of vapor species from olivine are crucial as input parameters in computational modelling of the atmospheres of hot, rocky exoplanets (lava planets). There are several weight loss studies of olivine vaporization in the literature and one Knudsen Effusion Mass Spectrometry (KEMS) study. In this study, we examine a forsterite-rich olivine (93% forsterite and 7% fayalite, Fo93Fa7) with KEMS to further understand its vaporization and thermodynamic properties.

  9. Biomedical mass spectrometry in today's and tomorrow's clinical microbiology laboratories.

    Science.gov (United States)

    van Belkum, Alex; Welker, Martin; Erhard, Marcel; Chatellier, Sonia

    2012-05-01

    Clinical microbiology is a conservative laboratory exercise where base technologies introduced in the 19th century remained essentially unaltered. High-tech mass spectrometry (MS) has changed that. Within a few years following its adaptation to microbiological diagnostics, MS has been introduced, embraced, and broadly accepted by clinical microbiology laboratories throughout the world as an innovative tool for definitive bacterial species identification. Herein, we review the current state of the art with respect to this exciting new technology and discuss potential future applications. PMID:22357505

  10. Diesel characterization by high-resolution mass spectrometry - gas chromatography

    International Nuclear Information System (INIS)

    High-resolution mass spectrometry-gas chromatography is combined with the HC22 method in order to obtain detailed information about the chemical composition of diesel and the distribution of different compound types in terms of its final boiling temperature from a single analysis. The total time elapsed from sample injection and signal processing to obtain final results is 90 minutes. This fact makes this methodology a new and very important tool for the decision making process concerning the most suitable final boiling temperature and the type of treatment of the product in order to obtain diesel that fulfills the international standards. The consistency and repeatability of the experimental results are demonstrated

  11. Web Resources for Mass Spectrometry-based Proteomics

    Institute of Scientific and Technical Information of China (English)

    Tao Chen; Jie Zhao; Jie Ma; Yunping Zhu

    2015-01-01

    With the development of high-resolution and high-throughput mass spectrometry (MS) technology, a large quantum of proteomic data is continually being generated. Collecting and shar-ing these data are a challenge that requires immense and sustained human effort. In this report, we provide a classification of important web resources for MS-based proteomics and present rating of these web resources, based on whether raw data are stored, whether data submission is supported, and whether data analysis pipelines are provided. These web resources are important for biologists involved in proteomics research.

  12. Triplex and quadruplex DNA structures studied by electrospray mass spectrometry

    OpenAIRE

    Rosu, Frédéric; Gabelica, Valérie; Houssier, Claude; Colson, Pierre; De Pauw, Edwin

    2002-01-01

    DNA triplex and quadruplex structures have been successfully detected by electrospray ionization mass spectrometry (ESI-MS). Circular dichroism and UV-melting experiments show that these structures are stable in 150 mM ammonium acetate at pH 7 for the quadruplexes and pH 5.5 for the triplexes. The studied quadruplexes were the tetramer [d(TGGGGT)](4), the dimer [d(GGGGTTTTGGGG)](2), and the intramolecular folded strand dGGG(TTAGGG)(3), which is an analog of the human telomeric sequence. The a...

  13. Liquid chromatography mass spectrometry for analysis of microbial metabolites

    DEFF Research Database (Denmark)

    Klitgaard, Andreas

    as signaling, defense, or pigmentation. Compounds from microorganisms have a dual impact on human society: they have been used as drugs, or as inspiration for the development of drugs for centuries. However, fungal infection of crops and the subsequent contamination by mycotoxins, continue to pose a threat...... are still to be discovered. The main analytical technique used to investigate production of products from these diverse organisms is liquid-chromatography coupled to mass spectrometry (LC-MS). With the development of new and improved analytical instrumentation for chemical analysis, the time needed...

  14. A novel ion imager for secondary ion mass spectrometry

    International Nuclear Information System (INIS)

    This paper describes a new area detector for secondary ion mass spectrometry (SIMS) ion microscope, and its performance. The operational principle is based on detecting the change in potential of a floating photodiode caused by the ion-induced secondary-electron emission and the incoming ion itself. The experiments demonstrated that 101-105 aluminum ions per pixel can be detected with good linear response. Moreover, relative ion sensitivities from hydrogen to lead were constant within a factor of 2. The performance of this area detector provides the potential for detection of kiloelectronvolt ion images with current ion microscopy

  15. Monitoring of wine aging process by electrospray ionization mass spectrometry

    Directory of Open Access Journals (Sweden)

    Alexandra Christine Helena Frankland Sawaya

    2011-09-01

    Full Text Available The characterization of wine samples by direct insertion electrospray ionization mass spectrometry (ESI-MS, without pre-treatment or chromatographic separation, in a process denominated fingerprinting, has been applied to several samples of wine produced with grapes of the Pinot noir, Merlot and Cabernet Sauvignon varieties from the state o Rio Grande do Sul, in Brazil. The ESI-MS fingerprints of the samples detected changes which occurred during the aging process in the three grape varieties. Principal Component Analysis (PCA of the negative ion mode fingerprints was used to group the samples, pinpoint the main changes in their composition, and indicate marker ions for each group of samples.

  16. 236U measurement with accelerator mass spectrometry at CIAE

    International Nuclear Information System (INIS)

    236U is a long-lived radioactive isotope which is produced principally by thermal neutron capture on 235U. 236U may be potentially applied in geological research and nuclear safeguards. Accelerator mass spectrometry is presently the most sensitive technique for the measurement of 236U and a measurement method for long-lived heavy ion 236U has been developed. The set-up uses a dedicated injector and the newly proposed 208Pb16O2- molecular ions for the simulation of 236U ion transport. A sensitivity of lower than 10-10 has been achieved for the isotopic ratio 236U/238U in present work.

  17. Application of accelerator mass spectrometry in aluminum metabolism studies

    International Nuclear Information System (INIS)

    The recent recognition that aluminum causes toxicity in uremic patients and may be associated with Alzheimer's disease has stimulated many studies of its biochemical effects. However, such studies were hampered by the lack of a suitable tracer. In a novel experiment, we have applied the new technique of accelerator mass spectrometry to investigate aluminum kinetics in rats, using as a marker the long-lived isotope 26Al. We present the first aluminum kinetic model for a biological system. The results clearly demonstrate the advantage this technique holds for isotope tracer studies in animals as well as humans. (Author) (24 refs., 3 figs.)

  18. Fish and chips: Analytical applications of resonance ionization mass spectrometry

    International Nuclear Information System (INIS)

    Resonance ionization mass spectrometry is becoming recognized as an analytical technique for a wide range of applications. The extremely high element specificity and sensitivity of the resonance ionization (RI) process is especially valuable for ultratrace element analysis in samples where the complexity of the matrix is frequently a serious source of interferences. In this paper, we will describe the implementation of sputter-initiated resonance ionization microprobe (SIRIMP) and laser atomization RIMP (LARIMP) to solve a number of analytical problems and illustrate the technique's salient characteristics with applications ranging from environmental monitoring using fish scales to semiconductor device and DNA diagnostics chips

  19. Proteomic Analysis of Protein Posttranslational Modifications by Mass Spectrometry.

    Science.gov (United States)

    Swaney, Danielle L; Villén, Judit

    2016-01-01

    The addition of posttranslational modifications (PTMs) to proteins is an influential mechanism to temporally control protein function and ultimately regulate entire cellular processes. Most PTMs are present at low stoichiometry and abundance, which limits their detection when analyzing whole cell lysates. PTM purification methods are thus required to comprehensively characterize the presence and dynamics of PTMs using mass spectrometry-based proteomics approaches. Here we describe several of the most influential PTMs and discuss the fundamentals of proteomics experiments and PTM purification methods. PMID:26933252

  20. Incorporating Biological Mass Spectrometry into Undergraduate Teaching Labs, Part 1: Identifying Proteins Based on Molecular Mass

    Science.gov (United States)

    Arnquist, Isaac J.; Beussman, Douglas J.

    2007-01-01

    Biological mass spectrometry is an important analytical technique in drug discovery, proteomics, and research at the biology-chemistry interface. Currently, few hands-on opportunities exist for undergraduate students to learn about this technique. With the 2002 Nobel Prize being awarded, in part, for the development of biological mass…

  1. Tandem mass spectrometry data quality assessment by self-convolution

    Directory of Open Access Journals (Sweden)

    Tham Wai

    2007-09-01

    Full Text Available Abstract Background Many algorithms have been developed for deciphering the tandem mass spectrometry (MS data sets. They can be essentially clustered into two classes. The first performs searches on theoretical mass spectrum database, while the second based itself on de novo sequencing from raw mass spectrometry data. It was noted that the quality of mass spectra affects significantly the protein identification processes in both instances. This prompted the authors to explore ways to measure the quality of MS data sets before subjecting them to the protein identification algorithms, thus allowing for more meaningful searches and increased confidence level of proteins identified. Results The proposed method measures the qualities of MS data sets based on the symmetric property of b- and y-ion peaks present in a MS spectrum. Self-convolution on MS data and its time-reversal copy was employed. Due to the symmetric nature of b-ions and y-ions peaks, the self-convolution result of a good spectrum would produce a highest mid point intensity peak. To reduce processing time, self-convolution was achieved using Fast Fourier Transform and its inverse transform, followed by the removal of the "DC" (Direct Current component and the normalisation of the data set. The quality score was defined as the ratio of the intensity at the mid point to the remaining peaks of the convolution result. The method was validated using both theoretical mass spectra, with various permutations, and several real MS data sets. The results were encouraging, revealing a high percentage of positive prediction rates for spectra with good quality scores. Conclusion We have demonstrated in this work a method for determining the quality of tandem MS data set. By pre-determining the quality of tandem MS data before subjecting them to protein identification algorithms, spurious protein predictions due to poor tandem MS data are avoided, giving scientists greater confidence in the

  2. MassNet: a functional annotation service for protein mass spectrometry data

    OpenAIRE

    Park, Daeui; Kim, Byoung-Chul; Cho, Seong-Woong; Park, Seong-Jin; Choi, Jong-Soon; Kim, Seung Il; Bhak, Jong; Lee, Sunghoon

    2008-01-01

    Although mass spectrometry has been frequently used to identify proteins, there are no web servers that provide comprehensive functional annotation of those identified proteins. It is necessary to provide such web service due to a rapid increase in the data. We, therefore, introduce MassNet, which provides (i) physico-chemical analysis information, (ii) KEGG pathway assignment (iii) Gene Ontology mapping and (iv) protein–protein interaction (PPI) prediction for the data from MASCOT, Prospecto...

  3. Inhaling to mitigate exhaled bioaerosols

    OpenAIRE

    Edwards, David A.; Man, Jonathan C.; Brand, Peter; Katstra, Jeffrey P.; Sommerer, K.; Stone, Howard A.; Nardell, Edward; Scheuch, Gerhard

    2004-01-01

    Humans commonly exhale aerosols comprised of small droplets of airway-lining fluid during normal breathing. These “exhaled bioaerosols” may carry airborne pathogens and thereby magnify the spread of certain infectious diseases, such as influenza, tuberculosis, and severe acute respiratory syndrome. We hypothesize that, by altering lung airway surface properties through an inhaled nontoxic aerosol, we might substantially diminish the number of exhaled bioaerosol droplets and thereby provide a ...

  4. Analysis of triazines and associated metabolites with electrospray ionization field-asymmetric ion mobility spectrometry/mass spectrometry

    DEFF Research Database (Denmark)

    Mie, Axel; Sandulescu, Madaline; Mathiasson, Lennart; Emnéus, Jenny; Reimann, Curt

    2008-01-01

    analysis of triazines. More specifically, we studied the background reduction and sensitivity enhancement that result from the use of a new interface technique, field-asymmetric ion mobility spectrometry (FAIMS), in conjunction with electrospray ionization ion-trap mass spectrometry. This technique allows...

  5. Ultratrace analysis of uranium and plutonium by mass spectrometry

    International Nuclear Information System (INIS)

    Full text: Uranium and plutonium have traditionally been analyzed using alpha energy spectrometry. Both isotopic compositions and elemental abundances can be characterized on samples containing microgram to milligram quantities of uranium and nanogram to microgram quantities of plutonium. In the past ten years or so, considerable interest has developed in measuring nanograms quantities of uranium and sub-picogram quantities of plutonium in environmental samples. Such measurements require high sensitivity and as a consequence, sensitive mass spectrometric-based methods have been developed. Thus, the analysis of uranium and plutonium have gone from counting decays to counting atoms, with considerable increases in both sensitivity and precision for isotopic measurements. At the Pacific Northwest National Laboratory (PNNL), we have developed highly sensitive methods to analyze uranium and plutonium in environmental samples. The development of an ultratrace analysis capability for measuring uranium and plutonium has arisen from a need to detect and characterize environmental samples for signatures associated with nuclear industry processes. Our most sensitive well-developed methodologies employ thermal ionization mass spectrometry (TIMS), however, recent advances in inductively coupled plasma mass spectrometry (ICP-MS) have shown considerable promise for use in detecting uranium and plutonium at ultratrace levels. The work at PNNL has included the development of both chemical separation and purification techniques, as well as the development of mass spectrometric instrumentation and techniques. At the heart of our methodology for TIMS analysis is a procedure that utilizes 100-microliter-volumes of analyte for chemical processing to purify, separate, and load actinide elements into resin beads for subsequent mass spectrometric analysis. The resin bead technique has been combined with a thorough knowledge of the physicochemistry of thermal ion emission to achieve

  6. High Resolution Mass Spectrometry of Polyfluorinated Polyether-Based Formulation

    DEFF Research Database (Denmark)

    Dimzon, Ian Ken; Trier, Xenia; Frömel, Tobias;

    2016-01-01

    relative number per molecule. The three major repeating units were -C2H4O-, -C2F4O-, and -CF2O-. Tandem MS was used to identify the end groups that appeared to be phosphates, as well as the possible distribution of the repeating units. Reversed-phase HPLC separated of the polymer molecules on the basis of......High resolution mass spectrometry (HRMS) was successfully applied to elucidate the structure of a polyfluorinated polyether (PFPE)-based formulation. The mass spectrum generated from direct injection into the MS was examined by identifying the different repeating units manually and with the aid of...... fluorinated and non-fluorinated polymers. The information from MS is essential in studying the physico-chemical properties of PFPEs and can help in assessing the risks they pose to the environment and to human health. Graphical Abstract ᅟ....

  7. Accessing natural product biosynthetic processes by mass spectrometry.

    Science.gov (United States)

    Bumpus, Stefanie B; Kelleher, Neil L

    2008-10-01

    Two important classes of natural products are made by nonribosomal peptide synthetases (NRPSs) and polyketide synthases (PKSs). With most biosynthetic intermediates covalently tethered during biogenesis, protein mass spectrometry (MS) has proven invaluable for their interrogation. New mass spectrometric assay formats (such as selective cofactor ejection and proteomics style LC-MS) are showcased here in the context of functional insights into new breeds of NRPS/PKS enzymes, including the first characterization of an 'iterative' PKS, the biosynthesis of the enediyne antitumor antibiotics, the study of a new strategy for PKS initiation via a GNAT-like mechanism, and the analysis of branching strategies in the so-called 'AT-less' NRPS/PKS hybrid systems. The future of MS analysis of NRPS and PKS biosynthetic pathways lies in adoption and development of methods that continue bridging enzymology with proteomics as both fields continue their post-genomic acceleration. PMID:18706516

  8. Testing and Validation of Computational Methods for Mass Spectrometry.

    Science.gov (United States)

    Gatto, Laurent; Hansen, Kasper D; Hoopmann, Michael R; Hermjakob, Henning; Kohlbacher, Oliver; Beyer, Andreas

    2016-03-01

    High-throughput methods based on mass spectrometry (proteomics, metabolomics, lipidomics, etc.) produce a wealth of data that cannot be analyzed without computational methods. The impact of the choice of method on the overall result of a biological study is often underappreciated, but different methods can result in very different biological findings. It is thus essential to evaluate and compare the correctness and relative performance of computational methods. The volume of the data as well as the complexity of the algorithms render unbiased comparisons challenging. This paper discusses some problems and challenges in testing and validation of computational methods. We discuss the different types of data (simulated and experimental validation data) as well as different metrics to compare methods. We also introduce a new public repository for mass spectrometric reference data sets ( http://compms.org/RefData ) that contains a collection of publicly available data sets for performance evaluation for a wide range of different methods. PMID:26549429

  9. Laser resonant-ionization mass spectrometry of actinides

    International Nuclear Information System (INIS)

    Laser resonant-ionization mass spectrometry has been used to determine small amounts of actinides. The high sensitivity and selectivity of this method has been achieved by three-step photoionization of actinide atoms followed by time-of-flight measurement. The laser system for photoionization consists of a pulsed copper vapour laser of 30 W average power at a pulse repetition rate of 6.5 kHz which is coupled to three dye lasers. The time-of-flight spectrometer has a mass resolution of about 2500. Resonance signals with count rates of several kilohertz were obtained with actinide samples of 1010-1012 atoms yielding a detection limit of 108 atoms in the sample. With some improvements a detection sensitivity of about 106 atoms of plutonium, americium and curium should be reached. (orig.)

  10. Mass spectrometry allows direct identification of proteins in large genomes

    DEFF Research Database (Denmark)

    Küster, B; Mortensen, Peter V.; Andersen, Jens S.;

    2001-01-01

    Proteome projects seek to provide systematic functional analysis of the genes uncovered by genome sequencing initiatives. Mass spectrometric protein identification is a key requirement in these studies but to date, database searching tools rely on the availability of protein sequences derived from...... full length cDNA, expressed sequence tags or predicted open reading frames (ORFs) from genomic sequences. We demonstrate here that proteins can be identified directly in large genomic databases using peptide sequence tags obtained by tandem mass spectrometry. On the background of vast amounts of...... noncoding DNA sequence, identified peptides localize coding sequences (exons) in a confined region of the genome, which contains the cognate gene. The approach does not require prior information about putative ORFs as predicted by computerized gene finding algorithms. The method scales to the complete human...

  11. Origin of the chemical noise in ambient mass spectrometry

    International Nuclear Information System (INIS)

    The instrumental background of ambient mass spectrometry, (API-MS) is analyzed and the possible potential origins of the background noise is identified. According to the mass spectra obtained using the API-MS instruments by different manufacturers, the characteristic fragment ions all indicated that the background noise are resulted from the phthalates such as diethyl phthalate (DEP), dibutyl phthalate (DBP), benzyl butyl phthalate (BBP), bis (2-ethylhexyl) phthalate (DEHP), and silicones such as decamethylcyclopentasiloxane (D5) and dodecamethylcyclohexasiloxane (D6). These chemicals are probably released from the polymeric materials used in the ionization sources, such as O-type sealing ring etc. In addition, the instrumental background has to be considered especially during the analysis of phthalate and peptide compounds. (authors)

  12. Mass spectrometry. [in organic ion and biorganic chemistry and medicine

    Science.gov (United States)

    Burlingame, A. L.; Cox, R. E.; Derrick, P. J.

    1974-01-01

    Review of the present status of mass spectrometry in the light of pertinent recent publications spanning the period from December 1971 to January 1974. Following an initial survey of techniques, instruments, and computer applications, a sharp distinction is made between the chemistry of organic (radical-)ions and analytical applications in biorganic chemistry and medicine. The emphasis is on the chemistry of organic (radical-)ions at the expense of inorganic, organometallic, and surface ion chemistry. Biochemistry and medicine are chosen because of their contemporary importance and because of the stupendous contributions of mass spectroscopy to these fields in the past two years. In the review of gas-phase organic ion chemistry, special attention is given to studies making significant contributions to the understanding of ion chemistry.

  13. Attempt of absolute analysis with spark source mass spectrometry

    International Nuclear Information System (INIS)

    By means of a graphical method developed in our laboratory, we have studied the linearity of the response of the MS-7 mass spectrometer for impurity determinations over a concentration range of 1 to 1000 ppm (parts per million of atoms). This method consist in transforming optical density measurements into 'true intensities', which are plotted on a logarithm-scale paper against the exposures. A moving transparent ruler graduated at the inverse scale of the exposures allows us to determine directly on the graph, the concentration of impurities in ppm. We have used this method for the determination of sensitivity coefficients in standard samples such as Al, Fe, Cu, Ni, Zr, and non conducting powders like SiO2 and Al2O3. This study shows that, for the samples studied, the sensitivity coefficients are practically independent of the matrix and the concentration. Moreover the results show the possibility of obtaining an absolute analysis by spark source mass spectrometry. (author)

  14. Deblurring molecular images using desorption electrospray ionization mass spectrometry

    Science.gov (United States)

    Parry, R. Mitchell; Galhena, Asiri S.; Fernandez, Facundo M.; Wang, May D.

    2016-01-01

    Traditional imaging techniques for studying the spatial distribution of biological molecules such as proteins, metabolites, and lipids, require the a priori selection of a handful of target molecules. Imaging mass spectrometry provides a means to analyze thousands of molecules at a time within a tissue sample, adding spatial detail to proteomic, metabolomic, and lipidomic studies. Compared to traditional microscopic images, mass spectrometric images have reduced spatial resolution and require a destructive acquisition process. In order to increase spatial detail, we propose a constrained acquisition path and signal degradation model enabling the use of a general image deblurring algorithm. Our analysis shows the potential of this approach and supports prior observations that the effect of the sprayer focuses on a central region much smaller than the extent of the spray. PMID:19963935

  15. Investigation of Dendriplexes by Ion Mobility-Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    Emma-Dune Leriche

    2014-12-01

    Full Text Available Highly branched polyamidoamine (PAMAM dendrimers presenting biological activities have been envisaged as non-viral gene delivery vectors. They are known to associate with nucleic acid (DNA in non-covalent complexes via electrostatic interactions. Although their transfection efficiency has been proved, PAMAMs present a significant cytotoxicity due to their cationic surface. To overcome such a drawback, different chemical modifications of the PAMAM surface have been reported such as the attachment of hydrophobic residues. In the present work, we studied the complexation of DNA duplexes with different low-generation PAMAM; ammonia-cored G0(N and G1(N PAMAM, native or chemically modified with aromatic residues, i.e., phenyl-modified-PAMAM G0(N and phenylalanine-modified-PAMAM G1(N. To investigate the interactions involved in the PAMAM/DNA complexes, also called dendriplexes, we used electrospray ionization (ESI coupled to ion mobility spectrometry-mass-spectrometry (IM-MS. ESI is known to allow the study of non-covalent complexes in native conditions while IM-MS is a bidimensional separation technique particularly useful for the characterization of complex mixtures. IM-MS allows the separation of the expected complexes, possible additional non-specific complexes and the free ligands. Tandem mass spectrometry (MS/MS was also used for the structural characterization. This work highlights the contribution of IM-MS and MS/MS for the study of small dendriplexes. The stoichiometries of the complexes and the equilibrium dissociation constants were determined. The [DNA/native PAMAM] and [DNA/modified-PAMAM] dendriplexes were compared.

  16. Using of alpha spectrometry and secondary ion mass spectrometry for determination of thorium

    International Nuclear Information System (INIS)

    The aim of this work is the determination of the natural isotope of thorium by alpha spectrometry and secondary ion mass spectrometry, and to identify possible linear correlation between the two methods. Preparation of the disks with electrodeposed thorium was realised according to method from Eichrom Industries, Ltd and Galanda D. Samples with isotope of 232Th were prepared by electrodeposition from solution of Th(NO3)4·12H2O on high-gloss steel wheels in electrodeposition cell using solutions of Na2SO4, NaHSO4, KOH and (NH4)2(C2O4) under a current 0.75 A. Discs were measured by alpha spectrometer. The activity was calculated from obtained number of impulses for 232Th and the basic weight was calculated from this activity. After alpha spectrometry the discs were analyzed by TOF-SIMS IV, which is installed in the International Laser Center in Bratislava. Integral and normalized intensity of the isotope 232Th and intensity of ions ThO+, ThO2H+, Th2O4H+, ThO2H-, ThO3-, ThO3H-, ThH3O3-and-ThN2O5H- were measured. SIMS analysis method registered also thorium in chemically bound forms, which could reduce the effectiveness of electrodeposition. We assume that in a thin layer of electrodeposited thorium the reactions at the level of nanochemistry take place. (authors)

  17. Mass Spectrometry of Atmospheric Pressure Surface Wave Discharges

    Science.gov (United States)

    Ridenti, M. A.; Souza-Corrêa, J. A.; Amorim, J.

    2016-05-01

    By applying mass spectrometry techniques, we carried out measurements of ionic mass spectrum and their energy distribution in order to investigate an atmospheric argon discharge by using a surfatron surface-wave device. The mass and energy distribution measurements were performed with fixed flow rate (2.5 SLM) of pure argon gas (99.999%) and different Ar-O2 gas mixture compositions (99-1, 98-2 and 97-3). The mass spectra and energy distributions were recorded for Ar+, O+, O+ 2, N+ and N2 +. The axial distribution profiles of ionic mass and their energy were obtained for different experimental conditions as a function of the plasma length. The results showed that the peak of the positive ion energy distributions shifted to higher energies and also that the distribution width increased as the distance between the sampling orifice and the launcher gap was increased. It was also found that under certain experimental conditions the ion flux of atomic species were higher than the ion flux of their diatomic counterpart. The motivation of this study was to obtain a better understanding of a surface wave discharge in atmospheric pressure that may play a key role on new second generation biofuel technologies.

