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Sample records for ionization methods final

  1. Analytical instruments, ionization sources, and ionization methods

    DOEpatents

    Atkinson, David A.; Mottishaw, Paul

    2006-04-11

    Methods and apparatus for simultaneous vaporization and ionization of a sample in a spectrometer prior to introducing the sample into the drift tube of the analyzer are disclosed. The apparatus includes a vaporization/ionization source having an electrically conductive conduit configured to receive sample particulate which is conveyed to a discharge end of the conduit. Positioned proximate to the discharge end of the conduit is an electrically conductive reference device. The conduit and the reference device act as electrodes and have an electrical potential maintained between them sufficient to cause a corona effect, which will cause at least partial simultaneous ionization and vaporization of the sample particulate. The electrical potential can be maintained to establish a continuous corona, or can be held slightly below the breakdown potential such that arrival of particulate at the point of proximity of the electrodes disrupts the potential, causing arcing and the corona effect. The electrical potential can also be varied to cause periodic arcing between the electrodes such that particulate passing through the arc is simultaneously vaporized and ionized. The invention further includes a spectrometer containing the source. The invention is particularly useful for ion mobility spectrometers and atmospheric pressure ionization mass spectrometers.

  2. Chemical protection against ionizing radiation. Final report

    SciTech Connect

    Livesey, J.C.; Reed, D.J.; Adamson, L.F.

    1984-08-01

    The scientific literature on radiation-protective drugs is reviewed. Emphasis is placed on the mechanisms involved in determining the sensitivity of biological material to ionizing radiation and mechanisms of chemical radioprotection. In Section I, the types of radiation are described and the effects of ionizing radiation on biological systems are reviewed. The effects of ionizing radiation are briefly contrasted with the effects of non-ionizing radiation. Section II reviews the contributions of various natural factors which influence the inherent radiosensitivity of biological systems. Inlcuded in the list of these factors are water, oxygen, thiols, vitamins and antioxidants. Brief attention is given to the model describing competition between oxygen and natural radioprotective substances (principally, thiols) in determining the net cellular radiosensitivity. Several theories of the mechanism(s) of action of radioprotective drugs are described in Section III. These mechanisms include the production of hypoxia, detoxication of radiochemical reactive species, stabilization of the radiobiological target and the enhancement of damage repair processes. Section IV describes the current strategies for the treatment of radiation injury. Likely areas in which fruitful research might be performed are described in Section V. 495 references.

  3. Ionized Gaseous Nebulae Abundance Determination from the Direct Method

    NASA Astrophysics Data System (ADS)

    Pérez-Montero, Enrique

    2017-04-01

    This tutorial explains the procedure used to analyze an optical emission-line spectrum produced by a nebula ionized by massive star formation. Particularly, the methodology used to derive physical properties, such as electron density and temperature, and the ionic abundances of the most representative elements whose emission lines are present in the optical spectrum is described. The main focus is on the direct method, which is based on the measurement of the electron temperature to derive the abundances, given that the ionization and thermal equilibrium of the ionized gas is dominated by the metallicity. The ionization correction factors used to obtain total abundances from the abundances of some of their ions are also given. Finally, some strong-line methods to derive abundances are described. Such methods are used when no estimation of the temperature can be derived, but which can be consistent with the direct method if they are empirically calibrated.

  4. Method and apparatus to monitor a beam of ionizing radiation

    DOEpatents

    Blackburn, Brandon W.; Chichester, David L.; Watson, Scott M.; Johnson, James T.; Kinlaw, Mathew T.

    2015-06-02

    Methods and apparatus to capture images of fluorescence generated by ionizing radiation and determine a position of a beam of ionizing radiation generating the fluorescence from the captured images. In one embodiment, the fluorescence is the result of ionization and recombination of nitrogen in air.

  5. Matrix assisted ionization in vacuum, a sensitive and widely applicable ionization method for mass spectrometry.

    PubMed

    Trimpin, Sarah; Inutan, Ellen D

    2013-05-01

    An astonishingly simple new method to produce gas-phase ions of small molecules as well as proteins from the solid state under cold vacuum conditions is described. This matrix assisted ionization vacuum (MAIV) mass spectrometry (MS) method produces multiply charged ions similar to those that typify electrospray ionization (ESI) and uses sample preparation methods that are nearly identical to matrix-assisted laser desorption/ionization (MALDI). Unlike these established methods, MAIV does not require a laser or voltage for ionization, and unlike the recently introduced matrix assisted ionization inlet method, does not require added heat. MAIV-MS requires only introduction of a crystalline mixture of the analyte incorporated with a suitable small molecule matrix compound such as 3-nitrobenzonitrile directly to the vacuum of the mass spectrometer. Vacuum intermediate pressure MALDI sources and modified ESI sources successfully produce ions for analysis by MS with this method. As in ESI-MS, ion formation is continuous and, without a laser, little chemical background is observed. MAIV, operating from a surface offers the possibility of significantly improved sensitivity relative to atmospheric pressure ionization because ions are produced in the vacuum region of the mass spectrometer eliminating losses associated with ion transfer from atmospheric pressure to vacuum. Mechanistic aspects and potential applications for this new ionization method are discussed.