  18. Aerodynamic mass spectrometry interfacing of microdevices without electrospray tips.

    Science.gov (United States)

    Grym, Jakub; Otevrel, Marek; Foret, Frantisek

    2006-10-01

    A new concept for electrospray coupling of microfluidic devices with mass spectrometry was developed. The sampling orifice of the time-of-flight mass spectrometer was modified with an external adapter assisting in formation and transport of the electrosprayed plume from the multichannel polycarbonate microdevice. The compact disk sized microdevice was designed with radial channels extending to the circumference of the disk. The electrospray exit ports were formed by the channel openings on the surface of the disk rim. No additional tips at the channel exits were used. Electrospray was initiated directly from the channel openings by applying high voltage between sample wells and the entrance of the external adapter. The formation of the spatially unstable droplet at the electrospray openings was eliminated by air suction provided by a pump connected to the external adapter. Compared with the air intake through the original mass spectrometer sampling orifice, more than an order of magnitude higher flow rate was achieved for efficient transport of the electrospray plume into the mass spectrometer. Additional experiments with electric potentials applied between the entrance sections of the external adapter and the mass spectrometer indicated that the air flow was the dominant transport mechanism. Basic properties of the system were tested using mathematical modeling and characterized using ESI/TOF-MS measurements of peptide and protein samples. PMID:17102844

  19. Contrast Agent Mass Spectrometry Imaging Reveals Tumor Heterogeneity.

    Science.gov (United States)

    Tata, Alessandra; Zheng, Jinzi; Ginsberg, Howard J; Jaffray, David A; Ifa, Demian R; Zarrine-Afsar, Arash

    2015-08-01

    Mapping intratumoral heterogeneity such as vasculature and margins is important during intraoperative applications. Desorption electrospray ionization mass spectrometry (DESI-MS) has demonstrated potential for intraoperative tumor imaging using validated MS profiles. The clinical translation of DESI-MS into a universal label-free imaging technique thus requires access to MS profiles characteristic to tumors and healthy tissues. Here, we developed contrast agent mass spectrometry imaging (CA-MSI) that utilizes a magnetic resonance imaging (MRI) contrast agent targeted to disease sites, as a label, to reveal tumor heterogeneity in the absence of known MS profiles. Human breast cancer tumors grown in mice were subjected to CA-MSI using Gadoteridol revealing tumor margins and vasculature from the localization of [Gadoteridol+K](+) and [Gadoteridol+Na](+) adducts, respectively. The localization of the [Gadoteridol+K](+) adduct as revealed through DESI-MS complements the in vivo MRI results. DESI-MS imaging is therefore possible for tumors for which no characteristic MS profiles are established. Further DESI-MS imaging of the flux of the contrast agent through mouse kidneys was performed indicating secretion of the intact label. PMID:26138213

  20. Multiphoton ionization mass spectrometry of nitrated polycyclic aromatic hydrocarbons.

    Science.gov (United States)

    Tang, Yuanyuan; Imasaka, Tomoko; Yamamoto, Shigekazu; Imasaka, Totaro

    2015-08-01

    In order to suppress the fragmentation and improve the sensitivity for determination of nitrated polycyclic aromatic hydrocarbons (NPAHs), the mechanism of multiphoton ionization was studied for the following representative NPAHs, 9-nitroanthracene, 3-nitrofluoranthene, and 1-nitropyrene. The analytes were extracted from the PM2.5 on the sampling filter ultrasonically, and were measured using gas chromatography/multiphoton ionization/time-of-flight mass spectrometry with a femtosecond tunable laser in the range from 267 to 405 nm. As a result, a molecular ion was observed as the major ion and fragmentation was suppressed at wavelengths longer than 345 nm. Furthermore, the detection limit measured at 345 nm was measured to be the subpicogram level. The organic compounds were extracted from a 2.19 mg sample of particulate matter 2.5 (PM2.5), and the extract was subjected to multiphoton ionization mass spectrometry after gas chromatograph separation. The background signals were drastically suppressed at 345 nm, and the target NPAHs, including 9-nitroanthracene and 1-nitropyrene, were detected, and their concentrations were determined to be 5 and 3 pg/m(3), respectively. PMID:26048831

  1. Mass spectrometry quantification of clusterin in the human brain

    Directory of Open Access Journals (Sweden)

    Chen Junjun

    2012-08-01

    Full Text Available Abstract Background The multifunctional glycoprotein clusterin has been associated with late-onset Alzheimer’s disease (AD. Further investigation to define the role of clusterin in AD phenotypes would be aided by the development of techniques to quantify level, potential post-translational modifications, and isoforms of clusterin. We have developed a quantitative technique based on multiple reaction monitoring (MRM mass spectrometry to measure clusterin in human postmortem brain tissues. Results A stable isotope-labeled concatenated peptide (QconCAT bearing selected peptides from clusterin was expressed with an in vitro translation system and purified. This clusterin QconCAT was validated for use as an internal standard for clusterin quantification using MRM mass spectrometry. Measurements were performed on the human postmortem frontal and temporal cortex from control and severe AD cases. During brain tissues processing, 1% SDS was used in the homogenization buffer to preserve potential post-translational modifications of clusterin. However, MRM quantifications in the brain did not suggest phosphorylation of Thr393, Ser394, and Ser396 residues reported for clusterin in serum. MRM quantifications in the frontal cortex demonstrated significantly higher (P  Conclusions The proposed protocol is a universal quantitative technique to assess expression level of clusterin. It is expected that application of this protocol to quantification of various clusterin isoforms and potential post-translational modifications will be helpful in addressing the role of clusterin in AD.

  2. Mass Spectrometry Coupled Experiments and Protein Structure Modeling Methods

    Directory of Open Access Journals (Sweden)

    Lee Sael

    2013-10-01

    Full Text Available With the accumulation of next generation sequencing data, there is increasing interest in the study of intra-species difference in molecular biology, especially in relation to disease analysis. Furthermore, the dynamics of the protein is being identified as a critical factor in its function. Although accuracy of protein structure prediction methods is high, provided there are structural templates, most methods are still insensitive to amino-acid differences at critical points that may change the overall structure. Also, predicted structures are inherently static and do not provide information about structural change over time. It is challenging to address the sensitivity and the dynamics by computational structure predictions alone. However, with the fast development of diverse mass spectrometry coupled experiments, low-resolution but fast and sensitive structural information can be obtained. This information can then be integrated into the structure prediction process to further improve the sensitivity and address the dynamics of the protein structures. For this purpose, this article focuses on reviewing two aspects: the types of mass spectrometry coupled experiments and structural data that are obtainable through those experiments; and the structure prediction methods that can utilize these data as constraints. Also, short review of current efforts in integrating experimental data in the structural modeling is provided.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-05-21

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

  4. Optimal selection of epitopes for TXP-immunoaffinity mass spectrometry

    Directory of Open Access Journals (Sweden)

    Joos Thomas

    2010-06-01

    Full Text Available Abstract Background Mass spectrometry (MS based protein profiling has become one of the key technologies in biomedical research and biomarker discovery. One bottleneck in MS-based protein analysis is sample preparation and an efficient fractionation step to reduce the complexity of the biological samples, which are too complex to be analyzed directly with MS. Sample preparation strategies that reduce the complexity of tryptic digests by using immunoaffinity based methods have shown to lead to a substantial increase in throughput and sensitivity in the proteomic mass spectrometry approach. The limitation of using such immunoaffinity-based approaches is the availability of the appropriate peptide specific capture antibodies. Recent developments in these approaches, where subsets of peptides with short identical terminal sequences can be enriched using antibodies directed against short terminal epitopes, promise a significant gain in efficiency. Results We show that the minimal set of terminal epitopes for the coverage of a target protein list can be found by the formulation as a set cover problem, preceded by a filtering pipeline for the exclusion of peptides and target epitopes with undesirable properties. Conclusions For small datasets (a few hundred proteins it is possible to solve the problem to optimality with moderate computational effort using commercial or free solvers. Larger datasets, like full proteomes require the use of heuristics.

  5. Bead Separation and MALDI-TOF Mass Spectrometry Analysis

    Directory of Open Access Journals (Sweden)

    Nai-Jun Fan

    2012-01-01

    Full Text Available Background. Colorectal cancer (CRC is one of the most common cancers in the world, identification of biomarkers for early detection of CRC represents a relevant target. The present study aims to determine serum peptidome patterns for CRC diagnosis. Methods. The present work focused on serum proteomic analysis of 32 health volunteers and 38 CRC by ClinProt Kit combined with mass spectrometry. This approach allowed the construction of a peptide patterns able to differentiate the studied populations. An independent group of serum (including 33 health volunteers, 34 CRC, 16 colorectal adenoma, 36 esophageal carcinoma, and 31 gastric carcinoma samples was used to verify the diagnostic and differential diagnostic capability of the peptidome patterns blindly. An immunoassay method was used to determine serum CEA of CRC and controls. Results. A quick classifier algorithm was used to construct the peptidome patterns for identification of CRC from controls. Two of the identified peaks at m/z 741 and 7772 were used to construct peptidome patterns, achieving an accuracy close to 100% (>CEA, P<0.05. Furthermore, the peptidome patterns could differentiate validation group with high accuracy. Conclusions. These results suggest that the ClinProt Kit combined with mass spectrometry yields significantly higher accuracy for the diagnosis and differential diagnosis of CRC.

  6. Isotope determination of sulfur by mass spectrometry in soil samples

    Directory of Open Access Journals (Sweden)

    Alexssandra Luiza Rodrigues Molina Rossete

    2012-12-01

    Full Text Available Sulphur plays an essential role in plants and is one of the main nutrients in several metabolic processes. It has four stable isotopes (32S, 33S, 34S, and 36S with a natural abundance of 95.00, 0.76, 4.22, and 0.014 in atom %, respectively. A method for isotopic determination of S by isotope-ratio mass spectrometry (IRMS in soil samples is proposed. The procedure involves the oxidation of organic S to sulphate (S-SO4(2-, which was determined by dry combustion with alkaline oxidizing agents. The total S-SO4(2- concentration was determined by turbidimetry and the results showed that the conversion process was adequate. To produce gaseous SO2 gas, BaSO4 was thermally decomposed in a vacuum system at 900 ºC in the presence of NaPO3. The isotope determination of S (atom % 34S atoms was carried out by isotope ratio mass spectrometry (IRMS. In this work, the labeled material (K2(34SO4 was used to validate the method of isotopic determination of S; the results were precise and accurate, showing the viability of the proposed method.

  7. Analysis of hazardous biological material by MALDI mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    KL Wahl; KH Jarman; NB Valentine; MT Kingsley; CE Petersen; ST Cebula; AJ Saenz

    2000-03-21

    Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-MS) has become a valuable tool for analyzing microorganisms. The speed with which data can be obtained from MALDI-MS makes this a potentially important tool for biological health hazard monitoring and forensic applications. The excitement in the mass spectrometry community in this potential field of application is evident by the expanding list of research laboratories pursuing development of MALDI-MS for bacterial identification. Numerous research groups have demonstrated the ability to obtain unique MALDI-MS spectra from intact bacterial cells and bacterial cell extracts. The ability to differentiate strains of the same species has been investigated. Reproducibility of MALDI-MS spectra from bacterial species under carefully controlled experimental conditions has also been demonstrated. Wang et al. have reported on interlaboratory reproducibility of the MALDI-MS analysis of several bacterial species. However, there are still issues that need to be addressed, including the careful control of experimental parameters for reproducible spectra and selection of optimal experimental parameters such as solvent and matrix.

  8. Automated spike preparation system for Isotope Dilution Mass Spectrometry (IDMS)

    International Nuclear Information System (INIS)

    Isotope Dilution Mass Spectrometry (IDMS) is a method frequently employed to measure dissolved, irradiated nuclear materials. A known quantity of a unique isotope of the element to be measured (referred to as the ''spike'') is added to the solution containing the analyte. The resulting solution is chemically purified then analyzed by mass spectrometry. By measuring the magnitude of the response for each isotope and the response for the ''unique spike'' then relating this to the known quantity of the ''spike'', the quantity of the nuclear material can be determined. An automated spike preparation system was developed at the Savannah River Site (SRS) to dispense spikes for use in IDMS analytical methods. Prior to this development, technicians weighed each individual spike manually to achieve the accuracy required. This procedure was time-consuming and subjected the master stock solution to evaporation. The new system employs a high precision SMI Model 300 Unipump dispenser interfaced with an electronic balance and a portable Epson HX-20 notebook computer to automate spike preparation

  9. Cancer biomarker discovery in saliva by mass spectrometry

    Directory of Open Access Journals (Sweden)

    Kiran S. Ambatipudi

    2014-05-01

    Full Text Available The quest for biomarkers has been much pursued to aid in the early diagnosis, monitor post-treatment progress and development of targeted therapies. Nevertheless, the translation of biomarker discovery to clinical use has been limited due to multiple reasons such as the long path from discovery to clinical assays, limitation of samples and incoherent pipeline for biomarker development. To date, diagnosis of cancer has been based on biopsies and histological examinations and often becomes difficult to get repeated sampling from patients for confirmation. Consequently, it is important for clinical researchers to look at multiple body fluids and different molecular techniques to identify biomarkers. One such bodyfluid is saliva, which is easily and non-invasively collected and contains thousands of potential protein biomarkers. Moreover, recent advances in the sensitivity and specificity of mass spectrometry based proteomics hold great promise to identify potential biomarkers. This review presents an overview of the potential use of saliva and mass spectrometry for global discovery and validation of biomarkers.

  10. An efficient data format for mass spectrometry based proteomics

    Energy Technology Data Exchange (ETDEWEB)

    Shah, Anuj R.; Davidson, Jennifer L.; Monroe, Matthew E.; Mayampurath, Anoop M.; Danielson, William F.; Shi, Yan; Robinson, Aaron C.; Clowers, Brian H.; Belov, Mikhail E.; Anderson, Gordon A.; Smith, Richard D.

    2010-10-01

    The diverse range of mass spectrometry (MS) instrumentation along with corresponding proprietary and non-proprietary data formats has generated a proteomics community driven call for a standardized format to facilitate management, processing, storing, visualization, and exchange of both experimental and processed data. To date, significant efforts have been extended towards standardizing XML-based formats for mass spectrometry data representation, despite the recognized inefficiencies associated with storing large numeric datasets in XML. The proteomics community has periodically entertained alternate strategies for data exchange, e.g., using a common application programming interface or a database-derived format. However these efforts have yet to garner significant attention, mostly because they haven’t illustrated significant performance benefits over existing standards, but also due to issues such as extensibility to multi-dimensional separation systems, robustness of operation, and incomplete or mismatched vocabulary. Here, we describe a format based on standard database principles that offers multiple benefits over existing formats in terms of storage size, ease of processing, data retrieval times and extensibility to accommodate multi-dimensional separation systems.

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

    International Nuclear Information System (INIS)

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

  12. Mass spectrometry and isotopes: a century of research and discussion.

    Science.gov (United States)

    Budzikiewicz, Herbert; Grigsby, Ronald D

    2006-01-01

    In 1815, the British physician William Prout had advanced the theory that the molecular masses of elements were multiples of the mass of hydrogen. This "whole number rule" (and especially deviations from it) played an important role in the discussion whether elements could be mixtures of isotopes. F. Soddy's discovery (1910) that lead obtained by decay of uranium and of thorium differed in mass was considered a peculiarity of radioactive materials. The question of the existence of isotopes came up when the instruments developed by J.J. Thomson and by W. Wien to study cathode and canal rays by deflection in electric and magnetic fields were steadily improved. In 1913, Thomson mentioned a weak line at mass 22 accompanying the expected one at mass 20 when he analyzed the mass spectrum of neon. Subsequently Aston obtained the mass spectrum of chlorine with masses at 35 and 37. Still in 1921, Thomson objected heavily to the idea of isotopes. The isotope problem was finally settled, but more accurate mass measurements showed that even isotopic weights differed to some extent from the whole numbers. Based on earlier ideas of P. Langevin and J.-L. Costa, F.W. Aston and A.J. Dempster developed the idea of packing fractions and mass defects due to the transformation of a portion of the matter comprising the atomic nucleus into energy. While the determination of the exact isotopic masses had improved over the years, the accurate determination of isotopic abundances remained a problem as long as photographic recording was used. Here especially A.O. Nier pioneered using dual collectors and compensation measurements. This was the prerequisite for the discovery that isotopic ratios varied somewhat in nature. M. Dole discovered the fractionation of oxygen isotopes by photosynthesis and respiration. Today 13C/12C-ratios are employed to detect adulterations of food and in doping analysis, and 14C/13C-ratios obtained by accelerator mass spectrometry are used for dating historical

  13. Resolution of time-of-flight mass spectrometers evaluated for secondary neutral mass spectrometry

    Science.gov (United States)

    Kato, Makoto; Mogami, Akinori; Naito, Motohiro; Ichimura, Shingo; Shimizu, Hazime

    1988-09-01

    Mass resolution of a time-of-flight mass spectrometer with a two-stage electrostatic reflector is calculated for secondary neutral mass spectrometry. The instrument parameters are optimized for energy and space focusing: correcting the flight time difference due to the energy width ΔE of sputtered particles and the spatial width Δs of an ionizing laser beam. The effect of Δs can be compensated by applying an acceleration field to the ionizing region, and the maximum resolution becomes about 1000 for ΔE=10 eV and Δs=1.0 mm.

  14. Non-Target Screening of Veterinary Drugs Using Tandem Mass Spectrometry on SmartMass

    Science.gov (United States)

    Xia, Bing; Liu, Xin; Gu, Yu-Cheng; Zhang, Zhao-Hui; Wang, Hai-Yan; Ding, Li-Sheng; Zhou, Yan

    2013-05-01

    Non-target screening of veterinary drugs using tandem mass spectrometric data was performed on the SmartMass platform. This newly developed software uses the characteristic fragmentation patterns (CFP) to identify chemicals, especially those containing particular substructures. A mixture of 17 sulfonamides was separated by ultra performance liquid chromatography (UPLC), and SmartMass was used to process the tandem mass spectrometry (MS/MS) data acquired on an Orbitrap mass spectrometer. The data were automatically extracted, and each sulfonamide was recognized and analyzed with a prebuilt analysis rule. By using this software, over 98 % of the false candidate structures were eliminated, and all the correct structures were found within the top 10 of the ranking lists. Furthermore, SmartMass could also be used to identify slightly modified contraband drugs and metabolites with simple prebuilt rules. [Figure not available: see fulltext.

  15. Inductively Coupled Plasma Zoom-Time-of-Flight Mass Spectrometry

    Science.gov (United States)

    Dennis, Elise A.; Ray, Steven J.; Enke, Christie G.; Hieftje, Gary M.

    2016-03-01

    A zoom-time-of-flight mass spectrometer has been coupled to an inductively coupled plasma (ICP) ionization source. Zoom-time-of-flight mass spectrometry (zoom-TOFMS) combines two complementary types of velocity-based mass separation. Specifically, zoom-TOFMS alternates between conventional, constant-energy acceleration (CEA) TOFMS and energy-focused, constant-momentum acceleration (CMA) (zoom) TOFMS. The CMA mode provides a mass-resolution enhancement of 1.5-1.7× over CEA-TOFMS in the current, 35-cm ICP-zoom-TOFMS instrument geometry. The maximum resolving power (full-width at half-maximum) for the ICP-zoom-TOFMS instrument is 1200 for CEA-TOFMS and 1900 for CMA-TOFMS. The CMA mode yields detection limits of between 0.02 and 0.8 ppt, depending upon the repetition rate and integration time—compared with single ppt detection limits for CEA-TOFMS. Isotope-ratio precision is shot-noise limited at approximately 0.2% relative-standard deviation (RSD) for both CEA- and CMA-TOFMS at a 10 kHz repetition rate and an integration time of 3-5 min. When the repetition rate is increased to 43.5 kHz for CMA, the shot-noise limited, zoom-mode isotope-ratio precision is improved to 0.09% RSD for the same integration time.

  16. Method for predicting peptide detection in mass spectrometry

    Science.gov (United States)

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

    2010-07-13

    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.

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

    Science.gov (United States)

    Wu, Qinghao; Zare, Richard N

    2015-01-01

    A two-step laser desorption lamp ionization source coupled to an ion trap mass spectrometer (LDLI-ITMS) has been constructed and characterized. The pulsed infrared (IR) output of an Nd:YAG laser (1064 nm) is directed to a target inside a chamber evacuated to ~15 Pa causing desorption of molecules from the target's surface. The desorbed molecules are ionized by a vacuum ultraviolet (VUV) lamp (filled with xenon, major wavelength at 148 nm). The resulting ions are stored and detected in a three-dimensional quadrupole ion trap modified from a Finnigan Mat LCQ mass spectrometer operated at a pressure of ≥ 0.004 Pa. The limit of detection for desorbed coronene molecules is 1.5 pmol, which is about two orders of magnitude more sensitive than laser desorption laser ionization mass spectrometry using a fluorine excimer laser (157 nm) as the ionization source. The mass spectrum of four standard aromatic compounds (pyrene, coronene, rubrene and 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine (OPC)) shows that parent ions dominate. By increasing the infrared laser power, this instrument is capable of detecting inorganic compounds. PMID:25601688

  18. Mass Spectrometry-Based Proteomics for Translational Research: A Technical Overview

    OpenAIRE

    Kadiyala, Vivek; Paulo, Joao A.; Banks, Peter Alan; Steen, Hanno; Conwell, Darwin Lewis

    2012-01-01

    Mass spectrometry-based investigation of clinical samples enables the high-throughput identification of protein biomarkers. We provide an overview of mass spectrometry-based proteomic techniques that are applicable to the investigation of clinical samples. We address sample collection, protein extraction and fractionation, mass spectrometry modalities, and quantitative proteomics. Finally, we examine the limitations and further potential of such technologies. Liquid chromatography fractionati...

  19. Mass spectrometry-based proteomics in the life sciences: a review

    OpenAIRE

    Kambiz Gilany; Luc Moens

    2010-01-01

    Proteomics concerns itself with the characterization and function of all cellular proteins, the ultimate determinants of cellular function. Mass spectrometry has emerged as the preferred method for in-depth characterization of the protein components of biological systems. Using mass spectrometry, key insights into the composition, regulation and function of molecular complexes and pathways have been gained. Now days, mass spectrometry-based proteomics has become an indispensable tool in the c...

  20. The role of mass spectrometry in medicinal plant research.

    Science.gov (United States)

    Héthelyi, E; Tétényi, P; Dabi, E; Dános, B

    1987-11-01

    In phytochemical and chemotaxonomic research work mass spectrometry plays an outstandingly important role. Using gas chromatography/mass spectrometry (GC/MS) we established the chemotaxa of Tanacetum vulgare L. Chemotypes with essential oils containing 60-90% of artemisia ketone, carveol, dihydrocarvone, myrtenol, umbellulone, terpinen-4-ol, davanone, and Tagetes species containing various essential oils can be clearly distinguished by their spectra; we examined many variations of Tagetes erecta, T. lucida, T. minuta, T. patula and T. tenuifolia. We have identified alpha-beta-pinene-, 1,8-cineol-, linalool-, camphor-, nerol-, geraniol- and gamma-gurjonene as components of Achillea distans L. Injecting the essential oil direct from the oil-secreting organs of T. minuta plants we identified using GC/MS 6-10 and 16% eugenol from the involucral bract and hypsophyll, respectively, as well as beta-ocimene, dihydrotagetone, tagetone, Z- and E-ocimenones. In the course of studies on essential fatty acids Borago officinalis and Lappula squarrosa were selected from 70 species of the family Boraginaceae to obtain seed oil as a source of gamma-linolenic acid, and for the PG synthesis we isolated several grams of gamma-linolenic acid, as well as C18:4, i.e. octadecatetraenic acid, from L. squarrosa on the basis of the mass spectra. From the seed oil of Aquilegia vulgaris C18:3 (5) from the oil of Limnanthes dougloasii C20:1 (5) and from the seed oils of Delphinium consolida and of Tropaeolum species (T. majus, T. minus, T. peregrinum) C20:1 (11) fatty acids were identified on the basis of spectra. PMID:2962668

  1. Quantitative liquid chromatography/mass spectrometry/mass spectrometry warfarin assay for in vitro cytochrome P450 studies.

    Science.gov (United States)

    Zhang, Z Y; King, B M; Wong, Y N

    2001-11-01

    A sensitive assay using high-performance liquid chromatography tandem mass spectrometry (MS/MS) has been established for the quantitative analysis of cytochrome P450 form-specific activities using warfarin as a probe substrate. Four metabolites, 6-, 7-, 8-, and 10-hydroxywarfarin, were chromatographically resolved within 10 min using gradient mobile phases. The mass spectrometry was operated under negative ionization mode. The MS/MS product ion spectra of warfarin and the metabolites were generated using collision-activated dissociation and interpreted. The abundant product ions of the metabolites were selected for quantification applying multiple reaction monitoring. Quantification was based on a quadratic or power curve of the peak area ratio of the metabolite over the internal standard against the respective concentration of the metabolite. This assay has been validated from 2 to 1000 nM for 10-hydroxywarfarin and from 2 to 5000 nM for 6-, 7-, and 8-hydroxywarfarin and successfully applied to evaluate cytochrome P450-mediated drug-drug interactions in vitro using human hepatocytes and liver microsomal preparations. PMID:11673893

  2. Characterization of extractable organochlorines from marine animals by Neutron Activation Mass Spectrometry and Nuclear Magnetic Resonance Spectrometry

    International Nuclear Information System (INIS)

    Tissues of a large variety of animals from the North Atlantic were extracted and analyzed for extractable organic chlorine (EOCl). The richest sources, in terms of Cl/lipid, were eggs, gonads and brains of cod and heart of harp seals. The tissues were extracted and the extracts were fractionated by gel permeation chromatography or dialysis. The fractions were screened for Cl by mass spectrometry, and the promising fractions were analysed by neutron activation to quantitate the amounts of chlorine. Fractions containing the majority of the chlorine were fractionated further by esterification and reversed phase chromatography followed by mass spectrometry and nuclear magnetic resonance spectrometry. (author)

  3. Transition of Iodine Analysis to Accelerator Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Watrous, Matthew George [Idaho National Lab. (INL), Idaho Falls, ID (United States); Adamic, Mary Louise [Idaho National Lab. (INL), Idaho Falls, ID (United States); Olson, John Eric [Idaho National Lab. (INL), Idaho Falls, ID (United States); Baeck, D. L. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Fox, R. V. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Hahn, P. A. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Jenson, D. D. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Lister, T. E. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-09-01

    The goal of the project, New Paradigms for Isotope Ratio Mass Spectrometry: Raising the Scientific Profile and Improved Performance for Accelerator Mass Spectrometry (AMS) and Thermal Ionization Mass Spectrometry (TIMS), is to ensure that the ongoing isotope ratio determination capability within the U.S. Department of Energy complex is the world’s best for application to nonproliferation. This report spells out the progress of Task 4, Transition of TIMS to AMS for Iodine Analysis, of the larger project. The subtasks under Task 4 and the accomplishments throughout the three year project life cycle are presented in this report. Progress was made in optimization of chemical extraction, determination of a detection limit for 127Iodine, production of standard materials for AMS analysis quality assurance, facilitation of knowledge exchange with respect to analyzing iodine on an AMS, cross comparison with a world-leading AMS laboratory, supercritical fluid extraction of iodine for AMS analysis and electrodeposition of seawater as a direct method of preparation for iodine analysis by AMS--all with the goal of minimizing the time required to stand up an AMS capability for iodine analysis of exposed air filters at INL. An effective extraction method has been developed and demonstrated for iodine analysis of exposed air filters. Innovative techniques to accomplish the cathode preparation for AMS analysis were developed and demonstrated and published. The known gap of a lack of available materials for reference standards in the analysis of iodine by AMS was filled by the preparation of homogenous materials that were calibrated against NIST materials. A minimum limit on the amount of abundant isotope in a sample was determined for AMS analysis. The knowledge exchange occurred with fantastic success. Scientists engaged the international AMS community at conferences, as well as in their laboratories for collaborative work. The supercritical fluid extraction work has positive

  4. High mass accuracy and high mass resolving power FT-ICR secondary ion mass spectrometry for biological tissue imaging

    NARCIS (Netherlands)

    Smith, D.F.; Kiss, A.; Leach, F.E.; Robinson, E.W.; Paša-Tolić, L.; Heeren, R.M.A.