  6. Microliter-sized ionization device and method

    NASA Technical Reports Server (NTRS)

    Cohen, Martin J. (Inventor); Simac, Robert M. (Inventor); Wernlund, Roger F. (Inventor)

    1999-01-01

    A microliter-sized metastable ionization device with a cavity, a sample gas inlet, a corona gas inlet and a gas outlet. A first electrode has a hollow and disposed in the cavity and is in fluid communication with the sample gas inlet. A second electrode is in fluid communication with the corona gas inlet and is disposed around the first electrode adjacent the hollow end thereof. A gap forming means forms a corona gap between the first and second electrodes. A first power supply is connected to the first electrode and the second power supply is connected to the second electrode for generating a corona discharge across the corona gap. A collector has a hollow end portion disposed in the cavity which is in fluid communications with the gas outlet for the outgassing and detection of ionized gases. The first electrode can be a tubular member aligned concentrically with a cylindrical second electrode. The gap forming means can be in annular disc projecting radially inwardly from the cylindrical second electrode. The collector can have a tubular opening aligned coaxially with the first electrode and has an end face spaced a short distance from an end face of the first electrode forming a small active volume therebetween for the generation and detection of small quantities of trace analytes.

  7. High resolution resonance ionization imaging detector and method

    DOEpatents

    Winefordner, James D.; Matveev, Oleg I.; Smith, Benjamin W.

    1999-01-01

    A resonance ionization imaging device (RIID) and method for imaging objects using the RIID are provided, the RIID system including a RIID cell containing an ionizable vapor including monoisotopic atoms or molecules, the cell being positioned to intercept scattered radiation of a resonance wavelength .lambda..sub.1 from the object which is to be detected or imaged, a laser source disposed to illuminate the RIID cell with laser radiation having a wavelength .lambda..sub.2 or wavelengths .lambda..sub.2, .lambda..sub.3 selected to ionize atoms in the cell that are in an excited state by virtue of having absorbed the scattered resonance laser radiation, and a luminescent screen at the back surface of the RIID cell which presents an image of the number and position of charged particles present in the RIID cell as a result of the ionization of the excited state atoms. The method of the invention further includes the step of initially illuminating the object to be detected or imaged with a laser having a wavelength selected such that the object will scatter laser radiation having the resonance wavelength .lambda..sub.1.

  8. Kinetic correlation in the final-state wave function in photo-double-ionization of He

    SciTech Connect

    Otranto, S.; Garibotti, C. R.

    2003-06-01

    We evaluate the triply differential cross section (TDCS) for photo-double-ionization of helium. We use a final continuum wave function which correlates the motion of the three particles, through an expansion in products of two-body Coulomb functions. This function satisfies a set of appropriate physical conditions in the coalescence points, in addition to the correct asymptotic behavior condition. We analyze the effect of this correlation in the TDCS and compare our results with experimental data.

  9. Systems and methods for cylindrical hall thrusters with independently controllable ionization and acceleration stages

    DOEpatents

    Diamant, Kevin David; Raitses, Yevgeny; Fisch, Nathaniel Joseph

    2014-05-13

    Systems and methods may be provided for cylindrical Hall thrusters with independently controllable ionization and acceleration stages. The systems and methods may include a cylindrical channel having a center axial direction, a gas inlet for directing ionizable gas to an ionization section of the cylindrical channel, an ionization device that ionizes at least a portion of the ionizable gas within the ionization section to generate ionized gas, and an acceleration device distinct from the ionization device. The acceleration device may provide an axial electric field for an acceleration section of the cylindrical channel to accelerate the ionized gas through the acceleration section, where the axial electric field has an axial direction in relation to the center axial direction. The ionization section and the acceleration section of the cylindrical channel may be substantially non-overlapping.

  10. [Method on ozone generation with strong ionization discharge].