    2013-01-01

    Biological tissue imaging by secondary ion mass spectrometry has seen rapid development with the commercial availability of polyatomic primary ion sources. Endogenous lipids and other small bio-molecules can now be routinely mapped on the sub-micrometer scale. Such experiments are typically performe

  5. The use of mass spectrometry to analyze dried blood spots.

    Science.gov (United States)

    Wagner, Michel; Tonoli, David; Varesio, Emmanuel; Hopfgartner, Gérard

    2016-01-01

    Dried blood spots (DBS) typically consist in the deposition of small volumes of capillary blood onto dedicated paper cards. Comparatively to whole blood or plasma samples, their benefits rely in the fact that sample collection is easier and that logistic aspects related to sample storage and shipment can be relatively limited, respectively, without the need of a refrigerator or dry ice. Originally, this approach has been developed in the sixties to support the analysis of phenylalanine for the detection of phenylketonuria in newborns using bacterial inhibition test. In the nineties tandem mass spectrometry was established as the detection technique for phenylalanine and tyrosine. DBS became rapidly recognized for their clinical value: they were widely implemented in pediatric settings with mass spectrometric detection, and were closely associated to the debut of newborn screening (NBS) programs, as a part of public health policies. Since then, sample collection on paper cards has been explored with various analytical techniques in other areas more or less successfully regarding large-scale applications. Moreover, in the last 5 years a regain of interest for DBS was observed and originated from the bioanalytical community to support drug development (e.g., PK studies) or therapeutic drug monitoring mainly. Those recent applications were essentially driven by improved sensitivity of triple quadrupole mass spectrometers. This review presents an overall view of all instrumental and methodological developments for DBS analysis with mass spectrometric detection, with and without separation techniques. A general introduction to DBS will describe their advantages and historical aspects of their emergence. A second section will focus on blood collection, with a strong emphasis on specific parameters that can impact quantitative analysis, including chromatographic effects, hematocrit effects, blood effects, and analyte stability. A third part of the review is dedicated to

  6. Evaluation of correction method for mass discrimination effect in multiple collector inductively coupled plasma mass spectrometry

    International Nuclear Information System (INIS)

    This paper describes advances in isotopic measurements that have been made with an inductively coupled plasma source magnetic sector multiple collector mass spectrometer (MC-ICP-MS) and presents results of new experiments aimed at further evaluating the instrumental capability as well as the correction technique for the mass discrimination effects. The ability to correct for the mass discrimination effect using a second element of similar mass and very high sensitivity for elements that are otherwise difficult to ionize gives this instrument major advantages over other conventional techniques for isotopic measurements. The isotopic data obtained by MC-ICP-MS clearly demonstrate potential as a new technique to produce precise and reproducible isotopic data for the elements that are difficult to measure by thermal ionization mass spectrometry (TIMS). (author)

  7. Silver Coating for High-Mass-Accuracy Imaging Mass Spectrometry of Fingerprints on Nanostructured Silicon.

    Science.gov (United States)

    Guinan, Taryn M; Gustafsson, Ove J R; McPhee, Gordon; Kobus, Hilton; Voelcker, Nicolas H

    2015-11-17

    Nanostructure imaging mass spectrometry (NIMS) using porous silicon (pSi) is a key technique for molecular imaging of exogenous and endogenous low molecular weight compounds from fingerprints. However, high-mass-accuracy NIMS can be difficult to achieve as time-of-flight (ToF) mass analyzers, which dominate the field, cannot sufficiently compensate for shifts in measured m/z values. Here, we show internal recalibration using a thin layer of silver (Ag) sputter-coated onto functionalized pSi substrates. NIMS peaks for several previously reported fingerprint components were selected and mass accuracy was compared to theoretical values. Mass accuracy was improved by more than an order of magnitude in several cases. This straightforward method should form part of the standard guidelines for NIMS studies for spatial characterization of small molecules. PMID:26460234

  8. Advances in characterizing ubiquitylation sites by mass spectrometry

    DEFF Research Database (Denmark)

    Sylvestersen, K.B.; Young, C.; Nielsen, M.L.

    2013-01-01

    ubiquitylation is a two-fold challenge that involves the mapping of ubiquitylation sites and the determination of ubiquitin chain topology. This review focuses on the technical advances in the mass spectrometry-based characterization of ubiquitylation sites, which have recently involved the large......The attachment of one or more ubiquitin moieties to proteins plays a central regulatory mechanism in eukaryotic cells. Protein ubiquitylation regulates numerous cellular processes, including protein degradation, signal transduction, DNA repair and cell division. The characterization of......-scale identification of ubiquitylation sites by peptide-level enrichment strategies. The discovery that ubiquitylation is a widespread modification similar to phosphorylation and acetylation suggests cross-talk may also occur at the post translational modification level. © 2012 Elsevier Ltd....

  9. Mass Spectrometry-Based Label-Free Quantitative Proteomics

    Directory of Open Access Journals (Sweden)

    Wenhong Zhu

    2010-01-01

    Full Text Available In order to study the differential protein expression in complex biological samples, strategies for rapid, highly reproducible and accurate quantification are necessary. Isotope labeling and fluorescent labeling techniques have been widely used in quantitative proteomics research. However, researchers are increasingly turning to label-free shotgun proteomics techniques for faster, cleaner, and simpler results. Mass spectrometry-based label-free quantitative proteomics falls into two general categories. In the first are the measurements of changes in chromatographic ion intensity such as peptide peak areas or peak heights. The second is based on the spectral counting of identified proteins. In this paper, we will discuss the technologies of these label-free quantitative methods, statistics, available computational software, and their applications in complex proteomics studies.

  10. Dating of some fossil Romanian bones by accelerator mass spectrometry

    International Nuclear Information System (INIS)

    Some fossil bones from Romanian territories have been dated by accelerator mass spectrometry (AMS) using the pelletron system from Lund University. The preparation of samples has been the classical procedure to produce pure graphite from bones specimens, The Paleolithic site from Malu Rosu, near Giurgiu was thoroughly analyzed. Two human fossil skulls from Cioclovina and Baia de Fier of special archaeological importance have been estimated to be of around 30 000 years old, a conclusion with great implications for the history of ancient Romania. By this physical analysis, a long scientific dispute was settled. The two fossil human skulls are the only ones of this age from Romania. One could advance the hypothesis that the skulls belong to a certain type of a branch of Central European Cro-Magon, the classical western type, considering both the chronological and the anthropological features. They constitute eastern limit of the Cro-Magnon man type. (authors)

  11. Studies of Al metabolism in animal by accelerator mass spectrometry

    Institute of Scientific and Technical Information of China (English)

    WangNa-Xiu; ZhuHan-Min; 等

    1997-01-01

    The correlation between Al metabolism and senile dementia in animal has been studied by AMS(accelerator mass spectrometry).Three groups of laboratory rats were fed with normal food.food with high Al content,and with enriched Ca and Mg together with high Al,respectively for six to eight months.Mapping test was made to recored th degree of wisdom degeneration.Half of the rats were sacrificed and Al contents in various organs were measured by atomic absorption spectroscopy.The rest were injected with 26Al,killed after 5,10,15,25,and 35d and 26Al contents measured by AMS.The distribution of Al as well as the correlation among the accumulation of 26Al,and the existed Al content and dementia was studied.

  12. Isotopic analysis of boron by thermal ionization mass spectrometry

    International Nuclear Information System (INIS)

    This paper presents a methodology for isotopic analysis of boron by thermal ionization mass spectrometry technique through the ion intensity measurement of Na2BO+2 in H3BO3, Bo and B4C. The samples were loaded on single tantalum filaments by different methods. In the case of H3BO3, the method of neutralization with NaOH was used. For B4C the alcaline fusion with Na2CO3 and for Bo dissolution with 1:1 nitric sulfuric acid mixture followed by neutralization with NaOH was used. The isotopic ratio measurements were obtained by the use of s Faraday cup detector with external precision of ±0,4% and accuracy of ±0,1%, relative to H3BO3 isotopic standard NBS 951. The effects of isotopic fractionation was studied in function of the time during the analyses and the different chemical forms of deposition. (author)

  13. Accelerator mass spectrometry programme at BARC-TIFR pelletron accelerator

    International Nuclear Information System (INIS)

    Accelerator based mass spectrometry (ABMs) is an ultra sensitive means of counting individual atoms having sufficiently long half life and available in small amount. The 14 U D Pelletron Accelerator is an ideal machine to carry out ABMs studies with heavy isotopes like 36Cl and 129I. Cosmogenic radio isotope 36Cl is widely being detected using ABMs as it has got applications in ground water research, radioactive waste management, atmospheric 36Cl transport mechanism studies of Arctic Alpine ice core etc. As a part of the ongoing ABMs programme at 14UD Pelletron Accelerator Facility at Mumbai, a segmented gas detector developed for identification of 36Cl was tested for performance. Recently a beam chopper required for this measurement has been developed. Further progress made in this programme is discussed in this paper. (author)

  14. Attomole quantitation of protein separations with accelerator mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Vogel, J S; Grant, P G; Buccholz, B A; Dingley, K; Turteltaub, K W

    2000-12-15

    Quantification of specific proteins depends on separation by chromatography or electrophoresis followed by chemical detection schemes such as staining and fluorophore adhesion. Chemical exchange of short-lived isotopes, particularly sulfur, is also prevalent despite the inconveniences of counting radioactivity. Physical methods based on isotopic and elemental analyses offer highly sensitive protein quantitation that has linear response over wide dynamic ranges and is independent of protein conformation. Accelerator mass spectrometry quantifies long-lived isotopes such as 14C to sub-attomole sensitivity. We quantified protein interactions with small molecules such as toxins, vitamins, and natural biochemicals at precisions of 1-5% . Micro-proton-induced-xray-emission quantifies elemental abundances in separated metalloprotein samples to nanogram amounts and is capable of quantifying phosphorylated loci in gels. Accelerator-based quantitation is a possible tool for quantifying the genome translation into proteome.

  15. An improved interface for capillary zone electrophoresis-mass spectrometry

    International Nuclear Information System (INIS)

    We have recently developed an improved electrospray ionization interface for capillary electrophoresis mass-spectrometry (CZE-MS). Our initial interface employed a vacuum deposited metal film at the exit of the capillary to make an electrical contact with he eluting buffer and establish the electrospray field gradient. This interface did, however, impose significant limitations on the range of capillary electrophoretic (CE) separations that could be performed. To circumvent these limitations, an interface that does not require a metalized tip was designed nd developed. In the new approach, the electrical contact at the column exit is made through a flowing liquid sheath. The principal advantage of this interface is that it allows operation with a much broader range of electrophoresis conditions. The sheath flow can be readily varied in both composition and volume. An electrospray ionization spectrum is given for a previously intractable buffer solution. 5 refs., 2 figs

  16. Scanning laser mass spectrometry for trace level solute concentration profiles

    International Nuclear Information System (INIS)

    Scanning laser mass spectrometry (SLMS) is shown to support solid-state studies of migration of trace level solutes in solids. SLMS possesses the spatial chemical analysis capabilities necessary for these studies. Nuclides present in the solid specimen at less than 10 parts-per-million atomic (ppMa) are measured accurately with ordinary Faraday ion detectors. Spatial resolution for these studies is on the order of 25 to 50 μm. Quantification is demonstrated with standards where a relative deviation of a mean calibration factor is 1.6%. Scanning samples are achieved by sequential stepping or by a dynamic measuring technique. Several different solutes and solid matrices are measured concerned with actual solid-state experiments involving electric mobility and chemical diffusion

  17. Characterization of DNA adducts with fourier transform mass spectrometry

    International Nuclear Information System (INIS)

    The sensitive detection and unambiguous structural characterization of modified nucleic acid constituents is vital for understanding the nature of DNA modification induced by carcinogenic agents. Fourier transform mass spectrometry (FTMS) combined with matrix-assisted laser desorption provides a powerful technique for examining picomole quantities of modified nucleosides, nucleotides, and oligonucleotides. The structures of these modified biomolecules can be probed in detail with a variety of gas phase processes, including collision-induced dissociation, ion-molecule reactions such as deuterium exchange, and selective cationization reactions. Each of these processes provides a wealth of structural information which can be used to not only identify the adduct present, but also determine its exact site of attachment to the nucleic acid constituent, thereby providing isomeric differentiation. This FTMS technique has been applied to the examination of DNA damage induced by high energy (x-rays) as well as low energy radiation (far ultraviolet)

  18. 236U and its measurement with accelerator mass spectrometry

    International Nuclear Information System (INIS)

    236U is a long-lived radionuclide with half-life of 2.342(3) x 107 a. The ratio of 236U/238U is about 10-14 in the natural Uranium. The origin and production of 236U in globe are introduced and estimated in this paper, respectively. The major applications of 236U as a 100-million year neutron flux integrator, as a 'fingerprint' for monitoring nuclear environment and nuclear activity,and as a tracer in geological studies are briefly summarized. The accelerator mass spectrometry(AMS) measurement of 236U in the world and the research on HI-13 tandem accelerator at China Institute of Atomic Energy(CIAE) is also mentioned in this paper. (authors)

  19. Ovarian Cancer Classification based on Mass Spectrometry Analysis of Sera

    Directory of Open Access Journals (Sweden)

    Baolin Wu

    2006-01-01

    Full Text Available In our previous study [1], we have compared the performance of a number of widely used discrimination methods for classifying ovarian cancer using Matrix Assisted Laser Desorption Ionization (MALDI mass spectrometry data on serum samples obtained from Reflectron mode. Our results demonstrate good performance with a random forest classifier. In this follow-up study, to improve the molecular classification power of the MALDI platform for ovarian cancer disease, we expanded the mass range of the MS data by adding data acquired in Linear mode and evaluated the resultant decrease in classification error. A general statistical framework is proposed to obtain unbiased classification error estimates and to analyze the effects of sample size and number of selected m/z features on classification errors. We also emphasize the importance of combining biological knowledge and statistical analysis to obtain both biologically and statistically sound results. Our study shows improvement in classification accuracy upon expanding the mass range of the analysis. In order to obtain the best classification accuracies possible, we found that a relatively large training sample size is needed to obviate the sample variations. For the ovarian MS dataset that is the focus of the current study, our results show that approximately 20-40 m/z features are needed to achieve the best classification accuracy from MALDI-MS analysis of sera. Supplementary information can be found at http://bioinformatics.med.yale.edu/proteomics/BioSupp2.html.

  20. Aerogel dust collection for in situ mass spectrometry analysis

    Science.gov (United States)

    Jones, S. M.; Anderson, M. S.; Davies, A. G.; Kirby, J. P.; Burchell, M. J.; Cole, M. J.

    2015-02-01

    The current technique for conducting in situ mass spectroscopic analysis of dust around extraterrestrial bodies is to have the dust impact a solid plate and analyze the atoms and molecular fragments resulting from the high speed impact. Due to the fact that the kinetic energy from the impact is converted primarily to thermal energy, much of the organic compounds present in the dust may be significantly altered or destroyed. To avoid this problem, aerogel could be used to capture the dust grains, largely intact, maintaining the integrity of the organic compounds in the interior of the dust grains. To demonstrate that organic molecules, present as minor components of silica particles, would survive hypervelocity capture in aerogel and can then be analyzed with mass spectrometry, several light gas gun impact tests and analyses were conducted. Fine particles containing polycyclic aromatic hydrocarbons (PAHs) were captured in aerogel at 5.5 km s-1. The flow of metastable helium from a Direct Analysis Real Time (DART) source was used to desorb and ionize the organics, which were then analyzed with a mass spectrometer. The PAHs were detected and identified by the DART-MS, demonstrating that this method could be used on future flight instruments.

  1. Cold source of electrons for mass-spectrometry

    International Nuclear Information System (INIS)

    A cold source electron is proposed and realized. The main element of the source is a cylindrical cold cathode with a metal-dielectric-metal (MDM) thin layer structure. The design of the latter includes a copper or molybdenum central electrode, a double dielectric layer of SiO2 and SiN and an aluminium layer as a second electrode. The working layer of the structure is the SiN layer with a 30-40 nm thickness. The volt-ampere characteristics of an MDM cold cathode is shown to be of N-like form with 100 mA/cm2 density of the emission current, 0.5 mA/W energetic efficiency and 2.5 · 10-3 transfer current coefficient. The parameters of MDM cathode are stabilized by a bias of the structure during a finite period of time. A supply of the cold source with MDM cathode was designed for automatic regulation and stabilization of the emission current. The performance of the MDM cold cathode based on Mo-SixNyOz - Al layered structures was tested in the Nira-Type ion source of the Bennett mass-spectrometer. The comparative characteristic of the MDM cold cathode of a usual tungsten cathode show that the latter is more efficient for utilization in mass-spectrometry, especially in portable mass-spectrometer. (authors)

  2. Imaging mass spectrometry of a coral microbe interaction with fungi.

    Science.gov (United States)

    Moree, Wilna J; Yang, Jane Y; Zhao, Xiling; Liu, Wei-Ting; Aparicio, Marystella; Atencio, Librada; Ballesteros, Javier; Sánchez, Joel; Gavilán, Ronnie G; Gutiérrez, Marcelino; Dorrestein, Pieter C

    2013-07-01

    Fungal infections are increasing worldwide, including in the aquatic environment. Microbiota that coexist with marine life can provide protection against fungal infections by secretion of metabolites with antifungal properties. Our laboratory has developed mass spectrometric methodologies with the goal of improving our functional understanding of microbial metabolites and guiding the discovery process of anti-infective agents from natural sources. GA40, a Bacillus amyloliquefaciens strain isolated from an octocoral in Panama, displayed antifungal activity against various terrestrial and marine fungal strains. Using matrix-assisted laser desorption/ionization-imaging mass spectrometry (MALDI-IMS), the molecular species produced by this microbe were visualized in a side-by-side interaction with two representative fungal strains, Aspergillus fumigatus and Aspergillus niger. The visualization was performed directly on the agar without the need for extraction. By evaluating the spatial distributions, relative intensities and m/z values of GA40 secreted metabolites in the fungal interactions and singly grown control colonies, we obtained insight into the antifungal activity of secreted metabolites. Annotation of GA40 metabolites observed in MALDI-IMS was facilitated by MS/MS networking analysis, a mass spectrometric technique that clusters metabolites with similar MS/MS fragmentation patterns. This analysis established that the predominant GA40 metabolites belong to the iturin family. In a fungal inhibition assay of A. fumigatus, the GA40 iturin metabolites were found to be responsible for the antifungal properties of this Bacillus strain. PMID:23881443

  3. Fast atom bombardment tandem mass spectrometry of carotenoids

    Energy Technology Data Exchange (ETDEWEB)

    van Breeman, R.B. [Univ. of Illinois, Chicago, IL (United States); Schmitz, H.H.; Schwartz, S.J. [North Carolina State Univ., Raleigh, NC (United States)

    1995-02-01

    Positive ion fast atom bombardment (FAB) tandem mass spectrometry (MS-MS) using a double-focusing mass spectrometer with linked scanning at constant B/E and high-energy collisionally activated dissociation (CAD) was used to differentiate 17 different cartenoids, including {beta}-apo-8{prime}- carotenal, astaxanthin, {alpha}-carotene, {beta}-carotene, {gamma}-carotene, {zeta}-carotene, canthaxanthin, {beta}-cryptoxanthin, isozeaxanthin bis (pelargonate), neoxanthin, neurosporene, nonaprene, lutein, lycopene, phytoene, phytofluene, and zeaxanthin. The carotenoids were either synthetic or isolated from plant tissues. The use of FAB ionization minimized degradation or rearrangement of the carotenoid structures due to the inherent thermal instability generally ascribed to these compounds. Instead of protonated molecules, both polar xanthophylls and nonpolar carotenes formed molecular ions, M{sup {center_dot}+}, during FAB ionization. Following collisionally activated dissociation, fragment ions of selected molecular ion precursors showed structural features indicative of the presence of hydroxyl groups, ring systems, ester groups, and aldehyde groups and the extent of aliphatic polyene conjugation. The fragmentation patterns observed in the mass spectra herein may be used as a reference for the structural determination of carotenoids isolated from plant and animal tissues. 18 refs., 4 figs.

  4. U-series dating using thermal ionisation mass spectrometry (TIMS)

    International Nuclear Information System (INIS)

    U-series dating is based on the decay of the two long-lived isotopes238U(τ1/2=4.47 x 109 years) and 235U (τ1/2 0.7 x 109 years). 238U and its intermediate daughter isotopes 234U (τ1/2 = 245.4 ka) and 230Th (τ1/2 = 75.4 ka) have been the main focus of recently developed mass spectrometric techniques (Edwards et al., 1987) while the other less frequently used decay chain is based on the decay 235U to 231Pa (τ1/2 = 32.8 ka). Both the 238U and 235U decay chains terminate at the stable isotopes 206Pb and 207Pb respectively. Thermal ionization mass spectrometry (TIMS) has a number of inherent advantages, mainly the ability to measure isotopic ratios at high precision on relatively small samples. In spite of these now obvious advantages, it is only since the mid-1980's when Chen et al., (1986) made the first precise measurements of 234U and 232Th in seawater followed by Edwards et al., (1987) who made combined 234U-230Th measurements, was the full potential of mass spectrometric methods first realised. Several examples are given to illustrate various aspects of TIMS U-series

  5. A Century of Progress in Molecular Mass Spectrometry

    Science.gov (United States)

    McLafferty, Fred W.

    2011-07-01

    The first mass spectrum of a molecule was measured by J.J. Thomson in 1910. Mass spectrometry (MS) soon became crucial to the study of isotopes and atomic weights and to the development of atomic weapons for World War II. Its notable applications to molecules began with the quantitative analysis of light hydrocarbons during World War II. When I joined the Dow Chemical Company in 1950, MS was not favored by organic chemists. This situation improved only with an increased understanding of gaseous ion chemistry, which was obtained through the use of extensive reference data. Gas chromatography-MS was developed in 1956, and tandem MS was first used a decade later. In neutralization-reionization MS, an unusual, unstable species is prepared by ion-beam neutralization and characterized by reionization. Electrospray ionization of a protein mixture produces its corresponding ionized molecules. In top-down proteomics, ions from an individual component can be mass separated and subjected to collision-activated and electron-capture dissociation to provide extensive sequence information.

  6. Toward laser ablation Accelerator Mass Spectrometry of actinides

    International Nuclear Information System (INIS)

    A project to measure neutron capture cross sections of a number of actinides in a reactor environment by Accelerator Mass Spectrometry (AMS) at the ATLAS facility of Argonne National Laboratory is underway. This project will require the precise and accurate measurement of produced actinide isotopes in many (>30) samples irradiated in the Advanced Test Reactor at Idaho National Laboratory with neutron fluxes having different energy distributions. The AMS technique at ATLAS is based on production of highly-charged positive ions in an electron cyclotron resonance (ECR) ion source followed by acceleration in the ATLAS linac and mass-to-charge (m/q) measurement at the focus of the Fragment Mass Analyzer. Laser ablation was selected as the method of feeding the actinide material into the ion source because we expect it will have higher efficiency and lower chamber contamination than either the oven or sputtering techniques, because of a much narrower angular distribution of emitted material. In addition, a new multi-sample holder/changer to allow quick change between samples and a computer-controlled routine allowing fast tuning of the accelerator for different beams, are being developed. An initial test run studying backgrounds, detector response, and accelerator scaling repeatability was conducted in December 2010. The project design, schedule, and results of the initial test run to study backgrounds are discussed.

  7. Polymer architectures via mass spectrometry and hyphenated techniques: A review.

    Science.gov (United States)

    Crotty, Sarah; Gerişlioğlu, Selim; Endres, Kevin J; Wesdemiotis, Chrys; Schubert, Ulrich S

    2016-08-17

    This review covers the application of mass spectrometry (MS) and its hyphenated techniques to synthetic polymers of varying architectural complexities. The synthetic polymers are discussed as according to their architectural complexity from linear homopolymers and copolymers to stars, dendrimers, cyclic copolymers and other polymers. MS and tandem MS (MS/MS) has been extensively used for the analysis of synthetic polymers. However, the increase in structural or architectural complexity can result in analytical challenges that MS or MS/MS cannot overcome alone. Hyphenation to MS with different chromatographic techniques (2D × LC, SEC, HPLC etc.), utilization of other ionization methods (APCI, DESI etc.) and various mass analyzers (FT-ICR, quadrupole, time-of-flight, ion trap etc.) are applied to overcome these challenges and achieve more detailed structural characterizations of complex polymeric systems. In addition, computational methods (software: MassChrom2D, COCONUT, 2D maps etc.) have also reached polymer science to facilitate and accelerate data interpretation. Developments in technology and the comprehension of different polymer classes with diverse architectures have significantly improved, which allow for smart polymer designs to be examined and advanced. We present specific examples covering diverse analytical aspects as well as forthcoming prospects in polymer science. PMID:27286765

  8. Multigrid MALDI mass spectrometry imaging (mMALDI MSI).

    Science.gov (United States)

    Urbanek, Annett; Hölzer, Stefan; Knop, Katrin; Schubert, Ulrich S; von Eggeling, Ferdinand

    2016-05-01

    Matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI MSI) is an important technique for the spatially resolved molecular analysis of tissue sections. The selection of matrices influences the resulting mass spectra to a high degree. For extensive and simultaneous analysis, the application of different matrices to one tissue sample is desirable. To date, only a single matrix could be applied to a tissue section per experiment. However, repetitive removal of the matrix makes this approach time-consuming and damaging to tissue samples. To overcome these drawbacks, we developed a multigrid MALDI MSI technique (mMALDI MSI) that relies on automated inkjet printing to place differing matrices onto predefined dot grids. We used a cooled printhead to prevent cavitation of low viscosity solvents in the printhead nozzle. Improved spatial resolution of the dot grids was achieved by using a triple-pulse procedure that reduced droplet volume. The matrices can either be applied directly to the thaw-mounted tissue sample or by precoating the slide followed by mounting of the tissue sample. During the MALDI imaging process, we were able to precisely target different matrix point grids with the laser to simultaneously produce distinct mass spectra. Unlike the standard method, the prespotting approach optimizes the spectra quality, avoids analyte delocalization, and enables subsequent hematoxylin and eosin (H&E) staining. Graphical Abstract Scheme of the pre-spotted multigrid MALDI MSI workflow. PMID:27039200

  9. Toward laser ablation Accelerator Mass Spectrometry of actinides

    Science.gov (United States)

    Pardo, R. C.; Kondev, F. G.; Kondrashev, S.; Nair, C.; Palchan, T.; Scott, R.; Seweryniak, D.; Vondrasek, R.; Paul, M.; Collon, P.; Deibel, C.; Youinou, G.; Salvatores, M.; Palmotti, G.; Berg, J.; Fonnesbeck, J.; Imel, G.

    2013-01-01

    A project to measure neutron capture cross sections of a number of actinides in a reactor environment by Accelerator Mass Spectrometry (AMS) at the ATLAS facility of Argonne National Laboratory is underway. This project will require the precise and accurate measurement of produced actinide isotopes in many (>30) samples irradiated in the Advanced Test Reactor at Idaho National Laboratory with neutron fluxes having different energy distributions. The AMS technique at ATLAS is based on production of highly-charged positive ions in an electron cyclotron resonance (ECR) ion source followed by acceleration in the ATLAS linac and mass-to-charge (m/q) measurement at the focus of the Fragment Mass Analyzer. Laser ablation was selected as the method of feeding the actinide material into the ion source because we expect it will have higher efficiency and lower chamber contamination than either the oven or sputtering techniques, because of a much narrower angular distribution of emitted material. In addition, a new multi-sample holder/changer to allow quick change between samples and a computer-controlled routine allowing fast tuning of the accelerator for different beams, are being developed. An initial test run studying backgrounds, detector response, and accelerator scaling repeatability was conducted in December 2010. The project design, schedule, and results of the initial test run to study backgrounds are discussed.

  10. A mass accuracy sensitive probability based scoring algorithm for database searching of tandem mass spectrometry data

    Directory of Open Access Journals (Sweden)

    Freitas Michael A

    2007-04-01

    Full Text Available Abstract Background Liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS has become one of the most used tools in mass spectrometry based proteomics. Various algorithms have since been developed to automate the process for modern high-throughput LC-MS/MS experiments. Results A probability based statistical scoring model for assessing peptide and protein matches in tandem MS database search was derived. The statistical scores in the model represent the probability that a peptide match is a random occurrence based on the number or the total abundance of matched product ions in the experimental spectrum. The model also calculates probability based scores to assess protein matches. Thus the protein scores in the model reflect the significance of protein matches and can be used to differentiate true from random protein matches. Conclusion The model is sensitive to high mass accuracy and implicitly takes mass accuracy into account during scoring. High mass accuracy will not only reduce false positives, but also improves the scores of true positive matches. The algorithm is incorporated in an automated database search program MassMatrix.

  11. Continuous-flow accelerator mass spectrometry for radiocarbon analysis

    International Nuclear Information System (INIS)

    Accelerator Mass Spectrometry (AMS) is a widely used technique for radiocarbon dating of archaeological or environmental samples that are very small or very old (up to 50,000 years before present). Because of the method's extreme sensitivity, AMS can also serve as an environmental tracer and supplements conventional nuclear counting techniques for monitoring 14C emissions from operating nuclear power plants and waste repositories. The utility of present AMS systems is limited by the complex sample preparation process required. Carbon from combusted artefacts must be incorporated into a solid metallic target from which a negative ion beam is produced and accelerated to MeV energies by an accelerator for subsequent analysis. This paper will describe a novel technique being developed by the National Ocean Sciences Accelerator Mass Spectrometry (NOSAMS) Laboratory at the Woods Hole Oceanographic Institution for the production of negative carbon ion beams directly from a continuously flowing sample gas stream, eliminating the requirement for a solid target. A key component of the new technique is a microwave-driven, gaseous-feed ion source originally developed at Chalk River Laboratories for the very different requirements of a high current proton linear accelerator. A version of this ion source is now being adapted to serve as an injector for a dedicated AMS accelerator facility at NOSAMS. The paper begins with a review of the fundamentals of radiocarbon dating. Experiments carried out at NOSAMS with a prototype of the microwave ion source are described, including measurements of sample utilization efficiency and sample 'memory' effect. A new version of the microwave ion source, optimized for AMS, is also described. The report concludes with some predictions of new research opportunities that will become accessible to the technique of continuous-flow AMS. (author)

  12. An application of Accelerator Mass Spectrometry to geology

    International Nuclear Information System (INIS)

    The radionuclide 10Be is produced in the atmosphere by fragmentation reactions induced by the impact of high energy cosmic protons on N2 and O2 molecules. It arrives to the oceans through wet precipitation and it is then accumulated in deep sea sediments. Therefore, the presence of 10Be in volcanic rocks provides clear evidence that the sediments are being incorporated beneath arcs during the subduction process of the tectonics plates, since the half life of 10Be is too short (1.39 My r,) to be present in the mantle. Accelerator Mass Spectrometry (A MS) is the most sensitive technique for the detection of long lived radioisotopes (or even stable nuclides), being capable of detecting one radioactive atom among 1015 of its stable isotope. The improvement of A MS over the conventional Mass Spectrometry (MS) relies on the use of the tandem accelerator, which ensures the destruction of isobar molecules at the stripper and provides high energy for the discrimination of isobar nuclides. With the purpose of estimate the amount of sediments involved in the subduction process a simply d model was used and the isotopic ratio 10Be/9Be have been measured by A MS in ash samples of three different volcanoes of South America. The measurements were performed in a 3 MV accelerator at VERA (Vienna Environ mental Research Accelerator) by using a 500 nm silicon nitride foil like passive absorber together with a switching magnet in order to reduce the isobaric interference of 10B. Besides, an ionization chamber with segmented anode at the end of the line allowed the discrimination of other interfering particles. The ratios found (10Be/9Be∼ 10-10) are one order of magnitude higher than the reported values in volcanic rocks. It could be due to atmospheric contamination of the samples with 10Be during the eruption. New measurements with samples leached with weak acids are planed to carried out using the TANDAR accelerator

  13. Human folate metabolism using 14C-accelerator mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Clifford, A. J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Arjomand, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Duecker, S. R. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Johnson, H. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Schneider, P. D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Zulim, R. A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Bucholz, B. A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Vogel, J. S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    1999-03-25

    Folate is a water soluble vitamin required for optimal health, growth and development. It occurs naturally in various states of oxidation of the pteridine ring and with varying lengths to its glutamate chain. Folates function as one-carbon donors through methyl transferase catalyzed reactions. Low-folate diets, especially by those with suboptimal methyltransferase activity, are associated with increased risk of neural tube birth defects in children, hyperhomocysteinemic heart disease, and cancer in adults. Rapidly dividing (neoplastic) cells have a high folate need for DNA synthesis. Chemical analogs of folate (antifolates) that interfere with folate metabolism are used as therapeutic agents in cancer treatment. Although much is known about folate chemistry, metabolism of this vitamin in vivo in humans is not well understood. Since folate levels in blood and tissues are very low and methods to measure them are inadequate, the few previous studies that have examined folate metabolism used large doses of radiolabeled folic acid in patients with Hodgkin's disease and cancer (Butterworth et al. 1969, Krumdieck et al. 1978). A subsequent protocol using deuterated folic acid was also insufficiently sensitive to trace a physiologic folate dose (Stites et al. 1997). Accelerator mass spectrometry (AMS) is an emerging bioanalytical tool that overcomes the limitations of traditional mass spectrometry and of decay counting of long lived radioisotopes (Vogel et al. 1995). AMS can detect attomolar concentrations of 14 C in milligram-sized samples enabling in vivo radiotracer studies in healthy humans. We used AMS to study the metabolism of a physiologic 80 nmol oral dose of 14 C-folic acid (1/6 US RDA) by measuring the 14 C-folate levels in serial plasma, urine and feces samples taken over a 150-day period after dosing a healthy adult volunteer.

  14. Paper-Based Electrochemical Cell Coupled to Mass Spectrometry

    Science.gov (United States)

    Liu, Yao-Min; Perry, Richard H.

    2015-08-01

    On-line coupling of electrochemistry (EC) to mass spectrometry (MS) is a powerful approach for identifying intermediates and products of EC reactions in situ. In addition, EC transformations have been used to increase ionization efficiency and derivatize analytes prior to MS, improving sensitivity and chemical specificity. Recently, there has been significant interest in developing paper-based electroanalytical devices as they offer convenience, low cost, versatility, and simplicity. This report describes the development of tubular and planar paper-based electrochemical cells (P-EC) coupled to sonic spray ionization (SSI) mass spectrometry (P-EC/SSI-MS). The EC cells are composed of paper sandwiched between two mesh stainless steel electrodes. Analytes and reagents can be added directly to the paper substrate along with electrolyte, or delivered via the SSI microdroplet spray. The EC cells are decoupled from the SSI source, allowing independent control of electrical and chemical parameters. We utilized P-EC/SSI-MS to characterize various EC reactions such as oxidations of cysteine, dopamine, polycyclic aromatic hydrocarbons, and diphenyl sulfide. Our results show that P-EC/SSI-MS has the ability to increase ionization efficiency, to perform online EC transformations, and to capture intermediates of EC reactions with a response time on the order of hundreds of milliseconds. The short response time allowed detection of a deprotonated diphenyl sulfide intermediate, which experimentally confirms a previously proposed mechanism for EC oxidation of diphenyl sulfide to pseudodimer sulfonium ion. This report introduces paper-based EC/MS via development of two device configurations (tubular and planar electrodes), as well as discusses the capabilities, performance, and limitations of the technique.

  15. Dynamically multiplexed ion mobility time-of-flight mass spectrometry.

    Science.gov (United States)

    Belov, Mikhail E; Clowers, Brian H; Prior, David C; Danielson, William F; Liyu, Andrei V; Petritis, Brianne O; Smith, Richard D

    2008-08-01

    Ion mobility spectrometry-time-of-flight mass spectrometry (IMS-TOFMS) has been increasingly used in analysis of complex biological samples. A major challenge is to transform IMS-TOFMS to a high-sensitivity, high-throughput platform, for example, for proteomics applications. In this work, we have developed and integrated three advanced technologies, including efficient ion accumulation in an ion funnel trap prior to IMS separation, multiplexing (MP) of ion packet introduction into the IMS drift tube, and signal detection with an analog-to-digital converter, into the IMS-TOFMS system for the high-throughput analysis of highly complex proteolytic digests of, for example, blood plasma. To better address variable sample complexity, we have developed and rigorously evaluated a novel dynamic MP approach that ensures correlation of the analyzer performance with an ion source function and provides the improved dynamic range and sensitivity throughout the experiment. The MP IMS-TOFMS instrument has been shown to reliably detect peptides at a concentration of 1 nM in the presence of a highly complex matrix, as well as to provide a 3 orders of magnitude dynamic range and a mass measurement accuracy of better than 5 ppm. When matched against human blood plasma database, the detected IMS-TOF features were found to yield approximately 700 unique peptide identifications at a false discovery rate (FDR) of approximately 7.5%. Accounting for IMS information gave rise to a projected FDR of approximately 4%. Signal reproducibility was found to be greater than 80%, while the variations in the number of unique peptide identifications were <15%. A single sample analysis was completed in 15 min that constitutes almost 1 order of magnitude improvement compared to a more conventional LC-MS approach. PMID:18582088

  16. Human folate metabolism using 14C-accelerator mass spectrometry

    International Nuclear Information System (INIS)

    Folate is a water soluble vitamin required for optimal health, growth and development. It occurs naturally in various states of oxidation of the pteridine ring and with varying lengths to its glutamate chain. Folates function as one-carbon donors through methyl transferase catalyzed reactions. Low-folate diets, especially by those with suboptimal methyltransferase activity, are associated with increased risk of neural tube birth defects in children, hyperhomocysteinemic heart disease, and cancer in adults. Rapidly dividing (neoplastic) cells have a high folate need for DNA synthesis. Chemical analogs of folate (antifolates) that interfere with folate metabolism are used as therapeutic agents in cancer treatment. Although much is known about folate chemistry, metabolism of this vitamin in vivo in humans is not well understood. Since folate levels in blood and tissues are very low and methods to measure them are inadequate, the few previous studies that have examined folate metabolism used large doses of radiolabeled folic acid in patients with Hodgkins disease and cancer (Butterworth et al. 1969, Krumdieck et al. 1978). A subsequent protocol using deuterated folic acid was also insufficiently sensitive to trace a physiologic folate dose (Stites et al. 1997). Accelerator mass spectrometry (AMS) is an emerging bioanalytical tool that overcomes the limitations of traditional mass spectrometry and of decay counting of long lived radioisotopes (Vogel et al. 1995). AMS can detect attomolar concentrations of 14 C in milligram-sized samples enabling in vivo radiotracer studies in healthy humans. We used AMS to study the metabolism of a physiologic 80 nmol oral dose of 14 C-folic acid (1/6 US RDA) by measuring the 14 C-folate levels in serial plasma, urine and feces samples taken over a 150-day period after dosing a healthy adult volunteer

  17. Microbial proteomics: a mass spectrometry primer for biologists

    Directory of Open Access Journals (Sweden)

    Graham Ciaren

    2007-08-01

    Full Text Available Abstract It is now more than 10 years since the publication of the first microbial genome sequence and science is now moving towards a post genomic era with transcriptomics and proteomics offering insights into cellular processes and function. The ability to assess the entire protein network of a cell at a given spatial or temporal point will have a profound effect upon microbial science as the function of proteins is inextricably linked to phenotype. Whilst such a situation is still beyond current technologies rapid advances in mass spectrometry, bioinformatics and protein separation technologies have produced a step change in our current proteomic capabilities. Subsequently a small, but steadily growing, number of groups are taking advantage of this cutting edge technology to discover more about the physiology and metabolism of microorganisms. From this research it will be possible to move towards a systems biology understanding of a microorganism. Where upon researchers can build a comprehensive cellular map for each microorganism that links an accurately annotated genome sequence to gene expression data, at a transcriptomic and proteomic level. In order for microbiologists to embrace the potential that proteomics offers, an understanding of a variety of analytical tools is required. The aim of this review is to provide a basic overview of mass spectrometry (MS and its application to protein identification. In addition we will describe how the protein complexity of microbial samples can be reduced by gel-based and gel-free methodologies prior to analysis by MS. Finally in order to illustrate the power of microbial proteomics a case study of its current application within the Bacilliaceae is given together with a description of the emerging discipline of metaproteomics.

  18. Actual trends in chip electrospray ionization mass spectrometry

    International Nuclear Information System (INIS)

    Full text: Mass spectrometry (MS) has the potential to revolutionize carbohydrate research and help in understanding of how post-translational events such as glycosylation affect biomolecular activities. In the past decade, capillary nanoelectrospray (nanoESI) MS developed as an effective means in glycomics. However, the disadvantages of the method include low sample throughput, potential sample carryover, and poor reproducibility due to the variable shape of the spray tip. The recent introduction of chip-based nano and microESI in biological MS is driven by the high performance, efficiency, throughput, sensitivity and speed of analysis. The analytical potential of these assemblies were lately largely proven in proteomics, direct bioanalyses of drugs, drug development and small molecule characterization. For the MS ionization/separation of quantity-limited complex carbohydrates derived from biological matrices, our group implemented in the last few years an arsenal of novel methodologies based on microfluidics and lab-on-a-chip systems. In this study microfluidic ESI systems operating in the negative ion mode, in combination with Fourier transform ion cyclotron resonance (FTICR) at 9.4 Tesla and quadrupole time-of-flight (QTOF) tandem mass spectrometry (MS/MS) are introduced for glycolipidomic surveys in biomedical research. Two different chip ESI systems: a fully automated chip-based nanoESI robot and a thin chip microsprayer have been coupled each to both a hybrid quadrupole time-of-flight (QTOF) MS and a Fourier transform ion cyclotron resonance (FTICR) MS at 9.4 T. The feasibility of the chip MS approaches was tested for the determination of ganglioside differential expression in human brain regions and elucidation of the topospecific structures. The obtained data indicate that the high sensitivity and ionization efficiency provided at nano- and microscale level by the chip MS infusion in combination with tandem MS make this new approach ideal for studies

  19. Comparative Analysis of Mass Spectral Matching-based Compound Identification in Gas Chromatography Mass Spectrometry

    OpenAIRE

    KOO, IMHOI; Kim, Seongho; Zhang, Xiang

    2013-01-01

    Compound identification in gas chromatography–mass spectrometry (GC-MS) is usually achieved by matching query spectra to spectra present in a reference library. Although several spectral similarity measures have been developed and compared using a small reference library, it still remains unknown how the relationship between the spectral similarity measure and the size of reference library affects on the identification accuracy as well as the optimal weight factor. We used three reference lib...

  20. Confident identification of 3-nitrotyrosine modifications in mass spectral data across multiple mass spectrometry platforms

    OpenAIRE

    Li, Bensheng; Held, Jason M.; Schilling, Birgit; Danielson, Steven R.; Gibson, Bradford W.

    2011-01-01

    3-nitrotyrosine (3NT) is an oxidative posttranslational modification associated with many diseases. Determining the specific sites of this modification remains a challenge due to the low stoichiometry of 3NT modifications in biological samples. Mass spectrometry-based proteomics is a powerful tool for identifying 3NT modifications, however several reports identifying 3NT sites were later demonstrated to be incorrect, highlighting that both the accuracy and efficiency of these workflows need i...

  1. Profiling of phospholipids and related lipid structures using multidimensional ion mobility spectrometry-mass spectrometry

    Science.gov (United States)

    Trimpin, Sarah; Tan, Bo; Bohrer, Brian C.; O'Dell, David K.; Merenbloom, Samuel I.; Pazos, Mauricio X.; Clemmer, David E.; Walker, J. Michael

    2009-10-01

    Increasingly comprehensive questions related to the biosynthesis of lipids relevant to understanding new signaling pathways have created daunting tasks for their chemical analysis. Here, ion mobility spectrometry (IMS) and mass spectrometry (MS) techniques combined with electrospray ionization have been used to examine mixtures of closely related lipid structures. The drift time distributions of sphingomyelins show baseline separations for ethylene chain length differences ([Delta] ~ 1.2 ms) and partial separations in single unsaturation differences ([Delta] ~ 0.3 ms) revealing that the most compact structures are observed with shorter chains and increasing unsaturation. Drift time distributions of different ionizations frequently fall into families with the same drift times (isodrifts) indicating that the ion attached to the lipid has little structural influence. The present data show that phospholipids, especially phosphatidylinositol, aggregate to form inverted micelles. Phospholipids (phosphatidylglycerol, phosphatidylcholine, phosphatidylethanolamine, sphingomyelin, and phosphatidylinositol) are effectively separated according to their polar head groups. This method also provides information about the mixture composition of the chemically different lipids N-palmitoyl glycine, N-arachidonoyl ethanolamide, and phosphatidylcholine existing over an array of charge states and sizes (inverted micelles) depending on mixture concentration. Multidimensional IMS3-MS introduces an additional dimension to fragmentation analysis by separating the fragmented ions into groups related to size, shape and charge and allows determination of sn-1 and sn-2 substitution as is shown for phosphatidylglycerols. This contribution provides evidence for extending the targeted approach to global lipidomics analysis using the high-efficiency gas-phase separation afforded by multidimensional IMS-MS.

  2. Examining the Influence of Phosphorylation on Peptide Ion Structure by Ion Mobility Spectrometry-Mass Spectrometry

    Science.gov (United States)

    Glover, Matthew S.; Dilger, Jonathan M.; Acton, Matthew D.; Arnold, Randy J.; Radivojac, Predrag; Clemmer, David E.

    2016-02-01

    Ion mobility spectrometry-mass spectrometry (IMS-MS) techniques are used to study the general effects of phosphorylation on peptide structure. Cross sections for a library of 66 singly phosphorylated peptide ions from 33 pairs of positional isomers, and unmodified analogues were measured. Intrinsic size parameters (ISPs) derived from these measurements yield calculated collision cross sections for 85% of these phosphopeptide sequences that are within ±2.5% of experimental values. The average ISP for the phosphoryl group (0.64 ± 0.05) suggests that in general this moiety forms intramolecular interactions with the neighboring residues and peptide backbone, resulting in relatively compact structures. We assess the capability of ion mobility to separate positional isomers (i.e., peptide sequences that differ only in the location of the modification) and find that more than half of the isomeric pairs have >1% difference in collision cross section. Phosphorylation is also found to influence populations of structures that differ in the cis/trans orientation of Xaa-Pro peptide bonds. Several sequences with phosphorylated Ser or Thr residues located N-terminally adjacent to Pro residues show fewer conformations compared to the unmodified sequences.

  3. Ion Mobility Spectrometry-Hydrogen Deuterium Exchange Mass Spectrometry of Anions: Part 1. Peptides to Proteins

    Science.gov (United States)

    Donohoe, Gregory C.; Khakinejad, Mahdiar; Valentine, Stephen J.

    2015-04-01

    Ion mobility spectrometry (IMS) coupled with hydrogen deuterium exchange (HDX)-mass spectrometry (MS) has been used to study the conformations of negatively-charged peptide and protein ions. Results are presented for ion conformers of angiotensin 1, a synthetic peptide (SP), bovine insulin, ubiquitin, and equine cytochrome c. In general, the SP ion conformers demonstrate a greater level of HDX efficiency as a greater proportion of the sites undergo HDX. Additionally, these ions exhibit the fastest rates of exchange. Comparatively, the angiotensin 1 ions exhibit a lower rate of exchange and HDX level presumably because of decreased accessibility of exchange sites by charge sites. The latter are likely confined to the peptide termini. Insulin ions show dramatically reduced HDX levels and exchange rates, which can be attributed to decreased conformational flexibility resulting from the disulfide bonds. For the larger ubiquitin and protein ions, increased HDX is observed for larger ions of higher charge state. For ubiquitin, a conformational transition from compact to more elongated species (from lower to higher charge states) is reflected by an increase in HDX levels. These results can be explained by a combination of interior site protection by compact conformers as well as decreased access by charge sites. The elongated cytochrome c ions provide the largest HDX levels where higher values correlate with charge state. These results are consistent with increased exchange site accessibility by additional charge sites. The data from these enhanced IMS-HDX experiments are described in terms of charge site location, conformer rigidity, and interior site protection.

  4. Analysis of explosives using corona discharge ionization combined with ion mobility spectrometry-mass spectrometry.

    Science.gov (United States)

    Lee, Jihyeon; Park, Sehwan; Cho, Soo Gyeong; Goh, Eun Mee; Lee, Sungman; Koh, Sung-Suk; Kim, Jeongkwon

    2014-03-01

    Corona discharge ionization combined with ion mobility spectrometry-mass spectrometry (IMS-MS) was utilized to investigate five common explosives: cyclonite (RDX), trinitrotoluene (TNT), pentaerythritol tetranitrate (PETN), cyclotetramethylenetetranitramine (HMX), and 2,4-dinitrotoluene (DNT). The MS scan and the selected ion IMS analyses confirmed the identities of the existing ion species and their drift times. The ions observed were RDX·NO3(-), TNT(-), PETN·NO3(-), HMX·NO3(-), and DNT(-), with average drift times of 6.93 ms, 10.20 ms, 9.15 ms, 12.24 ms, 11.30 ms, and 8.89 ms, respectively. The reduced ion mobility values, determined from a standard curve calculated by linear regression of (normalized drift times)(-1) versus literature K0 values, were 2.09, 1.38, 1.55, 1.15, 1.25, and 1.60 cm(2) V(-1) s(-1), respectively. The detection limits were found to be 0.1 ng for RDX, 10 ng for TNT, 0.5 ng for PETN, 5.0 ng for HMX, and 10 ng for DNT. Simplified chromatograms were observed when nitrogen, as opposed to air, was used as the drift gas, but the detection limits were approximately 10 times worse (i.e., less sensitivity of detection). PMID:24468343

  5. Examining the Influence of Phosphorylation on Peptide Ion Structure by Ion Mobility Spectrometry-Mass Spectrometry.

    Science.gov (United States)

    Glover, Matthew S; Dilger, Jonathan M; Acton, Matthew D; Arnold, Randy J; Radivojac, Predrag; Clemmer, David E

    2016-05-01

    Ion mobility spectrometry-mass spectrometry (IMS-MS) techniques are used to study the general effects of phosphorylation on peptide structure. Cross sections for a library of 66 singly phosphorylated peptide ions from 33 pairs of positional isomers, and unmodified analogues were measured. Intrinsic size parameters (ISPs) derived from these measurements yield calculated collision cross sections for 85% of these phosphopeptide sequences that are within ±2.5% of experimental values. The average ISP for the phosphoryl group (0.64 ± 0.05) suggests that in general this moiety forms intramolecular interactions with the neighboring residues and peptide backbone, resulting in relatively compact structures. We assess the capability of ion mobility to separate positional isomers (i.e., peptide sequences that differ only in the location of the modification) and find that more than half of the isomeric pairs have >1% difference in collision cross section. Phosphorylation is also found to influence populations of structures that differ in the cis/trans orientation of Xaa-Pro peptide bonds. Several sequences with phosphorylated Ser or Thr residues located N-terminally adjacent to Pro residues show fewer conformations compared to the unmodified sequences. Graphical Abstract ᅟ. PMID:26860087

  6. Comparison of gas chromatography/isotope ratio mass spectrometry and liquid chromatography/isotope ratio mass spectrometry for carbon stable-isotope analysis of carbohydrates

    OpenAIRE

    Moerdijk-Poortvliet, T.C.W.; Schierbeek, H.; Houtekamer, M; Engeland, T.; D. Derrien; Stal, L.J.; Boschker, H.T.S.