    PubMed

    Zhang, Z; Han, H; Chu, Q; Bai, X

    2001-03-01

    This paper presents the formed methods of strong ionization discharge of dielectric barrier and plasma chemical reaction process of ozone generation. Ozone combination and decomposition are controlled by electric field intensity and electron energy. Therefore, new technologies with thinner dielectric layers (230 microns) of model alpha Al2O3 and narrow discharge gap (110 microns) are introduced, and strong ionization discharge is gained which reduced field (E) and electron average energy are more than 400Td and 10 eV respectively. Ozone concentration reaches to 200 g/m3 and ozone producing efficiency is 100 g/(kW.h). Ozone generator of big yield and miniaturization with module assembled method is realized.

  11. Capillary atmospheric pressure electron capture ionization (cAPECI): a highly efficient ionization method for nitroaromatic compounds.

    PubMed

    Derpmann, Valerie; Mueller, David; Bejan, Iustinian; Sonderfeld, Hannah; Wilberscheid, Sonja; Koppmann, Ralf; Brockmann, Klaus J; Benter, Thorsten

    2014-03-01

    We report on a novel method for atmospheric pressure ionization of compounds with elevated electron affinity (e.g., nitroaromatic compounds) or gas phase acidity (e.g., phenols), respectively. The method is based on the generation of thermal electrons by the photo-electric effect, followed by electron capture of oxygen when air is the gas matrix yielding O2(-) or of the analyte directly with nitrogen as matrix. Charge transfer or proton abstraction by O2(-) leads to the ionization of the analytes. The interaction of UV-light with metals is a clean method for the generation of thermal electrons at atmospheric pressure. Furthermore, only negative ions are generated and neutral radical formation is minimized, in contrast to discharge- or dopant assisted methods. Ionization takes place inside the transfer capillary of the mass spectrometer leading to comparably short transfer times of ions to the high vacuum region of the mass spectrometer. This strongly reduces ion transformation processes, resulting in mass spectra that more closely relate to the neutral analyte distribution. cAPECI is thus a soft and selective ionization method with detection limits in the pptV range. In comparison to standard ionization methods (e.g., PTR), cAPECI is superior with respect to both selectivity and achievable detection limits. cAPECI demonstrates to be a promising ionization method for applications in relevant fields as, for example, explosives detection and atmospheric chemistry.

  12. Immersed interface methods. Final report

    SciTech Connect

    LeVeque, R.J.; Adams, L.M.; Bube, K.P.

    1996-11-01

    Cartesian grid methods encompass a wide variety of techniques used to solve partial differential equations in more than one space dimension on uniform Cartesian grids even when the underlying geometry is complex and not aligned with the grid. The authors` groups work on Immersed Interface Methods (IIM) was originally motivated by the desire to understand and improve the ``Immersed Boundary Method``, developed by Charles Peskin to solve incompressible Navier-Stokes equations in complicated geometries with moving elastic boundaries. This report briefly discusses the development of the Immersed Interface Methods and gives examples of application of the method in solving several partial differential equations.

  13. Atmospheric-pressure laser ionization: a novel ionization method for liquid chromatography/mass spectrometry.

    PubMed

    Constapel, M; Schellenträger, M; Schmitz, O J; Gäb, S; Brockmann, K J; Giese, R; Benter, Th

    2005-01-01

    We report on the development of a new laser-ionization (LI) source operating at atmospheric pressure (AP) for liquid chromatography/mass spectrometry (LC/MS) applications. APLI is introduced as a powerful addition to existing AP ionization techniques, in particular atmospheric-pressure chemical ionization (APCI), electrospray ionization (ESI), and atmospheric pressure photoionization (APPI). Replacing the one-step VUV approach in APPI with step-wise two-photon ionization strongly enhances the selectivity of the ionization process. Furthermore, the photon flux during an ionization event is drastically increased over that of APPI, leading to very low detection limits. In addition, the APLI mechanism generally operates primarily directly on the analyte. This allows for very efficient ionization even of non-polar compounds such as polycyclic aromatic hydrocarbons (PAHs). The APLI source was characterized with a MicroMass Q-Tof Ultima II analyzer. Both the effluent of an HPLC column containing a number of PAHs (benzo[a]pyrene, fluoranthene, anthracene, fluorene) and samples from direct syringe injection were analyzed with respect to selectivity and sensitivity of the overall system. The liquid phase was vaporized by a conventional APCI inlet (AP probe) with the corona needle removed. Ionization was performed through selective resonance-enhanced multi-photon ionization schemes using a high-repetition-rate fixed-frequency excimer laser operating at 248 nm. Detection limits well within the low-fmol regime are readily obtained for various aromatic hydrocarbons that exhibit long-lived electronic states at the energy level of the first photon. Only molecular ions are generated at the low laser fluxes employed ( approximately 1 MW/cm(2)). The design and performance of the laser-ionization source are presented along with results of the analysis of aromatic hydrocarbons.