    2015-01-01

    We compared gas chromatography/isotope ratio mass spectrometry (GC/IRMS) and liquid chromatography/isotope ratio mass spectrometry (LC/IRMS) for the measurement of d13C values in carbohydrates. Contrary to GC/IRMS, no derivatisation is needed for LC/IRMS analysis of carbohydrates. Hence, although LC/IRMS is expected to be more accurate and precise, no direct comparison has been reported

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

    Energy Technology Data Exchange (ETDEWEB)

    Baker, Erin Shammel [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Muddiman, David C. [North Carolina State Univ., Raleigh, NC (United States); Loo, Joseph [Univ. of California, Los Angeles, CA (United States)

    2014-10-18

    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.

  8. A new data evaluation approach for mass measurements of exotic nuclei performed with isochronous mass spectrometry

    International Nuclear Information System (INIS)

    The Isochronous Mass Spectrometry (IMS) and Schottky Mass Spectrometry (SMS) are powerful tools to measure masses of rare exotic nuclei in a storage ring. While the SMS method provides very high accuracies it does not give access to rare isotopes with lifetimes in the sub second range because beam cooling has to be performed for a few seconds before the measurements start. As a complementary method IMS can be used without beam cooling to reach isotopes with lifetimes of only a few 10 μs. As a drawback of the IMS method one cannot achieve the high mass accuracy of the SMS method until now. For the data evaluation of the SMS data a correlation matrix method has been successfully applied in the past. In order to improve the accuracy of the IMS measurements the same method will now be used, which will allow to combine and to correlate data from different IMS measurements with each other. Applying this method to the analysis of previous experiments with uranium fission fragments at the FRS-ESR facility at GSI and to future experiments, will increase the accuracy of the IMS method and may lead to new mass values with reasonable accuracies for very rare and important nuclei for nuclear astrophysics such as 130Cd, which were not accessible before.

  9. The 50th ASMS Conference on Mass Spectrometry and Allied Topics

    OpenAIRE

    Brancia, Francesco L.

    2002-01-01

    Development of new mass spectrometers and implementation of new analytical methods were the central themes of the conference. The majority of oral presentations and posters were concerned with the application of mass spectrometry to pharmaceutical and biotechnological research.

  10. Proceedings of the twelfth ISMAS triennial international conference on mass spectrometry

    International Nuclear Information System (INIS)

    These Workshops are aimed at introducing the subject of Mass Spectrometry to novices, updating the Mass Spectrometrists with the latest developments in the field, exposing the participants to innumerable applications of Mass Spectrometry and providing a common forum for discussing the day-to-day problems when working with a Mass Spectrometer. The programme of these Workshops consists of Tutorials, Panel Discussions, Research Scholars' Presentations, Poster Presentations and Invited Lectures. The lectures include fundamentals of Mass Spectrometry, qualitative and quantitative aspects and data interpretation, maintenance of Mass Spectrometers, selection of a mass spectrometer, applications in various branches of science as well as recent advances in Mass Spectrometry. Papers relevant to INIS are indexed separately

  11. Understanding ligand effects in gold clusters using mass spectrometry.

    Science.gov (United States)

    Johnson, Grant E; Laskin, Julia

    2016-06-21

    This review summarizes recent research on the influence of phosphine ligands on the size, stability, and reactivity of gold clusters synthesized in solution. Sub-nanometer clusters exhibit size- and composition-dependent properties that are unique from those of larger nanoparticles. The highly tunable properties of clusters and their high surface-to-volume ratio make them promising candidates for a variety of technological applications. However, because "each-atom-counts" toward defining cluster properties it is critically important to develop robust synthesis methods to efficiently prepare clusters of predetermined size. For decades phosphines have been known to direct the size-selected synthesis of gold clusters. Despite the preparation of numerous species it is still not understood how different functional groups at phosphine centers affect the size and properties of gold clusters. Using electrospray ionization mass spectrometry (ESI-MS) it is possible to characterize the effect of ligand substitution on the distribution of clusters formed in solution at defined reaction conditions. In addition, ligand exchange reactions on preformed clusters may be monitored using ESI-MS. Collision induced dissociation (CID) may also be employed to obtain qualitative insight into the fragmentation of mixed ligand clusters and the relative binding energies of differently substituted phosphines. Quantitative ligand binding energies and cluster stability may be determined employing surface induced dissociation (SID) in a custom-built Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR-MS). Rice-Ramsperger-Kassel-Marcus (RRKM) based modeling of the SID data allows dissociation energies and entropy values to be extracted. The charge reduction and reactivity of atomically precise gold clusters, including partially ligated species generated in the gas-phase by in source CID, on well-defined surfaces may be explored using ion soft landing (SL) in a custom

  12. Preparation of Single Cells for Imaging Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Berman, E S; Fortson, S L; Kulp, K S; Checchi, K D; Wu, L; Felton, J S; Wu, K J

    2007-10-24

    Characterizing chemical changes within single cells is important for determining fundamental mechanisms of biological processes that will lead to new biological insights and improved disease understanding. Imaging biological systems with mass spectrometry (MS) has gained popularity in recent years as a method for creating precise chemical maps of biological samples. In order to obtain high-quality mass spectral images that provide relevant molecular information about individual cells, samples must be prepared so that salts and other cell-culture components are removed from the cell surface and the cell contents are rendered accessible to the desorption beam. We have designed a cellular preparation protocol for imaging MS that preserves the cellular contents for investigation and removes the majority of the interfering species from the extracellular matrix. Using this method, we obtain excellent imaging results and reproducibility in three diverse cell types: MCF7 human breast cancer cells, Madin-Darby canine kidney (MDCK) cells, and NIH/3T3 mouse fibroblasts. This preparation technique allows routine imaging MS analysis of cultured cells, allowing for any number of experiments aimed at furthering scientific understanding of molecular processes within individual cells.

  13. Issues and Applications in Label-Free Quantitative Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    Xianyin Lai

    2013-01-01

    Full Text Available To address the challenges associated with differential expression proteomics, label-free mass spectrometric protein quantification methods have been developed as alternatives to array-based, gel-based, and stable isotope tag or label-based approaches. In this paper, we focus on the issues associated with label-free methods that rely on quantitation based on peptide ion peak area measurement. These issues include chromatographic alignment, peptide qualification for quantitation, and normalization. In addressing these issues, we present various approaches, assembled in a recently developed label-free quantitative mass spectrometry platform, that overcome these difficulties and enable comprehensive, accurate, and reproducible protein quantitation in highly complex protein mixtures from experiments with many sample groups. As examples of the utility of this approach, we present a variety of cases where the platform was applied successfully to assess differential protein expression or abundance in body fluids, in vitro nanotoxicology models, tissue proteomics in genetic knock-in mice, and cell membrane proteomics.

  14. Honey protein extraction and determination by mass spectrometry.

    Science.gov (United States)

    Chua, Lee Suan; Lee, Jun You; Chan, Giek Far

    2013-04-01

    There are relatively limited studies on the protein of honey samples mainly because of the low amount of protein in honey (0.1-0.5 %), the difficulty in extracting honey protein from the sugar-rich environment, and the hindrance of protein characterization by conventional approaches. Several protein extraction methods such as mechanical (ultrafiltration and ultracentrifugation) and chemical (precipitation) techniques have been applied to different types of honey samples. Most of these studies reported the quantity and molecular size of honey protein from gel electrophoresis, but were unable to identify and characterize the protein. This limitation might be due to the low capacity of analytical equipment in those days. Although different precipitants have also been used, not all them are compatible with mass spectrometric methods during downstream analysis. As a result, the sample preparation step is essential in order to confidently characterize the low and varied amount of honey protein. Nowadays, honey protein is getting attention from researchers because of its potential activity in pharmacological applications. Therefore, honey protein extraction and determination by mass spectrometry are critically reviewed in order to stimulate further honey protein research. PMID:23292042

  15. Analysis of organosulfur compounds in produced waters using mass spectrometry

    International Nuclear Information System (INIS)

    Produced water is a complex waste effluent generated during offshore oil production. The recent efforts are aimed at providing information that can be used to assess the effects of produced water discharges into the coastal environment near Gaviota, California. Analysis of dichloromethane extracts of produced water samples revealed that a series of polar organosulfur compounds of intermediate polarity are abundant constituents. A suite of mass spectrometric techniques including electron ionization, chemical ionization, high resolution mass spectrometry, and MS/MS are being used for chemical characterization. These chemicals are present in far greater concentrations than petroleum hydrocarbons in the same waste stream, but the environmental importance and the origins of these compounds remain unclear. Studies are underway using model compounds to test the hypothesis that they arise from reactions of abundant sulfides with other organic compounds. Assessment of the distribution of produced water constituents near the discharge outfall is being performed by sampling seawater, mussels, and sediment at two depths at three sites in the vicinity of the outfall. The authors have developed analytical protocols for determination of organosulfur constituents in each of these matrices. Simultaneous analysis of lipid profiles from the mussels can be carried out without modification of the analytical procedures

  16. Determination of hydrogen in steel by thermal desorption mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Bergers, K.; Thomas, I.; Flock, J. [ThyssenKrupp Steel Europe AG, Duisburg (Germany); Camisao de Souza, E. [Physical Chemistry and Radiochemistry, University of Applied Sciences Mannheim (Germany); Mabho, N. [Instrumental Analytical Chemistry, University of Duisburg-Essen, Duisburg (Germany)

    2010-07-15

    Hydrogen embrittlement has been observed since high-strength steels have been produced in the nineteen thirties 1,2. Several different analytical methods have been developed to quantify the total and diffusible hydrogen in steel, but many aspects of hydrogen determination are still to be explored. Purely quantitative determination of hydrogen is not sufficient to fully characterize the steel regarding its resistance against embrittlement. Thermal Desorption Mass Spectrometry (TDMS) allows the investigation of hydrogen absorption and desorption mechanisms to characterize hydrogen traps in different kinds of steel microstructures. This provides valuable information for the development of new materials with a higher resistance against hydrogen embrittlement. Additionally, TDMS allows the quantitative determination of very small concentrations of hydrogen (<0.1 {mu}g/g). Such low detection limits cannot be reached with other methods. Due to time-consuming analysis and a rather complex construction, TDMS is usually not applied for hydrogen determination in German steel mills. The present work describes the development of a thermal desorption spectrometer at ThyssenKrupp Steel Europe AG by adapting a compact quadrupole mass spectrometer to a commercially available hot solid extraction analyzer, which has proven to be a simple and efficient solution for the determination of diffusible hydrogen in steel. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  17. The Evolving Contribution of Mass Spectrometry to Integrative Structural Biology

    Science.gov (United States)

    Faini, Marco; Stengel, Florian; Aebersold, Ruedi

    2016-04-01

    Protein complexes are key catalysts and regulators for the majority of cellular processes. Unveiling their assembly and structure is essential to understanding their function and mechanism of action. Although conventional structural techniques such as X-ray crystallography and NMR have solved the structure of important protein complexes, they cannot consistently deal with dynamic and heterogeneous assemblies, limiting their applications to small scale experiments. A novel methodological paradigm, integrative structural biology, aims at overcoming such limitations by combining complementary data sources into a comprehensive structural model. Recent applications have shown that a range of mass spectrometry (MS) techniques are able to generate interaction and spatial restraints (cross-linking MS) information on native complexes or to study the stoichiometry and connectivity of entire assemblies (native MS) rapidly, reliably, and from small amounts of substrate. Although these techniques by themselves do not solve structures, they do provide invaluable structural information and are thus ideally suited to contribute to integrative modeling efforts. The group of Brian Chait has made seminal contributions in the use of mass spectrometric techniques to study protein complexes. In this perspective, we honor the contributions of the Chait group and discuss concepts and milestones of integrative structural biology. We also review recent examples of integration of structural MS techniques with an emphasis on cross-linking MS. We then speculate on future MS applications that would unravel the dynamic nature of protein complexes upon diverse cellular states.

  18. Various complexity results for computational mass spectrometry problems

    CERN Document Server

    Böcker, Francois Nicolas Sebastian

    2011-01-01

    Define Minimum \\pbsul{} (MinSU) as the following optimization problem: given a $k$-tuple $(X_1, X_2,..., X_k)$ of finite integer sets, find a $k$-tuple $(t_1, t_2,..., t_k)$ of integers that minimizes the cardinality of $(X_1 + t_1) \\cup (X_2 + t_2) \\cup...\\cup (X_n + t_k)$. We show that MinSU is NP-complete, APX-hard, and polynomial for fixed $k$. MinSU appears naturally in the context of protein shotgun sequencing: Here, the protein is cleaved into short and overlapping peptides, which are then analyzed by tandem mass spectrometry. To improve the quality of such spectra, one then asks for the mass of the unknown prefix (the shift) of the spectrum, such that the resulting shifted spectra show a maximum agreement. For real-world data the problem is even more complicated than our definition of MinSU; but our intractability results clearly indicate that it is unlikely to find a polynomial time algorithm for shotgun protein sequencing.

  19. Inductively coupled plasma mass spectrometry (ICP-MS)

    International Nuclear Information System (INIS)

    The period of investigation for the previous general remarks on the progress of ICP-MS was from January, 1991 to September, 1993. In the investigation of this time, for the object of the Chemical Abstracts from January, 1994 to September, 1996, retrieval was carried out by using the STN International. As the key words, ICP-MS, Inductively Coupled Plasma Mass Spectrometry or Inductively Coupled Plasma Mass Spectrometer was used. The number of hit was 373 in 1994, 462 in 1995, and 356 as of September, 1996, 1191 in total. The cumulative number of the papers from 1980 to 1996 is shown. It is known how rapidly the ICP-MS has pervaded as the means of analysis. In order to cope with the enormous number of papers, this time, it was decided to do the review by limiting to the papers which were published in the main journals deeply related to analytical chemistry. As to the tendency in the last three years, it is summarized as how to overcome the spectrum interference and matrix effect in the ICP-MS and the trend of using the ICP-MS as the high sensitivity detector for separation techniques. The technical basic research of the ICP-MS on spectrum interference, sample introduction method and others and the analysis of living body samples are reported. (K.I.)

  20. The Evolving Contribution of Mass Spectrometry to Integrative Structural Biology

    Science.gov (United States)

    Faini, Marco; Stengel, Florian; Aebersold, Ruedi

    2016-06-01

    Protein complexes are key catalysts and regulators for the majority of cellular processes. Unveiling their assembly and structure is essential to understanding their function and mechanism of action. Although conventional structural techniques such as X-ray crystallography and NMR have solved the structure of important protein complexes, they cannot consistently deal with dynamic and heterogeneous assemblies, limiting their applications to small scale experiments. A novel methodological paradigm, integrative structural biology, aims at overcoming such limitations by combining complementary data sources into a comprehensive structural model. Recent applications have shown that a range of mass spectrometry (MS) techniques are able to generate interaction and spatial restraints (cross-linking MS) information on native complexes or to study the stoichiometry and connectivity of entire assemblies (native MS) rapidly, reliably, and from small amounts of substrate. Although these techniques by themselves do not solve structures, they do provide invaluable structural information and are thus ideally suited to contribute to integrative modeling efforts. The group of Brian Chait has made seminal contributions in the use of mass spectrometric techniques to study protein complexes. In this perspective, we honor the contributions of the Chait group and discuss concepts and milestones of integrative structural biology. We also review recent examples of integration of structural MS techniques with an emphasis on cross-linking MS. We then speculate on future MS applications that would unravel the dynamic nature of protein complexes upon diverse cellular states.

  1. Multidimensional chromatography coupled to mass spectrometry in analysing complex proteomics samples

    NARCIS (Netherlands)

    Horvatovich, Peter; Hoekman, Berend; Govorukhina, Natalia; Bischoff, Rainer

    2010-01-01

    Multidimensional chromatography coupled to mass spectrometry (LC(n)-MS) provides more separation power and an extended measured dynamic concentration range to analyse complex proteomics samples than one dimensional liquid chromatography coupled to mass spectrometry (1D-LC-MS). This review gives an o

  2. Getting to the core of protein pharmaceuticals – comprehensive structure analysis by mass spectrometry

    DEFF Research Database (Denmark)

    Leurs, Ulrike; Mistarz, Ulrik Hvid; Rand, Kasper Dyrberg

    2015-01-01

    . Mass spectrometry has evolved as a powerful tool for the characterization of both primary and higher order structures of protein pharmaceuticals. Furthermore, the chemical and physical stability of protein drugs, as well as their pharmacokinetics are nowadays routinely determined by mass spectrometry...

  3. Identification of Hypoxia-Regulated Proteins Using MALDI-Mass Spectrometry Imaging Combined with Quantitative Proteomics

    DEFF Research Database (Denmark)

    Djidja, Marie-Claude; Chang, Joan; Hadjiprocopis, Andreas;

    2014-01-01

    quantitative proteomics combined with MALDI-mass spectrometry imaging (MALDI-MSI). Here we present a comprehensive hypoxic proteome study and are the first to investigate changes in situ using tumor samples. In vitro quantitative mass spectrometry analysis of the hypoxic proteome was performed on breast cancer...

  4. Whole Bodies Mass Spectrometry Imaging of Cuticular Lipids on Drosophila melanogaster Flies

    Czech Academy of Sciences Publication Activity Database

    Kaftan, Filip; Vrkoslav, Vladimír; Cvačka, Josef; Kynast, P.; Knaden, M.; Svatoš, Aleš

    Poznaň: Scientific Publishers OWN, 2012. s. 131-131. ISBN 978-83-7712-064-4. [Joint Conference of Polish Mass Spectrometry Society and German Mass Spectrometry Society. 04.03.2012-07.03.2012, Poznaň] Institutional support: RVO:61388963 Keywords : Drosophila melanogaster * MALDI imaging * lipids Subject RIV: CC - Organic Chemistry

  5. Direct imaging of plant metabolites in leaves and petals by Desorption Electrospray Ionization mass spectrometry

    DEFF Research Database (Denmark)

    Li, Bin; Hansen, Steen Honore'; Janfelt, Christian

    2013-01-01

    Publication date: Available online 24 April 2013 Source:International Journal of Mass Spectrometry Author(s): Bin Li , Steen Honoré Hansen , Christian Janfelt Two different approaches to direct imaging of plant material with desorption electrospray ionization (DESI) mass spectrometry are presented...

  6. Desorption atmospheric pressure photoionization-high resolution mass spectrometry fingerprinting of urinary steroids during pregnancy

    Czech Academy of Sciences Publication Activity Database

    Vaikkinen, A.; Kauppila, T. J.; Cvačka, Josef; Kostiainen, R.

    Baltimore: -, 2014. s. 401. [ASMS Conference on Mass Spectrometry and Allied Topics /62./. 15.06.2014-19.06.2014, Baltimore] Grant ostatní: GA AV ČR(CZ) M200551204 Institutional support: RVO:61388963 Keywords : urine * steroids * mass spectrometry Subject RIV: CB - Analytical Chemistry, Separation

  7. Quantitation of Acrylamide in Foods by High-Resolution Mass Spectrometry

    NARCIS (Netherlands)

    Troise, A.D.; Fogliano, Vincenzo

    2016-01-01

    The use of liquid chromatography high-resolution mass spectrometry (LC-HRMS) and direct analysis real-time high-resolution mass spectrometry (DART-HRMS) defines a new scenario in the analysis of thermal-induced toxicants, such as acrylamide. Several factors contribute to the definition of the com

  8. Simulation of Two Dimensional Electrophoresis and Tandem Mass Spectrometry for Teaching Proteomics

    Science.gov (United States)

    Fisher, Amanda; Sekera, Emily; Payne, Jill; Craig, Paul

    2012-01-01

    In proteomics, complex mixtures of proteins are separated (usually by chromatography or electrophoresis) and identified by mass spectrometry. We have created 2DE Tandem MS, a computer program designed for use in the biochemistry, proteomics, or bioinformatics classroom. It contains two simulations--2D electrophoresis and tandem mass spectrometry.…

  9. Electrospray Ionization Ion Mobility Mass Spectrometry of Human Brain Gangliosides.

    Science.gov (United States)

    Sarbu, Mirela; Robu, Adrian C; Ghiulai, Roxana M; Vukelić, Željka; Clemmer, David E; Zamfir, Alina D

    2016-05-17

    The progress of ion mobility spectrometry (IMS), together with its association to mass spectrometry (MS), opened new directions for the identification of various metabolites in complex biological matrices. However, glycolipidomics of the human brain by IMS MS represents an area untouched up to now, because of the difficulties encountered in brain sampling, analyte extraction, and IMS MS method optimization. In this study, IMS MS was introduced in human brain ganglioside (GG) research. The efficiency of the method in clinical glycolipidomics was demonstrated on a highly complex mixture extracted from a normal fetal frontal lobe (FL37). Using this approach, a remarkably rich molecular ion pattern was discovered, which proved the presence of a large number of glycoforms and an unpredicted diversity of the ceramide chains. Moreover, the results showed for the first time the occurrence of GGs in the human brain with a much higher degree of sialylation than previously reported. Using IMS MS, the entire series starting from mono- up to octasialylated GGs was detected in FL37. These findings substantiate early clinical reports on the direct correlation between GG sialylation degree and brain developmental stage. Using IMS CID MS/MS, applied here for the first time to gangliosides, a novel, tetrasialylated O-GalNAc modified species with a potential biomarker role in brain development was structurally characterized. Under variable collision energy, a high number of sequence ions was generated for the investigated GalNAc-GQ1(d18:1/18:0) species. Several fragment ions documented the presence of the tetrasialo element attached to the inner Gal, indicating that GalNAc-GQ1(d18:1/18:0) belongs to the d series. PMID:27088833

  10. Mass Spectrometry-Based Biomarker Discovery: Toward a Global Proteome Index of Individuality

    Science.gov (United States)

    Hawkridge, Adam M.; Muddiman, David C.

    2009-07-01

    Biomarker discovery and proteomics have become synonymous with mass spectrometry in recent years. Although this conflation is an injustice to the many essential biomolecular techniques widely used in biomarker-discovery platforms, it underscores the power and potential of contemporary mass spectrometry. Numerous novel and powerful technologies have been developed around mass spectrometry, proteomics, and biomarker discovery over the past 20 years to globally study complex proteomes (e.g., plasma). However, very few large-scale longitudinal studies have been carried out using these platforms to establish the analytical variability relative to true biological variability. The purpose of this review is not to cover exhaustively the applications of mass spectrometry to biomarker discovery, but rather to discuss the analytical methods and strategies that have been developed for mass spectrometry-based biomarker-discovery platforms and to place them in the context of the many challenges and opportunities yet to be addressed.

  11. Field Sample Preparation Method Development for Isotope Ratio Mass Spectrometry

    International Nuclear Information System (INIS)

    Non-proliferation and International Security (NA-241) established a working group of researchers from Los Alamos National Laboratory (LANL), Pacific Northwest National Laboratory (PNNL) and Savannah River National Laboratory (SRNL) to evaluate the utilization of in-field mass spectrometry for safeguards applications. The survey of commercial off-the-shelf (COTS) mass spectrometers (MS) revealed no instrumentation existed capable of meeting all the potential safeguards requirements for performance, portability, and ease of use. Additionally, fieldable instruments are unlikely to meet the International Target Values (ITVs) for accuracy and precision for isotope ratio measurements achieved with laboratory methods. The major gaps identified for in-field actinide isotope ratio analysis were in the areas of: 1. sample preparation and/or sample introduction, 2. size reduction of mass analyzers and ionization sources, 3. system automation, and 4. decreased system cost. Development work in 2 through 4, numerated above continues, in the private and public sector. LANL is focusing on developing sample preparation/sample introduction methods for use with the different sample types anticipated for safeguard applications. Addressing sample handling and sample preparation methods for MS analysis will enable use of new MS instrumentation as it becomes commercially available. As one example, we have developed a rapid, sample preparation method for dissolution of uranium and plutonium oxides using ammonium bifluoride (ABF). ABF is a significantly safer and faster alternative to digestion with boiling combinations of highly concentrated mineral acids. Actinides digested with ABF yield fluorides, which can then be analyzed directly or chemically converted and separated using established column chromatography techniques as needed prior to isotope analysis. The reagent volumes and the sample processing steps associated with ABF sample digestion lend themselves to automation and field

  12. Ion Mobility Mass Spectrometry Direct Isotope Abundance Analysis

    International Nuclear Information System (INIS)

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

  13. Ion Mobility Mass Spectrometry Direct Isotope Abundance Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Manuel J. Manard, Stephan Weeks, Kevin Kyle

    2010-05-27

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

  14. Ambient Mass Spectrometry Imaging Using Direct Liquid Extraction Techniques

    Energy Technology Data Exchange (ETDEWEB)

    Laskin, Julia; Lanekoff, Ingela

    2015-11-13

    Mass spectrometry imaging (MSI) is a powerful analytical technique that enables label-free spatial localization and identification of molecules in complex samples.1-4 MSI applications range from forensics5 to clinical research6 and from understanding microbial communication7-8 to imaging biomolecules in tissues.1, 9-10 Recently, MSI protocols have been reviewed.11 Ambient ionization techniques enable direct analysis of complex samples under atmospheric pressure without special sample pretreatment.3, 12-16 In fact, in ambient ionization mass spectrometry, sample processing (e.g., extraction, dilution, preconcentration, or desorption) occurs during the analysis.17 This substantially speeds up analysis and eliminates any possible effects of sample preparation on the localization of molecules in the sample.3, 8, 12-14, 18-20 Venter and co-workers have classified ambient ionization techniques into three major categories based on the sample processing steps involved: 1) liquid extraction techniques, in which analyte molecules are removed from the sample and extracted into a solvent prior to ionization; 2) desorption techniques capable of generating free ions directly from substrates; and 3) desorption techniques that produce larger particles subsequently captured by an electrospray plume and ionized.17 This review focuses on localized analysis and ambient imaging of complex samples using a subset of ambient ionization methods broadly defined as “liquid extraction techniques” based on the classification introduced by Venter and co-workers.17 Specifically, we include techniques where analyte molecules are desorbed from solid or liquid samples using charged droplet bombardment, liquid extraction, physisorption, chemisorption, mechanical force, laser ablation, or laser capture microdissection. Analyte extraction is followed by soft ionization that generates ions corresponding to intact species. Some of the key advantages of liquid extraction techniques include the ease

  15. Improved Actinide Neutron Capture Cross Sections Using Accelerator Mass Spectrometry

    Science.gov (United States)

    Bauder, W.; Pardo, R. C.; Kondev, F. G.; Kondrashev, S.; Nair, C.; Nusair, O.; Palchan, T.; Scott, R.; Seweryniak, D.; Vondrasek, R.; Collon, P.; Paul, M.; Youinou, G.; Salvatores, M.; Palmotti, G.; Berg, J.; Maddock, T.; Imel, G.

    2014-09-01

    The MANTRA (Measurement of Actinide Neutron TRAnsmutations) project will improve energy-integrated neutron capture cross section data across the actinide region. These data are incorporated into nuclear reactor models and are an important piece in understanding Generation IV reactor designs. We will infer the capture cross sections by measuring isotopic ratios from actinide samples, irradiated in the Advanced Test Reactor at INL, with Accelerator Mass Spectrometry (AMS) at ATLAS (ANL). The superior sensitivity of AMS allows us to extract multiple cross sections from a single sample. In order to analyze the large number of samples needed for MANTRA and to meet the goal of extracting multiple cross sections per sample, we have made a number of modifications to the AMS setup at ATLAS. In particular, we are developing a technique to inject solid material into the ECR with laser ablation. With laser ablation, we can better control material injection and potentially increase efficiency in the ECR, thus creating less contamination in the source and reducing cross talk. I will present work on the laser ablation system and preliminary results from our AMS measurements. The MANTRA (Measurement of Actinide Neutron TRAnsmutations) project will improve energy-integrated neutron capture cross section data across the actinide region. These data are incorporated into nuclear reactor models and are an important piece in understanding Generation IV reactor designs. We will infer the capture cross sections by measuring isotopic ratios from actinide samples, irradiated in the Advanced Test Reactor at INL, with Accelerator Mass Spectrometry (AMS) at ATLAS (ANL). The superior sensitivity of AMS allows us to extract multiple cross sections from a single sample. In order to analyze the large number of samples needed for MANTRA and to meet the goal of extracting multiple cross sections per sample, we have made a number of modifications to the AMS setup at ATLAS. In particular, we are

  16. Transition of Iodine Analysis to Accelerator Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-09-01

    This NA 22 funded research project investigated the transition of iodine isotopic analyses from thermal ionization mass spectrometry (TIMS) to an accelerator mass spectrometry (AMS) system. Previous work (Fiscal Year 2010) had demonstrated comparable data from TIMS and AMS. With AMS providing comparable data with improved background levels and vastly superior sample throughput, improvement in the sample extraction from environmental sample matrices was needed to bring sample preparation throughput closer to the operation level of the instrument. Previous research used an extraction chemistry that was not optimized for yield or refined for reduced labor to prove the principle. This research was done to find an extraction with better yield using less labor per sample to produce a sample ready for the AMS instrument. An extraction method using tetramethyl ammonium hydroxide (TMAH) was developed for removal of iodine species from high volume air filters. The TMAH with gentle heating was superior to the following three extraction methods: ammonium hydroxide aided by sonication, acidic and basic extraction aided by microwave, and ethanol mixed with sodium hydroxide. Taking the iodine from the extraction solvent to being ready for AMS analysis was accomplished by a direct precipitation, as well as, using silver wool to harvest the iodine from the TMAH. Portions of the same filters processed in FY 2010 were processed again with the improved extraction scheme followed by successful analysis by AMS at the Swiss Federal Institute of Technology. The data favorably matched the data obtained in 2010. The time required for analysis has been reduced over the aqueous extraction/AMS approach developed in FY 2010. For a hypothetical batch of 30 samples, the AMS methodology is about 10 times faster than the traditional gas phase chemistry and TIMS analysis. As an additional benefit, background levels for the AMS method are about 1000 times lower than TIMS. This results from the

  17. Radio-tracing 'without' radioactivity: accelerator mass spectrometry in biomedicine

    International Nuclear Information System (INIS)

    Accelerator mass spectrometry (AMS) is a form of isotope-ratio mass spectrometry that quantifies concentrations of certain long-lived radioisotopes independently of their radioactive decay. AMS is primarily used in the geosciences for determining the age of a material that contains naturally occurring radioisotopes. AMS uses the same high specificity for enriched levels of these radioisotopes in tracing low chemical doses for long periods in biological systems, including humans. AMS provides the safety of low radiative exposure to experimental subjects and investigators, while obtaining attomole sensitivities that are not possible with stable isotope tracers because of their natural isotopic abundances. AMS isotope tracing was first applied to quantifying the genotoxicity of low level environmental chemicals in animals and later in humans. Physiologic concentrations of 14C-labeled trace nutrients (folate, carotene, and tocopherol) are now measured directly in humans without concern about radiation. The radiative exposure is less than the commonly accepted risks of natural background radiation or the radiation fields found in high altitude air flights. AMS measures very small biological samples (such as 20 microliters of blood) that are easily obtained from human volunteers or model animals at frequent intervals for detailed analysis of kinetic profiles. This high data density enables the construction of compartmental models that elucidate nutrient behavior in tissues that cannot be directly sampled. The pharmaceutical industry is enthusiastic about AMS as a detector for 'micro-dosing' in which the human kinetics of an assuredly non-toxic dose of a candidate drug is tested early in a development project. Molecular tracing uses 3H or 14C as common isotopic labels, but AMS contributes to elemental tracing with certain radioisotopes having very long lives, such as 26AL or 41Ca. Calcium-41 is a particularly useful isotope in biomedical research because it is used to

  18. Ambient mass spectrometry with a handheld mass spectrometer at high pressure.

    Science.gov (United States)

    Keil, Adam; Talaty, Nari; Janfelt, Christian; Noll, Robert J; Gao, Liang; Ouyang, Zheng; Cooks, R Graham

    2007-10-15

    The first coupling of atmospheric pressure ionization methods, electrospray ionization (ESI) and desorption electrospray ionization (DESI), to a miniature hand-held mass spectrometer is reported. The instrument employs a rectilinear ion trap (RIT) mass analyzer and is battery-operated, hand-portable, and rugged (total system: 10 kg, 0.014 m(3), 75 W power consumption). The mass spectrometer was fitted with an atmospheric inlet, consisting of a 10 cm x 127 microm inner diameter stainless steel capillary tube which was used to introduce gas into the vacuum chamber at 13 mL/min. The operating pressure was 15 mTorr. Ions, generated by the atmospheric pressure ion source, were directed by the inlet along the axis of the ion trap, entering through an aperture in the dc-biased end plate, which was also operated as an ion gate. ESI and DESI sources were used to generate ions; ESI-MS analysis of an aqueous mixture of drugs yielded detection limits in the low parts-per-billion range. Signal response was linear over more than 3 orders of magnitude. Tandem mass spectrometry experiments were used to identify components of this mixture. ESI was also applied to the analysis of peptides and in this case multiply charged species were observed for compounds of molecular weight up to 1200 Da. Cocaine samples deposited or already present on different surfaces, including currency, were rapidly analyzed in situ by DESI. A geometry-independent version of the DESI ion source was also coupled to the miniature mass spectrometer. These results demonstrate that atmospheric pressure ionization can be implemented on simple portable mass spectrometry systems. PMID:17867653

  19. Dispersion of bioaerosols from composting facilities.

    OpenAIRE

    Drew, Gillian H; Tamer Vestlund, Asli; Taha, M. P. M.; Smith, Richard; Longhurst, Philip J.; Kinnersley, R.; Pollard, Simon J. T.

    2006-01-01

    The promotion of composting as an option for sustainable waste management has raised concerns regarding public health impacts of exposures to potentially hazardous bioaerosols. Recent source term experiments show that bioaerosol emissions are episodic and that peak emissions are related to compost agitation. The Environment Agency requires risk assessments for facilities that have sensitive receptors within 250m of their boundary. In order to improve current risk assessment ...

  20. Exploiting flow injection and sequential injection for trace metal determinations in conjunction with detection by electrothermal atomic absorption spectrometry and inductively coupled plasma mass spectrometry

    DEFF Research Database (Denmark)

    Hansen, Elo Harald

    Despite their excellent analytical chemical capacities, Electrothermal Atomic Absorption Spectrometry (ETAAS) and Inductively Coupled Plasma Mass Spectrometry (ICPMS), nevertheless, often require suitable pretreatment of the sample material in order to obtain the necessary sensitivity and...

  1. HCN Polymers: Toward Structure Comprehension Using High Resolution Mass Spectrometry

    Science.gov (United States)

    Bonnet, Jean-Yves; Thissen, Roland; Frisari, Ma; Vuitton, Veronique; Quirico, Eric; Le Roy, Léna; Fray, Nicolas; Cottin, Hervé; Horst, Sarah; Yelle, Roger

    A lot of solar system materials, including cometary ices and Titan aerosols, contain dark matter that can be interpreted as complex nitrogen bearing organic matter [1]. In laboratory experi-ments, HCN polymers are thus analogs of great interest. In fact they may be present in Titan atmosphere and in comet nuclei and then reprocessed as a CN distributed source [2], when ices began to sublimate and ejects from the nucleus organic matter grains [3]. The presence of HCN polymers is suggested because HCN molecule has been directly observed in 1P/Halley comet [4] and others. HCN polymers are also of prebiotic interest [5] as it can form amino acid under hydrolysis conditions. Even if they have been studied during the last decades, their chemical composition and structure are still poorly understood, and a great analytical effort has to be continued. In this way we present a high resolution mass spectrometry (HRMS) and a high resolution tandem mass spectrometry (MS/HRMS) analysis of HCN polymers. It was shown [6] that this is a suitable technique to elucidate composition and structure of the soluble part of tholins analogs of Titan's atmosphere aerosols. HCN polymers have never been studied by HRMS, thus we used a LTQ-Orbitrap XL high resolution mass spectrometer to analyse the HCN polymers. These are produced at LISA by direct polymerisation of pure liquid HCN, catalyzed by ammonia. HCN polymers have been completely dissolved in methanol and then injected in the mass spectrometer by ElectroSpray Ionization (ESI). This atmospheric pressure ionization process produces protonated or deprotonated ions, but it does not fragment molecules. Thus HRMS, allows a direct access to the stoechiometry of all the ionizable molecules present in the samples. Fragmentation analyses (MS/MS) of selected ions have also been performed. Thess analysis provide information about the different chemical fonctionnalities present in HCN poly-mers and also about their structure. Thus we are able to

  2. Microfabrication of low thermal mass heated nebulizer chips for mass spectrometry

    International Nuclear Information System (INIS)

    A low thermal mass Si–glass heated nebulizer chip for mass spectrometry is presented. The chips are used to mix a liquid sample (about 10 µL min−1) with a nebulizer gas (N2 at about 100 mL min−1) and to vaporize the mixture. They are suited to work with multiple atmospheric pressure ionization methods. Miniaturization of heated nebulizer chips increases sensitivity, performance and flexibility for mass spectrometry. The microsystem includes a sample channel with an in-plane converging exit nozzle and a resistive copper heater, located on the channel roof, enabling operation temperatures above 450 °C; needed for the complete vaporization of the sample. Excessive Si is etched away for the reduction of heat losses due to conduction and improvement of the heater efficiency. The chip is designed to ensure low temperatures at the side of fluidic inlet, allowing an easy connection of a nebulizer gas with a polymeric sealant. The jets are characterized by scanning with a miniature thermocouple perpendicularly to the stream direction. Jet temperatures and shape can be evaluated with the acquired cross-sectional two-dimensional temperature maps. Jets are found to stream without spreading, creating small spot sizes depending on nozzle dimensions. (paper)

  3. Improving Tritium Exposure Reconstructions Using Accelerator Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Love, A; Hunt, J; Knezovich, J

    2003-06-01

    Exposure reconstructions for radionuclides are inherently difficult. As a result, most reconstructions are based primarily on mathematical models of environmental fate and transport. These models can have large uncertainties, as important site-specific information is unknown, missing, or crudely estimated. Alternatively, surrogate environmental measurements of exposure can be used for site-specific reconstructions. In cases where environmental transport processes are complex, well-chosen environmental surrogates can have smaller exposure uncertainty than mathematical models. Because existing methodologies have significant limitations, the development or improvement of methodologies for reconstructing exposure from environmental measurements would provide important additional tools in assessing the health effects of chronic exposure. As an example, the direct measurement of tritium atoms by accelerator mass spectrometry (AMS) enables rapid low-activity tritium measurements from milligram-sized samples, which permit greater ease of sample collection, faster throughput, and increased spatial and/or temporal resolution. Tritium AMS was previously demonstrated for a tree growing on known levels of tritiated water and for trees exposed to atmospheric releases of tritiated water vapor. In these analyses, tritium levels were measured from milligram-sized samples with sample preparation times of a few days. Hundreds of samples were analyzed within a few months of sample collection and resulted in the reconstruction of spatial and temporal exposure from tritium releases.

  4. Nanowire dopant measurement using secondary ion mass spectrometry

    International Nuclear Information System (INIS)

    A method is presented to improve the quantitative determination of dopant concentration in semiconductor nanowire (NW) arrays using secondary ion mass spectrometry (SIMS). SIMS measurements were used to determine Be dopant concentrations in a Be-doped GaAs thin film and NW arrays of various pitches that were dry-etched from the same film. A comparison of these measurements revealed a factor of 3 to 12 difference, depending on the NW array pitch, between the secondary Be ion yields of the film and the NW arrays, despite being identically doped. This was due to matrix effects and ion beam mixing of Be from the NWs into the surrounding benzocyclobutene that was used to fill the space between the NWs. This indicates the need for etched NWs to be used as doping standards instead of 2D films when evaluating NWs of unknown doping by SIMS. Using the etched NWs as doping standards, NW arrays of various pitches grown by the vapour-liquid-solid mechanism were characterized by SIMS to yield valuable insights into doping mechanisms

  5. Isotopic bias effects in resonance ionization mass spectrometry

    International Nuclear Information System (INIS)

    Resonance ionization mass spectrometry (RIMS) is developing into a useful method for isotope ratio measurements with high selectivity and sensitivity of the technique for a large number of elements. The sensitivity of the technique relies on a number of experimental factors. Of primary importance is the proper coupling of the tunable laser output with the atomization source, which is most often a thermal filament. Use of pulsed thermal atomization can also improve efficiency. An increase in temporal efficiency can be achieved by using a continuous wave (CW) laser coupled to a continuous atomization source. CW lasers, in general, therefore must be tightly focused to saturate the ionization step in a resonance ionization process. However, this results in a lowered efficiency due to geometrical factors. The accuracy of isotope ratio measurements is also influenced by the choice of laser system for RIMS. The combination of isotope shifts and the analyte element with the spectral output of the laser will result in wavelength-dependant bias effects which must be controlled to obtain optimum analytical results. This problem has been studied and the results for both pulsed and CW lasers are given. (author)

  6. Near edge X-ray absorption mass spectrometry on coronene

    Energy Technology Data Exchange (ETDEWEB)

    Reitsma, G.; Deuzeman, M. J.; Hoekstra, R.; Schlathölter, T. [Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747AG Groningen (Netherlands); Boschman, L. [Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747AG Groningen (Netherlands); Kapteyn Astronomical Institute, University of Groningen, Groningen (Netherlands); Hoekstra, S. [Van Swinderen Institute, University of Groningen, Groningen (Netherlands)

    2015-01-14

    We have investigated the photoionization and photodissociation of free coronene cations C{sub 24}H{sub 12}{sup +} upon soft X-ray photoabsorption in the carbon K-edge region by means of a time-of-flight mass spectrometry approach. Core excitation into an unoccupied molecular orbital (below threshold) and core ionization into the continuum both leave a C 1s vacancy, that is subsequently filled in an Auger-type process. The resulting coronene dications and trications are internally excited and cool down predominantly by means of hydrogen emission. Density functional theory was employed to determine the dissociation energies for subsequent neutral hydrogen loss. A statistical cascade model incorporating these dissociation energies agrees well with the experimentally observed dehydrogenation. For double ionization, i.e., formation of intermediate C{sub 24}H{sub 12}{sup 3+⋆}trications, the experimental data hint at loss of H{sup +} ions. This asymmetric fission channel is associated with hot intermediates, whereas colder intermediates predominantly decay via neutral H loss.

  7. Fast multi-blind modification search through tandem mass spectrometry.

    Science.gov (United States)

    Na, Seungjin; Bandeira, Nuno; Paek, Eunok

    2012-04-01

    With great biological interest in post-translational modifications (PTMs), various approaches have been introduced to identify PTMs using MS/MS. Recent developments for PTM identification have focused on an unrestrictive approach that searches MS/MS spectra for all known and possibly even unknown types of PTMs at once. However, the resulting expanded search space requires much longer search time and also increases the number of false positives (incorrect identifications) and false negatives (missed true identifications), thus creating a bottleneck in high throughput analysis. Here we introduce MODa, a novel "multi-blind" spectral alignment algorithm that allows for fast unrestrictive PTM searches with no limitation on the number of modifications per peptide while featuring over an order of magnitude speedup in relation to existing approaches. We demonstrate the sensitivity of MODa on human shotgun proteomics data where it reveals multiple mutations, a wide range of modifications (including glycosylation), and evidence for several putative novel modifications. Based on the reported findings, we argue that the efficiency and sensitivity of MODa make it the first unrestrictive search tool with the potential to fully replace conventional restrictive identification of proteomics mass spectrometry data. PMID:22186716

  8. Application of Black Silicon for Nanostructure-Initiator Mass Spectrometry.

    Science.gov (United States)

    Gao, Jian; de Raad, Markus; Bowen, Benjamin P; Zuckermann, Ronald N; Northen, Trent R

    2016-02-01

    Nanostructure-initiator mass spectrometry (NIMS) is a matrix-free desorption/ionization technique with high sensitivity for small molecules. Surface preparation has relied on hydrofluoric acid (HF) electrochemical etching which is undesirable given the significant safety controls required in this specialized process. In this study, we examine a conventional and widely used process for producing black silicon based on sulfur hexafluoride/oxygen (SF6/O2) inductively coupled plasma (ICP) etching at cryogenic temperatures and we find it to be suitable for NIMS. A systematic study varying parameters in the plasma etching process was performed to understand the relationship of black silicon morphology and its sensitivity as a NIMS substrate. The results suggest that a combination of higher silicon temperature and oxygen flow rate gives rise to the formation of black silicon with fine pillar structures, whose aspect ratio are ∼ 8.7 and depth are surface restructuring caused by their low melting point upon laser irradiation. Interestingly, we find selectivity of these black silicon substrates to different analytes depending on the etching parameters. Though, the sensitivity of the dry etching process is lower than the traditional "wet" electrochemical etching process, it is suitable for many applications and is prepared using conventional equipment without the use of HF. PMID:26741735

  9. Recombinant Nepenthesin II for Hydrogen/Deuterium Exchange Mass Spectrometry.

    Science.gov (United States)

    Yang, Menglin; Hoeppner, Morgan; Rey, Martial; Kadek, Alan; Man, Petr; Schriemer, David C

    2015-07-01

    The pitcher secretions of the Nepenthes genus of carnivorous plants contain a proteolytic activity that is very useful for hydrogen/deuterium exchange mass spectrometry (HX-MS). Our efforts to reconstitute pitcher fluid activity using recombinant nepenthesin I (one of two known aspartic proteases in the fluid) revealed a partial cleavage profile and reduced enzymatic stability in certain HX-MS applications. We produced and characterized recombinant nepenthesin II to determine if it complemented nepenthesin I in HX-MS applications. Nepenthesin II shares many properties with nepenthesin I, such as fast digestion at reduced temperature and pH, and broad cleavage specificity, but in addition, it cleaves C-terminal to tryptophan. Neither enzyme reproduces the C-terminal proline cleavage we observed in the natural extract. Nepenthesin II is considerably more resistant to chemical denaturants and reducing agents than nepenthesin I, and it possesses a stability profile that is similar to that of pepsin. Higher stability combined with the slightly broader cleavage specificity makes nepenthesin II a useful alternative to pepsin and a more complete replacement for pitcher fluid in HX-MS applications. PMID:25993527

  10. Biomass carbon-14 ratio measured by accelerator mass spectrometry

    International Nuclear Information System (INIS)

    Measurement methods of a biomass carbon ratio in biomass products based on 14C-radiocarbon concentration have been reviewed. Determination of the biomass carbon ratio in biomass products is important to secure the reliance in the commercial market, because the 'biomass products' could contain products from petroleum. The biomass carbon ratio can be determined from percent Modern Carbon (pMC) using ASTM D6866 methods. The pMC value is calculated from the comparison between the 14C in sample and 14C in reference material. The 14C concentration in chemical products can be measured by liquid scintillation counter (LSC) and accelerator mass spectrometry (AMS). LSC can be applicable to determine the biomass carbon ratio for liquid samples such as gasoline with bioethanol (E5 or E10). On the other hand, AMS can be used to determine the biomass carbon ratio for almost all kinds of organic and inorganic compounds such as starch, cellulose, ethanol, gasoline, or polymer composite with inorganic fillers. AMS can accept the gaseous and solid samples. The graphite derived from samples included in solid phase is measured by AMS. The biomass carbon of samples derived from wood were higher than 100% due to the effect of atomic bomb test in the atmosphere around 1950 which caused the artificial 14C injection. Exact calculation methods of the biomass carbon ratio from pMC will be required for the international standard (ISO standard). (author)

  11. Integrated liquid chromatography-heated nebulizer microchip for mass spectrometry.

    Science.gov (United States)

    Haapala, Markus; Saarela, Ville; Pól, Jaroslav; Kolari, Kai; Kotiaho, Tapio; Franssila, Sami; Kostiainen, Risto

    2010-03-10

    A new integrated microchip for liquid chromatography-mass spectrometry (LC-MS) is presented. The chip is made from bonded silicon and glass wafers with structures for a packed LC column channel, a micropillar frit, a channel for optional optical detection, and a heated vaporizer section etched in silicon and platinum heater elements on the glass cover. LC eluent is vaporized and mixed with nebulizer gas in the vaporizer section and the vapor is sprayed out from the chip. Nonpolar and polar analytes can be efficiently ionized in the gas phase by atmospheric pressure photoionization (APPI) as demonstrated with polycyclic aromatic hydrocarbons (PAHs) and selective androgen receptor modulators (SARMs). This is not achievable with present LC-MS chips, since they are based on electrospray ionization, which is not able to ionize nonpolar compounds efficiently. The preliminary quantitative performance of the new chip was evaluated in terms of limit of detection (down to 5 ng mL(-1)), linearity (r>0.999), and repeatability of signal response (RSD=2.6-4.0%) and retention time (RSD=0.3-0.5%) using APPI for ionization and PAHs as standard compounds. Determination of fluorescent compounds is demonstrated by using laser-induced fluorescence (LIF) for detection in the optical detection channel before the vaporizer section. PMID:20171315

  12. Dissecting plasmodesmata molecular composition by mass spectrometry-based proteomics.

    Directory of Open Access Journals (Sweden)

    Emmanuelle Maria Françoise Bayer

    2013-01-01

    Full Text Available In plants, the intercellular communication through the membranous channels called plasmodesmata (PD; singular plasmodesma plays pivotal roles in the orchestration of development, defence responses and viral propagation. PD are dynamic structures embedded in the plant cell wall that are defined by specialised domains of the endoplasmic reticulum and the plasma membrane. PD structure and unique functions are guaranteed by their particular molecular composition. Yet, up to recent years and despite numerous approaches such as mutant screens, immunolocalisation or screening of random cDNAs, only few PD proteins had been conclusively identified and characterised. A clear breakthrough in the search of PD constituents came from mass-spectrometry-based proteomic approaches coupled with subcellular fractionation strategies. Due to their position, firmly anchored in the extracellular matrix, PD are notoriously difficult to isolate for biochemical analysis. Proteomic-based approaches have therefore first relied on the use of cell wall fractions containing embedded PD then on free PD fractions whereby PD membranes were released from the walls by enzymatic degradation. To discriminate between likely contaminants and PD protein candidates, bioinformatics tools have often been used in combination with proteomic approaches. GFP fusion proteins of selected candidates have confirmed the PD association of several protein families. Here we review the accomplishments and limitations of the proteomic based strategies to unravel the functional and structural complexity of PD. We also discuss the role of the identified PD associated proteins.

  13. Deep-sea astronomy with Accelerator Mass Spectrometry

    International Nuclear Information System (INIS)

    Accelerator Mass Spectrometry (AMS) is a highly sensitive method to measure extremely low isotopic ratios of long-lived radionuclides relative to its stable isotope. Inspired by findings of an excess of 60Fe in a ferromanganese crust approximately 2 Myr ago, which was interpreted to be of supernova-origin, we use this method to determine concentrations of a variety of radionuclides in deep-sea sediment samples covering a time range from 1.7 to 3.2 Myr. An international collaboration of different AMS facilities is utilized to search for signatures of 26Al, 53Mn, and 60Fe above terrestrial background production and extraterrestrial influx. In addition, the cosmogenic radionuclide 10Be is measured to confirm existing magnetostratigraphic dating of the samples and for comparison with atmospheric production ratios of 26Al/10Be. All 10Be and 26Al measurements are finished, 53Mn and 60Fe is in progress. Measurement results and the influence of different background sources on a potential supernova signature are presented and discussed.

  14. Some pitfalls in chemical sample preparation for accelerator mass spectrometry

    International Nuclear Information System (INIS)

    Sophisticated sample preparation including the determination of stable nuclides are an essential prerequisite for high-accuracy accelerator mass spectrometry (AMS) data. Improvements in the low-level regime already paid back, however, some pitfalls still exist or are (re-) appearing due to recent developments: 1.) As most samples prepared for 10Be-AMS need the addition of 9Be in the form of a liquid solution of known 9Be-concentration and commercial solutions contain too much 10Be, solutions from minerals originating from deep mines have been established. Special attention has recently been paid to the preparation of such a 9Be-carrier by the determination of the 9Be-value by an interlaboratory comparison. It could be shown that deviations between different labs exist, thus, it is strongly advised to have such solutions analysed at more than a single lab to prevent incorrect 10Be-results. 2.) In our approach to analyse as many radionuclides as possible in a single meteorite sample, small changes in the established chemical separation have been tested. Though, the secondary formation of partially insoluble compounds of Mg and Al by the pressure digestion is strongly influenced, thus, yielding to too low 27Al-results in the taken aliquot and overall incorrect 26Al-results.

  15. Ion source memory in 36Cl accelerator mass spectrometry

    International Nuclear Information System (INIS)

    Since the DREAMS (Dresden Accelerator Mass Spectrometry) facility went operational in 2011, constant effort was put into enabling routine measurements of long-lived radionuclides as 10Be, 26Al and 41Ca. For precise AMS-measurements of the volatile element Cl the key issue is the minimization of the long term memory effect. For this purpose one of the two original HVE sources was mechanically modified, allowing the usage of bigger cathodes with individual target apertures. Additionally a more open geometry was used to improve the vacuum level. To evaluate this improvement in comparison to other up-to-date ion sources, a small inter-laboratory comparison had been initiated. The long-term memory effect in the Cs sputter ion sources of the AMS facilities VERA, ASTER and DREAMS had been investigated by running samples of natural 35Cl/37Cl-ratio and samples containing highly enriched 35Cl(35Cl/37Cl > 500). Primary goals of the research are the time constants of the recovery from the contaminated sample ratio to the initial ratio of the sample and the level of the long-term memory effect in the sources.

  16. Role of accelerator mass spectrometry in nuclear physics

    International Nuclear Information System (INIS)

    Accelerator Mass Spectrometry (AMS) was developed in nuclear physics laboratories and up to now all experiments were performed at these places. However, AMS is being applied to a variety of fields which have very little to do with nuclear physics. The implications are for its original field can be divided in two domains. First, there are clearly instrumental implications. The overall demand of AMS for high efficiency ion sources, great stability, flexibility, and control of the entire accelerator system is certainly beneficial for the performance of any nuclear physics program. Second, AMS can be conveniently used to determine nuclear quantities of interest when the measurements involves very low radioisotope concentrations. Examples are the half-life measurement of 32Si and the cross section measurement of the 26Mg(p,n)26Al reaction. As the overall detection efficiency will improve there are some interesting problems in nuclear physics and elementary particle physics which are tempting to try. Although most of these experiments are beyond the present capability of AMS, some general aspects are discussed in section 5

  17. Lipidomic Analysis of Glioblastoma Multiforme Using Mass Spectrometry

    Science.gov (United States)

    Ha, Soo Jung; Showalter, Gordon; Cai, Shanbao; Wang, Haiyan; Liu, Wei Michael; Cohen-Gadol, Aaron A.; Sarkaria, Jann N.; Rickus, Jenna; Springer, John; Adamec, Jiri; Pollok, Karen E.; Clase, Kari L.

    2016-01-01

    Glioblastoma multiforme (GBM) is the most common and malignant form of primary brain tumors. It is highly invasive and current treatment options have not improved the survival rate over the past twenty years. Novel approaches and technologies from systems biology have the potential to identify biomarkers that could serve as new therapeutic targets for GBM. This study employed lipid profiling technology to investigate lipid biomarkers in ectopic and orthotopic human GBM xenograft models. Primary patient cell lines, GBM10 and GBM43, were injected into the flank and the right cerebral hemisphere of NOD/SCID mice. Tumors were harvested from the brain and flank and proteins, metabolites, and lipids extracted from each sample. Reverse phase based high performance liquid chromatography coupled with Fourier transform ion cyclotron resonance mass spectrometry (LC-FTMS) was used to analyze the lipid profiles of tumor samples. Statistical and clustering analyses were performed to detect differences. Over 500 lipids were identified in each tumor model and lipids with the greatest fold effect in the comparison of ectopic versus orthotopic tumor models fell predominantly into four main classes of lipids: glycosphingolipids, glycerophoshpoethanolamines, triradylglycerols, and glycerophosphoserines. Lipidomic analysis revealed differences in glycosphingolipid and triglyceride profiles when the same tumor was propagated in the flank versus the brain. These results underscore the importance of the surrounding physiological environment on tumor development and are consistent with the hypothesis that specific classes of lipids are critical for GBM tumor growth in different anatomical sites. PMID:17929901

  18. Dynamic Reactive Ionization with Cluster Secondary Ion Mass Spectrometry

    Science.gov (United States)

    Tian, Hua; Wucher, Andreas; Winograd, Nicholas

    2016-02-01

    Gas cluster ion beams (GCIB) have been tuned to enhance secondary ion yields by doping small gas molecules such as CH4, CO2, and O2 into an Ar cluster projectile, Arn + ( n = 1000-10,000) to form a mixed cluster. The `tailored beam' has the potential to expand the application of secondary ion mass spectrometry for two- and three-dimensional molecular specific imaging. Here, we examine the possibility of further enhancing the ionization by doping HCl into the Ar cluster. Water deposited on the target surface facilitates the dissociation of HCl. This concerted effect, occurring only at the impact site of the cluster, arises since the HCl is chemically induced to ionize to H+ and Cl- , allowing improved protonation of neutral molecular species. This hypothesis is confirmed by depth profiling through a trehalose thin film exposed to D2O vapor, resulting in ~20-fold increase in protonated molecules. The results show that it is possible to dynamically maintain optimum ionization conditions during depth profiling by proper adjustment of the water vapor pressure. H-D exchange in the trehalose molecule M was monitored upon deposition of D2O on the target surface, leading to the observation of [Mn* + H]+ or [Mn* + D]+ ions, where n = 1-8 hydrogen atoms in the trehalose molecule M have been replaced by deuterium. In general, we discuss the role of surface chemistry and dynamic reactive ionization of organic molecules in increasing the secondary ion yield.

  19. Proteomics and mass spectrometry in the diagnosis of renal amyloidosis.

    Science.gov (United States)

    Picken, Maria M

    2015-12-01

    The amyloidoses are a 'group' of disorders, all of which are associated with deposits that display similar staining and ultrastructural features and are toxic to tissues. Many proteins-currently 31 protein types and many more variants-have been shown to undergo such transformations. Among the various currently known amyloidoses, there are marked differences with regard to their pathogenesis and incidence, while the associated clinical picture is frequently overlapping. However, the therapies that are currently available are amyloid-type specific. The diagnosis of amyloidosis thus involves two steps: (i) a generic diagnosis, followed by (ii) an amyloid type-specific diagnosis or 'amyloid typing'. Immunofluorescence in frozen sections or immunohistochemistry (IHC) in paraffin sections has traditionally been used in the typing of amyloid. However, IHC of amyloid differs significantly from IHC in other areas of surgical pathology; both caution and experience are necessary for its interpretation. The rationale for the application of proteomic methods to amyloid typing lies in the relative abundance of amyloid proteins in tissue where, frequently, it is the 'dominant' protein. Proteomic techniques include the following steps: sample preparation, protein extraction and digestion into peptide fragments, followed by their subsequent separation and measurement by mass spectrometry (MS) and protein identification by informatics. The advantages as well as the limitations of both methods-immunohistochemistry and MS-based proteomics-are discussed. The current recommendations for the application of proteomics in renal amyloidosis are summarized. PMID:26613021

  20. Mass-spectrometry-based draft of the human proteome.

    Science.gov (United States)

    Wilhelm, Mathias; Schlegl, Judith; Hahne, Hannes; Moghaddas Gholami, Amin; Lieberenz, Marcus; Savitski, Mikhail M; Ziegler, Emanuel; Butzmann, Lars; Gessulat, Siegfried; Marx, Harald; Mathieson, Toby; Lemeer, Simone; Schnatbaum, Karsten; Reimer, Ulf; Wenschuh, Holger; Mollenhauer, Martin; Slotta-Huspenina, Julia; Boese, Joos-Hendrik; Bantscheff, Marcus; Gerstmair, Anja; Faerber, Franz; Kuster, Bernhard

    2014-05-29

    Proteomes are characterized by large protein-abundance differences, cell-type- and time-dependent expression patterns and post-translational modifications, all of which carry biological information that is not accessible by genomics or transcriptomics. Here we present a mass-spectrometry-based draft of the human proteome and a public, high-performance, in-memory database for real-time analysis of terabytes of big data, called ProteomicsDB. The information assembled from human tissues, cell lines and body fluids enabled estimation of the size of the protein-coding genome, and identified organ-specific proteins and a large number of translated lincRNAs (long intergenic non-coding RNAs). Analysis of messenger RNA and protein-expression profiles of human tissues revealed conserved control of protein abundance, and integration of drug-sensitivity data enabled the identification of proteins predicting resistance or sensitivity. The proteome profiles also hold considerable promise for analysing the composition and stoichiometry of protein complexes. ProteomicsDB thus enables navigation of proteomes, provides biological insight and fosters the development of proteomic technology. PMID:24870543

  1. Nanowire dopant measurement using secondary ion mass spectrometry

    Science.gov (United States)

    Chia, A. C. E.; Dhindsa, N.; Boulanger, J. P.; Wood, B. A.; Saini, S. S.; LaPierre, R. R.

    2015-09-01

    A method is presented to improve the quantitative determination of dopant concentration in semiconductor nanowire (NW) arrays using secondary ion mass spectrometry (SIMS). SIMS measurements were used to determine Be dopant concentrations in a Be-doped GaAs thin film and NW arrays of various pitches that were dry-etched from the same film. A comparison of these measurements revealed a factor of 3 to 12 difference, depending on the NW array pitch, between the secondary Be ion yields of the film and the NW arrays, despite being identically doped. This was due to matrix effects and ion beam mixing of Be from the NWs into the surrounding benzocyclobutene that was used to fill the space between the NWs. This indicates the need for etched NWs to be used as doping standards instead of 2D films when evaluating NWs of unknown doping by SIMS. Using the etched NWs as doping standards, NW arrays of various pitches grown by the vapour-liquid-solid mechanism were characterized by SIMS to yield valuable insights into doping mechanisms.

  2. Aluminum-26 as a biological tracer using accelerator mass spectrometry

    Science.gov (United States)

    Flarend, Richard Edward

    1997-06-01

    The development of accelerator mass spectrometry (AMS) has provided a practical method of detection for the only isotope of aluminum suitable as a tracer, 26Al. The use of 26Al as a tracer for aluminum has made possible the study of aluminum metabolism and the pharmacokinetics of aluminum-containing drugs at physiological levels. An overview of the various advantages of using 26Al as a tracer for aluminum and a general description of the AMS technique as applied to bio-medical applications is given. To illustrate the versatility of 26Al as a tracer for aluminum, 26Al studies of the past several years are discussed briefly. In addition, Two novel investigations dealing with 26Al-labeled drugs will be presented in more detail. In one of these studies, it was found that 26Al from aluminum hydroxide and aluminum phosphate vaccine adjuvants appeared in the blood just one hour after intramuscular injection. This is a surprising result since the currently held theory of how adjuvants work assumes that adjuvants remain insoluble and hold the antigen at the injection site for a long period of time. In another project, 26Al-labeled antiperspirants are being characterized by combining AMS with traditional analytical and chromatographic techniques. Future directions for this and other possible studies are discussed.

  3. Scanning mass spectrometry with integrated constant distance positioning

    International Nuclear Information System (INIS)

    Scanning mass spectrometry is of growing importance for the characterization of catalytically active surfaces. The instrument presented here is capable of measuring catalytic activity spatially resolved by means of two concentric capillaries. The outer one is used for cofeeding reactants such as ethene and hydrogen to the sample surface, whereas the inner one is pumping off the product mixture as inlet to a quadrupole mass spectrometer. Three-dimensional measurements under stagnant-point flow conditions become possible based on a home-built capillary positioning unit. Step-motor driven positioning stages exhibiting a minimum step width of 2.5 μmehalf step are used for the x, y positioning, and the step motor in z direction has a resolution of 1 μmehalf step. The system is additionally equipped with a feedback loop for following the topography of the sample throughout scanning. Hence, the obtained catalytic data are unimpaired by signal changes caused by the morphology of the investigated structure. For distance control the argon ion current is used originating from externally fed argon diffusing into the confined space between the accurately positioned capillaries and the sample surface. A well-defined microchannel flow field with 400 μm wide channels and 200 μm wide mounds was chosen to evaluate the developed method. The catalytic activity of a Pt catalyst deposited on glassy carbon was successfully visualized in constant probe to sample distance. Simultaneously, the topography of the sample was recorded derived from the z positioning of the capillaries

  4. Limitations of Mass Spectrometry-Based Peptidomic Approaches

    Science.gov (United States)

    Fricker, Lloyd D.

    2015-12-01

    Mass spectrometry-based peptidomic approaches are powerful techniques to detect and identify the peptide content of biological samples. The present study investigated the limitations of peptidomic approaches using trimethylammonium butyrate isotopic tags to quantify relative peptide levels and Mascot searches to identify peptides. Data were combined from previous studies on human cell lines or mouse tissues. The combined databases contain 2155 unique peptides ranging in mass from 444 to 8765 Da, with the vast majority between 1 and 3 kDa. The amino acid composition of the identified peptides generally reflected the frequency in the Eukaryotic proteome with the exception of Cys, which was not present in any of the identified peptides in the free-SH form but was detected at low frequency as a disulfide with Cys residues, a disulfide with glutathione, or as S-cyanocysteine. To test if the low detection rate of peptides smaller than 500 Da, larger than 3 kDa, or containing Cys was a limitation of the peptidomics procedure, tryptic peptides of known proteins were processed for peptidomics using the same approach used for human cell lines and mouse tissues. The identified tryptic peptides ranged from 516 to 2418 Da, whereas the theoretical digest ranged from 217 to 7559 Da. Peptides with Cys were rarely detected and, if present, the Cys was usually modified S-cyanocysteine. Additionally, peptides with mono- and di-iodo Tyr and His were identified. Taken together, there are limitations of peptidomic techniques, and awareness of these limitations is important to properly use and interpret results.

  5. Detection systems for mass spectrometry imaging: a perspective on novel developments with a focus on active pixel detectors

    NARCIS (Netherlands)

    Jungmann, JH; Heeren, R.M.A.

    2013-01-01

    Instrumental developments for imaging and individual particle detection for biomolecular mass spectrometry (imaging) and fundamental atomic and molecular physics studies are reviewed. Ion-counting detectors, array detection systems and highmass detectors for mass spectrometry (imaging) are treated.

  6. Application of MALDI-triple quadrupole mass spectrometry for the quantification of small molecules in biomedical research

    NARCIS (Netherlands)

    R.J.W. Meesters (Roland)

    2011-01-01

    textabstractA century after its introduction, mass spectrometry is still an innovative technology, which, due to continuous instrumental developments and improvements, has provided important scientific insights in biochemistry, molecular biology and medicine. Now, in 2011, mass spectrometry is used

  7. BF3-catalyzed methanolysis combined with FAB tandem mass spectrometry as a new tool for sequencing of cyclosporins

    Czech Academy of Sciences Publication Activity Database

    Havlíček, Vladimír; Jegorov, A.; Sedmera, Petr; Ryska, M.

    Barcelona : Grupo de Cromatografia y Tecnicas Afines, 1995, s. 7. [International Symposium on Applied Mass Spectrometry in the Health Sciences - European Tandem Mass Spectrometry Conference /3./. Barcelona (ES), 09.07.1995-13.07.1995

  8. Determination of percentage 235U in depleted uranium by combination of gamma spectrometry and potentiometry and comparison with thermal ionisation mass spectrometry

    International Nuclear Information System (INIS)

    A gamma ray spectrometric method has been developed for the determination of percentage 235U in the depleted uranium samples. The concentration of 235U was determined by gamma spectrometry while that of total uranium by potentiometry. The values compared well with those obtained by thermal ionisation mass spectrometry. A value of 0.614± 0.006 and 0.617 ± 005 were obtained by gamma spectrometry and thermal ionisation mass spectrometry respectively for a set of ten measurements. (author)

  9. Mass spectrometry data from proteomic analysis of human skin keratins after exposure to UV radiation

    OpenAIRE

    Lee, Seon Hwa; Matsushima, Keita; Miyamoto, Kohei; Oe, Tomoyuki

    2016-01-01

    A mass spectrometry (MS)-based proteomic methodology was employed to monitor oxidative modifications in keratins, the main constituents of human skin (“Non-invasive proteomic analysis of human skin keratins: screening of methionine oxidation in keratins by mass spectrometry” [1], “UV irradiation-induced methionine oxidation in human skin keratins: mass spectrometry-based non-invasive proteomic analysis” [2]). Human skin proteins were obtained non-invasively by tape stripping and solubilized i...

  10. Online Aerosol Mass Spectrometry of Single Micrometer-Sized Particles Containing Poly(ethylene glycol)

    Energy Technology Data Exchange (ETDEWEB)

    Bogan, M J; Patton, E; Srivastava, A; Martin, S; Fergenson, D; Steele, P; Tobias, H; Gard, E; Frank, M

    2006-10-25

    Analysis of poly(ethylene glycol)(PEG)-containing particles by online single particle aerosol mass spectrometers equipped with laser desorption ionization (LDI) is reported. We demonstrate that PEG-containing particles are useful in the development of aerosol mass spectrometers because of their ease of preparation, low cost, and inherently recognizable mass spectra. Solutions containing millimolar quantities of PEGs were nebulized and, after drying, the resultant micrometer-sized PEG containing particles were sampled. LDI (266 nm) of particles containing NaCl and PEG molecules of average molecular weight <500 generated mass spectra reminiscent of mass spectra of PEG collected by other MS schemes including the characteristic distribution of positive ions (Na{sup +} adducts) separated by the 44 Da of the ethylene oxide units separating each degree of polymerization. PEGs of average molecular weight >500 were detected from particles that also contained t the tripeptide tyrosine-tyrosine-tyrosine or 2,5-dihydroxybenzoic acid, which were added to nebulized solutions to act as matrices to assist LDI using pulsed 266 nm and 355 nm lasers, respectively. Experiments were performed on two aerosol mass spectrometers, one reflectron and one linear, that each utilize two time-of-flight mass analyzers to detect positive and negative ions created from a single particle. PEG-containing particles are currently being employed in the optimization of our bioaerosol mass spectrometers for the application of measurements of complex biological samples, including human effluents, and we recommend that the same strategies will be of great utility to the development of any online aerosol LDI mass spectrometer platform.

  11. Mass Spectrometry as a Powerful Analytical Technique for the Structural Characterization of Synthesized and Natural Products

    Science.gov (United States)

    Es-Safi, Nour-Eddine; Essassi, El Mokhtar; Massoui, Mohamed; Banoub, Joseph

    Mass spectrometry is an important tool for the identification and structural elucidation of natural and synthesized compounds. Its high sensitivity and the possibility of coupling liquid chromatography with mass spectrometry detection make it a technique of choice for the investigation of complex mixtures like raw natural extracts. The mass spectrometer is a universal detector that can achieve very high sensitivity and provide information on the molecular mass. More detailed information can be subsequently obtained by resorting to collision-induced dissociation tandem mass spectrometry (CID-MS/MS). In this review, the application of mass spectrometric techniques for the identification of natural and synthetic compounds is presented. The gas-phase fragmentation patterns of a series of four natural flavonoid glycosides, three synthesized benzodiazepines and two synthesized quinoxalinone derivatives were investigated using electrospray ionization mass spectrometry (ESI-MS) and tandem mass spectrometry techniques. Exact accurate masses were measured using a modorate resolution quadrupole orthogonal time-of-flight QqTOF-MS/MS hybrid mass spectrometer instrument. Confirmation of the molecular masses and the chemical structures of the studied compounds were achieved by exploring the gas-phase breakdown routes of the ionized molecules. This was rationalized by conducting low-energy collision CID-MS/MS analyses (product ion- and precursor ion scans) using a conventional quadrupole hexapole-quadrupole (QhQ) tandem mass spectrometer.

  12. Mass spectrometry based proteomics in cell biology and signaling research

    International Nuclear Information System (INIS)

    novel signaling molecules and to determine sites of phosphorylation. Proteomics can also be used to help in the annotation of genomes. Stage specific preparations of the human Malaria parasite Plasmodium falciparum were analyzed by liquid chromatography coupled to tandem mass spectrometry and resulted in the identification of more than 1300 proteins. Interestingly, a proportion of the sequenced peptides mapped to the genome but not to the set of predicted proteins of the parasite

  13. Tracking the Magnetron Motion in FT-ICR Mass Spectrometry

    Science.gov (United States)

    Jertz, Roland; Friedrich, Jochen; Kriete, Claudia; Nikolaev, Evgeny N.; Baykut, Gökhan

    2015-08-01

    In Fourier transform ion cyclotron resonance spectrometry (FT-ICR MS) the ion magnetron motion is not usually directly measured, yet its contribution to the performance of the FT-ICR cell is important. Its presence is manifested primarily by the appearance of even-numbered harmonics in the spectra. In this work, the relationship between the ion magnetron motion in the ICR cell and the intensities of the second harmonic signal and its sideband peak in the FT-ICR spectrum is studied. Ion motion simulations show that during a cyclotron motion excitation of ions which are offset to the cell axis, a position-dependent radial drift of the cyclotron center takes place. This radial drift can be directed outwards if the ion is initially offset towards one of the detection electrodes, or it can be directed inwards if the ion is initially offset towards one of the excitation electrodes. Consequently, a magnetron orbit diameter can increase or decrease during a resonant cyclotron excitation. A method has been developed to study this behavior of the magnetron motion by acquiring a series of FT-ICR spectra using varied post-capture delay (PCD) time intervals. PCD is the delay time after the capture of the ions in the cell before the cyclotron excitation of the ion is started. Plotting the relative intensity of the second harmonic sideband peak versus the PCD in each mass spectrum leads to an oscillating "PCD curve". The position and height of minima and maxima of this curve can be used to interpret the size and the position of the magnetron orbit. Ion motion simulations show that an off-axis magnetron orbit generates even-numbered harmonic peaks with sidebands at a distance of one magnetron frequency and multiples of it. This magnetron offset is due to a radial offset of the electric field axis versus the geometric cell axis. In this work, we also show how this offset of the radial electric field center can be corrected by applying appropriate DC correction voltages to the

  14. EVALUATION OF BIOAEROSOLS ASSOCIATED WITH CONCENTRATED ANIMAL FACILITY OPERATIONS (CAFOS)

    Science.gov (United States)

    Certain illnesses have been associated with workers involved with CAFO's, however exposure at the property line has not been determined. The USEPA will monitor bioaerosols during CAFO operation to determine if specific bioaerosol components are pathogenic.

  15. Tandem Mass Spectrometry for the Detection of Plant Pathogenic Fungi and the Effects of Database Composition on Protein Inferences

    Science.gov (United States)

    Mass spectrometry has shown potential for identifying and detecting plant pathogens. Unlike antibody-based assays like ELISA, mass spectrometry does not require the use of pathogen-specific reagents for the detection of pathogen-specific proteins and peptides. However, the mass spectrometry appro...

  16. Structural Characterization of Anticancer Drug Paclitaxel and Its Metabolites Using Ion Mobility Mass Spectrometry and Tandem Mass Spectrometry

    Science.gov (United States)

    Lee, Hong Hee; Hong, Areum; Cho, Yunju; Kim, Sunghwan; Kim, Won Jong; Kim, Hugh I.

    2016-02-01

    Paclitaxel (PTX) is a popular anticancer drug used in the treatment of various types of cancers. PTX is metabolized in the human liver by cytochrome P450 to two structural isomers, 3'- p-hydroxypaclitaxel (3 p-OHP) and 6α-hydroxypaclitaxel (6α-OHP). Analyzing PTX and its two metabolites, 3 p-OHP and 6α-OHP, is crucial for understanding general pharmacokinetics, drug activity, and drug resistance. In this study, electrospray ionization ion mobility mass spectrometry (ESI-IM-MS) and collision induced dissociation (CID) are utilized for the identification and characterization of PTX and its metabolites. Ion mobility distributions of 3 p-OHP and 6α-OHP indicate that hydroxylation of PTX at different sites yields distinct gas phase structures. Addition of monovalent alkali metal and silver metal cations enhances the distinct dissociation patterns of these structural isomers. The differences observed in the CID patterns of metalated PTX and its two metabolites are investigated further by evaluating their gas-phase structures. Density functional theory calculations suggest that the observed structural changes and dissociation pathways are the result of the interactions between the metal cation and the hydroxyl substituents in PTX metabolites.

  17. High resolution Orbitrap mass spectrometry in comparison with tandem mass spectrometry for confirmation of anabolic steroids in meat.

    Science.gov (United States)

    Vanhaecke, Lynn; Van Meulebroek, Lieven; De Clercq, Nathalie; Vanden Bussche, Julie

    2013-03-12

    A prominent trend which has been observed in recent years in the analysis of veterinary drugs and growth-promoting agents is the shift from target-oriented procedures, mainly based on liquid chromatography coupled to triple-quadrupole mass spectrometry (LC-QqQ-MS), towards accurate mass full scan MS (such as time of flight (ToF) and Fourier Transform (FT) Orbitrap MS). In this study the applicability of high resolution single-stage-Orbitrap-MS for confirmatory analysis of growth-promoting agents in meat was compared to that of a QqQ-MS. Validation according to CD 2002/657/EC demonstrated that steroid analysis based on Orbitrap MS, operating at a resolution of 50,000 FWHM, is indeed capable to compete with QqQ-MS in terms of selectivity/specificity, while providing excellent linearity (for most compounds >0.99) but somewhat inferior sensitivity. Indeed, CCαs reached from 0.04-0.88μgkg(-1) for the 34 anabolic steroids upon MS/MS detection, while upon Orbitrap MS detection a range of 0.07-2.50μgkg(-1) was observed. Using QqQ-MS adequate precision was obtained since relative standard deviations, associated with the repeatability and intra-laboratory reproducibility, were below 20%. In the case of Orbitrap MS, for some compounds (i.e. some estrogens) this threshold was exceeded and thus poor precision was observed, which is possibly caused by the lack in sensitivity. Overall, it may be concluded that Orbitrap-MS offers an adequate performance in terms of linearity and precision but lacks in sensitivity for some of the compounds. PMID:23452795

  18. The future of the accelerator mass spectrometry of rare long-lived radioactive isotopes

    International Nuclear Information System (INIS)

    Accelerators, originally designed for nuclear physics, can be added to mass spectrometric apparatus to increase the sensitivity so that isotope ratios in the range 10-12 to 10-15 can be measured routinely. This significant improvement of high-sensitivity mass spectrometry has been called Accelerator Mass Spectrometry. The present article addresses the basic principles of accelerator mass spectrometry and some recent applications which show its versatility. In particular, it is noted that accelerator mass spectrometry could play an increasing role in the measurement of the levels of long lived radioactivities in the environment, including the actinides, which result from human activities such as the use of nuclear power. To fulfill this promise, continued research and development is necessary to provide ion sources, various types of heavy ion accelerators and peripheral magnetic and electric analysers. (N.K.)

  19. Helium-3 mass spectrometry for low-level tritium analysis of environmental samples

    International Nuclear Information System (INIS)

    Helium-3 (3He) mass spectrometry for the analysis of low-level tritium (3H) concentrations in environmental sample matrices was compared with conventional low-level β-decay counting methods. The mass-spectrometry method compared favorably, equaling or surpassing conventional decay-counting methods with respect to most criteria. Additional research and method refinements may make 3He mass spectrometry the method of choice for routine, low-level to very-low-level 3H measurements in a wide variety of environmental samples in the future

  20. Mass spectrometry in structural biology and biophysics architecture, dynamics, and interaction of biomolecules

    CERN Document Server

    Kaltashov, Igor A; Desiderio, Dominic M; Nibbering, Nico M

    2012-01-01

    The definitive guide to mass spectrometry techniques in biology and biophysics The use of mass spectrometry (MS) to study the architecture and dynamics of proteins is increasingly common within the biophysical community, and Mass Spectrometry in Structural Biology and Biophysics: Architecture, Dynamics, and Interaction of Biomolecules, Second Edition provides readers with detailed, systematic coverage of the current state of the art. Offering an unrivalled overview of modern MS-based armamentarium that can be used to solve the most challenging problems in biophysics, structural biol

  1. A NEW GENERATION OF INSTRUMENTATION AND CAPABILITIES FOR ATOMIC MASS SPECTROMETRY

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    @@ Atomic mass spectrometry,embodied usually as inductively coupled plasma mass spectrometry (ICPMS) or glow-discharge mass spectrometry (GDMS),has become a widely accepted tool for trace and ultra-trace elemental analysis.ICPMS offers detection limits below 1 ppt in solution,a dynamic concentration levels,isotope-analysis and isotope-dilution capabilities,modest matrix interferences,understandable spectral interferences (isobaric overlaps),precision in range of 2—5%,and rapid measurements (typically 10 seconds per isotope).

  2. Field Evaluation of Personal Sampling Methods for Multiple Bioaerosols

    OpenAIRE

    Wang, Chi-Hsun; Chen, Bean T; Han, Bor-Cheng; Liu, Andrew Chi-Yeu; Hung, Po-Chen; Chen, Chih-Yong; Chao, Hsing Jasmine

    2015-01-01

    Ambient bioaerosols are ubiquitous in the daily environment and can affect health in various ways. However, few studies have been conducted to comprehensively evaluate personal bioaerosol exposure in occupational and indoor environments because of the complex composition of bioaerosols and the lack of standardized sampling/analysis methods. We conducted a study to determine the most efficient collection/analysis method for the personal exposure assessment of multiple bioaerosols. The sampling...

  3. Concentration and flux of bioaerosol and environmental factors

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The concentration and flux transportation of bioaerosol are analyzed using the data observed in Nanjing in July 1998. Some results are obtained: (i) the concentration and flux transportation of bioaerosol vary periodically with the cycle of the solar radiation and atmospheric turbulent intensity, (ii) The bioaerosol concentration is affected by both the bioaerosol flux transportation and the environmental factors. The bacterial concentration is obviously affected by the solar radiation while the fungi concentration is significantly affected by temperature.

  4. Applications of accelerator mass spectrometry to environmental and paleoclimate studies

    International Nuclear Information System (INIS)

    Full text: A wide range of climatic, geologic and archaeological records can be characterized by measuring their 14C and 10Be concentrations, using the accelerator mass spectrometry (AMS). These records are found not only in the traditional sampling sites such as lake sediments and ice cores, but also in diverse natural records such as: loess/paleosol deposits, corals, speleothems and forest-fire horizons. The in-situ production of cosmogenic radionuclides in terrestrial materials is a new methodology which provides several possibilities of determining their chronology. The purpose of this paper is to highlight selected applications of AMS, which have bearing to our understanding of both chronology of archival materials, and learning about climatic changes in the past. The development of a good chronology is very important to the understanding of past climatic changes and their relationship to other events. To correlate distinct climatic features requires that we are able to correlate phenomena, which can be dated independently. The improvement in the radiocarbon calibration curve over the last 26,000 yr has allowed us to cross-correlate fluctuations in the 14C curve directly with those in the ice-core record. This capability has improved attempts to cross-correlate different climatic events observed in one record with other proxy records. This extension of the calibration curve used tree rings to about 11,500 calibrated years and beyond that used corals and varved marine sediments. Other newer but perhaps less-reliable records can take us back to the limits of radiocarbon dating, using lake sediments and speleothem records. An important consideration in the geochronology of past climate change is that the same event might be manifest in different ways in different parts of the world. For example, the uniformly cold younger Dryas in northern Europe and eastern North America might not have the same expression elsewhere. To give one example, although the Younger

  5. Characterization of linear and branched polyacrylates by tandem mass spectrometry.

    Science.gov (United States)

    Chaicharoen, Kittisak; Polce, Michael J; Singh, Anirudha; Pugh, Coleen; Wesdemiotis, Chrys

    2008-10-01

    The unimolecular degradation of alkali-metal cationized polyacrylates with the repeat unit CH(2)CH(COOR) and a variety of ester pendants has been examined by tandem mass spectrometry. The fragmentation patterns resulting from collisionally activated dissociation depend sensitively on the size of the ester alkyl substituent (R). With small alkyl groups, as in poly(methyl acrylate), lithiated or sodiated oligomers (M) decompose via free-radical chemistry, initiated by random homolytic C-C bond cleavages along the polymer chain. The radical ions formed this way dissociate further by backbiting rearrangements and beta scissions to yield a distribution of terminal fragments with one of the original end groups and internal fragments with 2-3 repeat units. If the ester alkyl group bears three or more carbon atoms, cleavages within the ester moieties become the predominant decomposition channel. This distinct reactivity is observed if R = t-butyl, n-butyl, or the mesogenic group (CH(2))(11)-O-C(6)H(4)-C(6)H(4)-CN. The [M+alkali metal](+) ions of the latter polyacrylates dissociate largely by charge-remote 1,5-H rearrangements that convert COOR to COOH groups by expulsion of 1-alkenes. The acid groups may displace an alcohol unit from a neighboring ester pendant to form a cyclic anhydride, unless hindered by steric effects. Using atom transfer radical polymerization, hyperbranched polyacrylates were prepared carrying ester groups both within and between the branches. Unique alkenes and alcohols are cleaved from ester groups at the branching points, enabling determination of the branching architecture. PMID:18373231

  6. Multiple breath nitrogen washout: a feasible alternative to mass spectrometry.

    Directory of Open Access Journals (Sweden)

    Renee Jensen

    Full Text Available BACKGROUND: The lung clearance index (LCI, measured by multiple breath washout (MBW, reflects global ventilation inhomogeneity and is a sensitive marker of early cystic fibrosis (CF lung disease. Current evidence is based on a customized mass spectrometry system that uses sulfur hexafluoride (SF6 as a tracer gas, which is not widely available. Nitrogen (N2 washout may be better suited for clinical use and multi-center trials. OBJECTIVE: To compare the results obtained from a N2 washout system to those generated by the SF6 based system in healthy children and children with CF. METHODS: Children with CF were recruited from outpatient clinics; healthy children were recruited from the Research4Kids online portal. Participants performed MBWSF6 (Amis 2000, Innovision, Denmark and MBWN2 (ExhalyzerD, EcoMedics, Switzerland in triplicate, in random order on the same day. Agreement between systems was assessed by Bland-Altman plot. RESULTS: Sixty-two healthy and 61 children with CF completed measurements on both systems. In health there was good agreement between systems (limits of agreement -0.7 to 1.9; on average N2 produced higher values of LCI (mean difference 0.58 (95% CI 0.42 to 0.74. In CF the difference between systems was double that in health with a clear bias towards disproportionately higher LCIN2 compared to LCISF6 at higher mean values of LCI. CONCLUSION: LCIN2 and LCISF6 have similar discriminative power and intra-session repeatability but are not interchangeable. MBWN2 offers a valid new tool to investigate early obstructive lung disease in CF, but requires independent normative values.

  7. Biomedical applications of gas chromatography-mass spectrometry

    International Nuclear Information System (INIS)

    Gas chromatography coupled with mass-spectrometry (GC/MS) is a modern technique, which has very important applications in the biomedical area. A large number of qualitative and quantitative determinations of drugs, amino acids, vitamins, lipids, aroma compounds, important nutrients, herb extracts were developed. The extraction procedure is the first important step in the analytical work. The internal standard is usually added at the very begin ing of the quantitative work. The best one is the stable isotopic labeled compound, usually the analogue of the compound of interest. Stable isotopic internal standard or compounds from the same chemical class having boiling point close to that of the compound of interest were used. Quantitation needs very well selected standards and method validation. Some validated methods for the determination of drugs and some active principles in biological media are presented. Several preconcentration extraction procedures were used. The quantitative determinations by detection (GC-MS) were performed. Good validation parameters were obtained: precision, accuracy, linearity in the range of interest, good limit of detection and quantitation, selectivity and specificity. Chromatography was performed on a 5% phenyl methyl polysiloxane column (15 or 30 m x 0.25 mm I.D., 0.25 μm film thickness) operated in suitable temperature programs. Helium carrier gas flow was 1ml/min. Ionization was performed by electron impact and detection in scan or selected ion monitoring (SIM) modes. The methods provided high response linearity (mean r = 0.99), precision and accuracy (< 10% C.V.). Applications of the quantitative methods in biomedical area are described. (author)

  8. Advanced Burnup Method using Inductively Coupled Plasma Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Hilton, Bruce A. [Idaho Natonal Laboratory, P.O. Box 1625, Idaho Falls, ID 83415-6188 (United States); Glagolenko, Irina; Giglio, Jeffrey J.; Cummings, Daniel G

    2009-06-15

    Nuclear fuel burnup is a key parameter used to assess irradiated fuel performance, to characterize the dependence of property changes due to irradiation, and to perform nuclear materials accountability. For advanced transmutation fuels and high burnup LWR fuels that have multiple fission sources, the existing Nd-148 ASTM burnup determination practice requires input of calculated fission fractions (identifying the specific fission source isotope and neutron energy that yielded fission, e.g., U-235 from thermal neutron, U-238 from fast neutron) from computational neutronics analysis in addition to the measured concentration of a single fission product isotope. We report a novel methodology of nuclear fuel burnup determination, which is completely independent of model predictions and reactor types. The proposed method leverages the capability of Inductively Coupled Plasma Mass Spectrometry (ICP-MS) to quantify multiple fission products and actinides and uses these data to develop a system of burnup equations whose solution is the fission fractions. The fission fractions are substituted back in the equations to determine burnup. This technique requires high fidelity fission yield data, which is not uniformly available for all fission products. We discuss different means that can potentially assist in indirect determination, verification and improvement (refinement) of the ambiguously known fission yields. A variety of irradiated fuel samples are characterized by ICP-MS and the results used to test the advanced burnup method. The samples include metallic alloy fuel irradiated in fast spectrum reactor (EBRII) and metallic alloy in a tailored spectrum and dispersion fuel in the thermal spectrum of the Advanced Test Reactor (ATR). The derived fission fractions and measured burnups are compared with calculated values predicted by neutronics models. (authors)

  9. Advanced Burnup Method using Inductively Coupled Plasma Mass Spectrometry

    International Nuclear Information System (INIS)

    Nuclear fuel burnup is a key parameter used to assess irradiated fuel performance, to characterize the dependence of property changes due to irradiation, and to perform nuclear materials accountability. For advanced transmutation fuels and high burnup LWR fuels that have multiple fission sources, the existing Nd-148 ASTM burnup determination practice requires input of calculated fission fractions (identifying the specific fission source isotope and neutron energy that yielded fission, e.g., U-235 from thermal neutron, U-238 from fast neutron) from computational neutronics analysis in addition to the measured concentration of a single fission product isotope. We report a novel methodology of nuclear fuel burnup determination, which is completely independent of model predictions and reactor types. The proposed method leverages the capability of Inductively Coupled Plasma Mass Spectrometry (ICP-MS) to quantify multiple fission products and actinides and uses these data to develop a system of burnup equations whose solution is the fission fractions. The fission fractions are substituted back in the equations to determine burnup. This technique requires high fidelity fission yield data, which is not uniformly available for all fission products. We discuss different means that can potentially assist in indirect determination, verification and improvement (refinement) of the ambiguously known fission yields. A variety of irradiated fuel samples are characterized by ICP-MS and the results used to test the advanced burnup method. The samples include metallic alloy fuel irradiated in fast spectrum reactor (EBRII) and metallic alloy in a tailored spectrum and dispersion fuel in the thermal spectrum of the Advanced Test Reactor (ATR). The derived fission fractions and measured burnups are compared with calculated values predicted by neutronics models. (authors)

  10. Using accelerator mass spectrometry for radiocarbon dating of textiles

    Energy Technology Data Exchange (ETDEWEB)

    Jull, A.J.T.

    1997-12-01

    Since 1981 we have operated an NSF Accelerator Mass Spectrometry (AMS) Facility at the University of Arizona. The AMS method allows us to use very small samples of carbon, <1 mg for radiocarbon dating in contrast to earlier counting techniques. This has opened a vast array of applications of radiocarbon dating that was difficult to do before AMS because of sample size limitations of decay counting. Some of the many applications of AMS include paleoclimatic studies, archaeological research and the age of first settlement of North America by man, dating of art works and artifacts, fall times and terrestrial residence ages of meteorites, production of {sup 14}C in lunar samples by galactic and solar cosmic rays, studies of in situ {sup 14}C produced by cosmic ray spallation in rocks and ice, and studies of {sup 14}C in groundwater dissolved inorganic carbon and dissolved organic carbon. At our laboratory, we have also successfully applied AMS {sup 14}C to dating of many types of textiles, including silks and linens, art works, documents and artifacts fabricated from wood, parchment, ivory, and bone. The results for many of these samples are often important in questions of the authenticity of these works of art and artifacts. Our studies have encompassed a wide range of art works ranging from the Dead Sea Scrolls, the Shroud of Turin, and the Chinese silk trade to the works of Raphael, Rembrandt, and Picasso. Recently, we also dated the Vinland Map, a controversial document that shows the eastern coast of North America apparently using information from Viking voyages.

  11. Study of human microecology by mass spectrometry of microbial markers.

    Science.gov (United States)

    Osipov, G A; Verkhovtseva, N V

    2011-03-01

    This review shows that mass spectrometry of microbial markers (MSMM) permits simultaneous in situ determination of more than one hundred microbial fatty acids in clinical, biotechnological or environmental samples, without precultivation and use of biochemical test materials and primers. Unprecedented information about the quantity of anaerobes and uncultivated aerobes, as well as actinobacteria, yeasts, viruses and microscopic fungi in one sample has provided a full understanding of microbial etiology in clinical conditions of patients. The study of intestine dysbiosis has confirmed the hypothesis about the nosological specificity of changes in the intestinal microbiota. It has been proven that infectious processes are polymicrobial. Measurements have shown that anaerobes dominate in number and functional activities in inflammation. The division of microbes into pathogenic and non- pathogenic is artificial. All microbes living in a human body simultaneously stay in both forms. Lactobacilli and bifidobacteria appear as agents of septic conditions and endocarditis. МSММ data confirm that anaerobes of Clostridium, Eubacterium, Propionibacterium, as well as actinobacteria of Streptomyces, Nocardia, Rhodococcus are mixed infection dominants. The data testify translocation of these microbes in inflammation loci from the intestine. Quantitative comparison of concentration of markers in the inflamed organ and blood proves reproduction of microorganisms in this locus. The current hypothesis is confirmed that the goal of translocation is not only infection, but also a biofilm formation similar to intestines, which stimulate local immunity, protection from local pathogens and restoration of the damaged tissues. Quantification using GC-MS revealed that the influence of antibiotics on the normal intestine's microbiota are not as dramatic as believed. Growth-promoting effects are the most important benefits of probiotic applications. The probiotic essence is not the

  12. Analytical conditions for field ionization mass spectrometry of diesel fuel

    Energy Technology Data Exchange (ETDEWEB)

    Tadao Ogawa [Toyota Central R& amp; D Labs., Inc., Aichi-ken (Japan). Materials Analysis and Evaluation Division

    2005-11-01

    Field ionization mass spectrometry (FIMS) was investigated to establish a method for clarifying the compositions of hydrocarbons in diesel fuels. Firstly, the influences of reservoir temperature, ion source temperature, emitter current, cathode voltage and ion focusing mode on ion intensities and double bond equivalence value (DBE) distributions were examined to define the analytical conditions for obtaining almost the same carbon number distribution of n-paraffins (DBE=0) as that obtained by gas chromatography. Secondly, the origin of the memory background and the measures to minimize it were examined to obtain the ion intensities of high reproducibility. As a result, variation coefficients of less than 6.4 and 5.1% were obtained for the ion intensity of each hydrocarbon and the sums of the ion intensities of the hydrocarbons with the same DBE, respectively. Finally, two fuels, which were similar in H/C but considerably different in the backend fraction at a distillation temperature of 290{sup o}C (R{sub 290}), were analyzed by FIMS established in this study, to explain the reasons why these fuels yielded nearly the same particulate emissions. FIMS results showed that a fuel with low R{sub 290} consisted of low carbon number aliphatic hydrocarbons and high carbon number aromatic hydrocarbons, both of which have low inflammability. The fuel was found to yield more HC emission than another fuel with high R{sub 290}. The amount of the particulate emission was larger than that expected from R{sub 290}. 14 refs., 14 figs., 3 tabs.

  13. Reaction products in mass spectrometry elucidated with infrared spectroscopy.

    Science.gov (United States)

    Polfer, Nick C; Oomens, Jos

    2007-08-01

    Determining the structure and dynamics of large biologically relevant molecules is one of the key challenges facing biology. Although X-ray crystallography (XRD) and nuclear magnetic resonance (NMR) yield accurate structural information, they are of limited use when sample quantities are low. Mass spectrometry (MS) on the other hand has been very successful in analyzing biological molecules down to atto-mole quantities and has hence begun to challenge XRD and NMR as the key technology in the life sciences. This trend has been further assisted by the development of MS techniques that yield structural information on biomolecules. Of these techniques, collision-induced dissociation (CID) and hydrogen/deuterium exchange (HDX) are among the most popular. Despite advances in applying these techniques, little direct experimental evidence had been available until recently to verify their proposed underlying reaction mechanisms. The possibility to record infrared spectra of mass-selected molecular ions has opened up a novel avenue in the structural characterization of ions and their reaction products. On account of its high pulse energies and wide wavelength tunability, the free electron laser for infrared experiments (FELIX) at FOM Rijnhuizen has been shown to be ideally suited to study trapped molecular ions with infrared photo-dissociation spectroscopy. In this paper, we review recent experiments in our laboratory on the infrared spectroscopic characterization of reaction products from CID and HDX, thereby corroborating some of the reaction mechanisms that have been proposed. In particular, it is shown that CID gives rise to linear fragment ion structures which have been proposed for some time, but also yields fully cyclical ring structures. These latter structures present a possible challenge for using tandem MS in the sequencing of peptides/proteins, as they can lead to a scrambling of the amino acid sequence information. In gas-phase HDX of an amino acid it is shown

  14. Real Time Online Correction of Mass Shifts and Intensity Fluctuations in Extractive Electrospray Ionization Mass Spectrometry.

    Science.gov (United States)

    Tian, Yong; Yu, Miao; Chen, Jian; Liu, Chunxiao; Shi, Jianbo; Chen, Huanwen; Jiang, Guibin

    2015-12-15

    Real time online calibration of mass shift and intensity fluctuation to improve the accuracy of measurements for identification and quantitation in trace mass spectrometric analysis was demonstrated using extractive electrospray ionization mass spectrometry (EESI-MS). The signals of authentic compounds (e.g., lysine (Lys), proline (Pro), and histidine (His)) spiked into the extractive solution for the EESI process were used as the references to calibrate the signal of analytes (e.g., methionine (Met)) in the untreated sample solution. The intensity of the analyte signal was recorded simultaneously with the reference signals. The analyte signals at a given time point were calibrated on the basis of these correlation factors and real time signal response of the reference. The calibrated signal of Met at 10 μg L(-1) was improved with a better signal-to-noise ratio (S/N from 2.3 to 4.3), better linearity (R(2) from 0.9758 to 0.9980), and reduced relative standard deviation (RSD from 9.8% to 6.0%). The shift of mass-to-charge ratio of Met signal between the detected and theoretical values was decreased from 247 ± 133 to -7 ± 167 ppm for 50 min of detection using a linear ion trap mass analyzer and was reduced from -0.27 ± 0.60 to -0.12 ± 0.23 ppm for 50 min of detection using an Orbitrap mass analyzer (P = 95%). This method has been validated using a certified standard amino acids solution (GBW(E)100062) and applied for quantitative detection of amino acids in chicken feed, urine, nutritional drink, and facial mask samples, showing that the method is useful to improve the accuracy of mass spectrometric analysis. PMID:26595410

  15. Multi photon ionization mass spectrometry of carbamate pesticides, herbicides and fungicides

    International Nuclear Information System (INIS)

    Pesticides and herbicides are useful for a wide range of applications today. The determination of these substances either in the pure form or in complex matrices is of high analytical interest. Especially since these substances can by found in every day products. The combination of multi photon ionization (MUPI) and time of flight laser mass spectrometry may be a powerful tool for achieving fast well interpretable mass spectra for analytical purposes. In this paper we will discuss the mass spectra of several pesticides and herbicides accessed by MUPI-time-of-flight mass spectrometry. The influence of the laser pulse duration on the mass spectra are discussed

  16. Identification of proteins associated with lipid rafts of Jurkat T-cell line by mass spectrometry

    Czech Academy of Sciences Publication Activity Database

    Pompach, Petr; Man, Petr; Novák, Petr; Fišerová, Anna; Havlíček, Vladimír; Bezouška, Karel

    2004, 115a. [BioScience 2004 from molecules to organisms. Glasgow (GB), 18.07.2004-22.07.2004] Institutional research plan: CEZ:AV0Z5020903 Keywords : mass spectrometry * lipid rafts Subject RIV: EE - Microbiology, Virology

  17. Quantitation of multisite EGF receptor phosphorylation using mass spectrometry and a novel normalization approach

    DEFF Research Database (Denmark)

    Erba, Elisabetta Boeri; Matthiesen, Rune; Bunkenborg, Jakob; Schulze, Waltraud X; Di Stefano, Paola; Cabodi, Sara; Tarone, Guido; Defilippi, Paola; Jensen, Ole N

    2007-01-01

    Using stable isotope labeling and mass spectrometry, we performed a sensitive, quantitative analysis of multiple phosphorylation sites of the epidermal growth factor (EGF) receptor. Phosphopeptide detection efficiency was significantly improved by using the tyrosine phosphatase inhibitor sodium...

  18. Developments in mass spectrometry for the analysis of complex protein mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Khalsa-Moyers, Gurusahai K [ORNL; McDonald, W Hayes [ORNL

    2006-01-01

    State-of-the-art proteomics workflows involve multiple interdependent steps: sample preparation, protein peptide separation, mass spectrometry and data analysis.While improvements in any of these steps can increase the depth and breadth of analysis, advances in mass spectrometry have catalysed many of the most important developments. We discuss common classes of mass analysers and how these analysers are put together to produce some of the most popular mass spectrometry platforms.The capabilities of these platforms determine how they can be used in a variety of common proteomic strategies and, in turn, what types of biological questions can be addressed. Moving forward, powerful new hybridmass spectrometers and application of emerging types of tandemmass spectrometry promise that our ability to analyse complex mixtures of proteins will continue to advance.

  19. The updated bottom up solution applied to atmospheric pressure photoionization and electrospray ionization mass spectrometry

    Science.gov (United States)

    The Updated Bottom Up Solution (UBUS) was recently applied to atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) of triacylglycerols (TAGs). This report demonstrates that the UBUS applies equally well to atmospheric pressure photoionization (APPI) MS and to electrospray ionizatio...

  20. Determination of ultra-low levels of uranium using resonance ionization mass spectrometry

    International Nuclear Information System (INIS)

    The determination of isotopic composition of actinides like U and Pu is important, due to their distribution in the environment as a result of nuclear weapons testing, fuel reprocessing, reactor operations and to a smaller extent from accidental releases. The analytical methods like fission track analysis (FTA), thermal ionization mass spectrometry (TIMS), inductively coupled plasma mass spectrometry (ICPMS) and resonance ionization mass spectrometry (RIMS) have evolved as sensitive techniques. Resonance Ionization Mass Spectrometry yields rapid isotopic signature data for material containing actinides without requiring time-consuming sample preparation and chemical separation procedures. In this paper, authors presented the details of the methodology and results for low-level detection of uranium using RIMS