  14. Computerized accounting methods. Final report

    SciTech Connect

    1994-12-31

    This report summarizes the results of the research performed under the Task Order on computerized accounting methods in a period from 03 August to 31 December 1994. Computerized nuclear material accounting methods are analyzed and evaluated. Selected methods are implemented in a hardware-software complex developed as a prototype of the local network-based CONMIT system. This complex has been put into trial operation for test and evaluation of the selected methods at two selected ``Kurchatov Institute`` Russian Research Center (``KI`` RRC) nuclear facilities. Trial operation is carried out since the beginning of Initial Physical Inventory Taking in these facilities that was performed in November 1994. Operation of CONMIT prototype system was demonstrated in the middle of December 1994. Results of evaluation of CONMIT prototype system features and functioning under real operating conditions are considered. Conclusions are formulated on the ways of further development of computerized nuclear material accounting methods. The most important conclusion is a need to strengthen computer and information security features supported by the operating environment. Security provisions as well as other LANL Client/Server System approaches being developed by Los Alamos National Laboratory are recommended for selection of software and hardware components to be integrated into production version of CONMIT system for KI RRC.

  15. Ionization detector, electrode configuration and single polarity charge detection method

    DOEpatents

    He, Zhong

    1998-01-01

    An ionization detector, an electrode configuration and a single polarity charge detection method each utilize a boundary electrode which symmetrically surrounds first and second central interlaced and symmetrical electrodes. All of the electrodes are held at a voltage potential of a first polarity type. The first central electrode is held at a higher potential than the second central or boundary electrodes. By forming the first and second central electrodes in a substantially interlaced and symmetrical pattern and forming the boundary electrode symmetrically about the first and second central electrodes, signals generated by charge carriers are substantially of equal strength with respect to both of the central electrodes. The only significant difference in measured signal strength occurs when the charge carriers move to within close proximity of the first central electrode and are received at the first central electrode. The measured signals are then subtracted and compared to quantitatively measure the magnitude of the charge.

  16. Ionization detector, electrode configuration and single polarity charge detection method

    DOEpatents

    He, Z.

    1998-07-07

    An ionization detector, an electrode configuration and a single polarity charge detection method each utilize a boundary electrode which symmetrically surrounds first and second central interlaced and symmetrical electrodes. All of the electrodes are held at a voltage potential of a first polarity type. The first central electrode is held at a higher potential than the second central or boundary electrodes. By forming the first and second central electrodes in a substantially interlaced and symmetrical pattern and forming the boundary electrode symmetrically about the first and second central electrodes, signals generated by charge carriers are substantially of equal strength with respect to both of the central electrodes. The only significant difference in measured signal strength occurs when the charge carriers move to within close proximity of the first central electrode and are received at the first central electrode. The measured signals are then subtracted and compared to quantitatively measure the magnitude of the charge. 10 figs.

  17. A mobile mass spectrometer for comprehensive on-line analysis of trace and bulk components of complex gas mixtures: parallel application of the laser-based ionization methods VUV single-photon ionization, resonant multiphoton ionization, and laser-induced electron impact ionization.

    PubMed

    Mühlberger, F; Zimmermann, R; Kettrup, A

    2001-08-01

    A newly developed compact and mobile time-of-flight mass spectrometer (TOFMS) for on-line analysis and monitoring of complex gas mixtures is presented. The instrument is designed for a (quasi-)simultaneous application of three ionization techniques that exhibit different ionization selectivities. The highly selective resonance-enhanced multiphoton ionization (REMPI) technique, using 266-nm UV laser pulses, is applied for selective and fragmentationless ionization of aromatic compounds at trace levels (parts-per-billion volume range). Mass spectra obtained using this technique show the chemical signature solely of monocyclic (benzene, phenols, etc.) and polycyclic (naphthalene, phenathrene, indol, etc.) aromatic species. Furthermore, the less selective but still fragmentationless single photon ionization (SPI) technique with 118-nm VUV laser pulses allows the ionization of compounds with an ionization potential below 10.5 eV. Mass spectra obtained using this technique show the profile of most organic compounds (aliphatic and aromatic species, like nonane, acetaldehyde, or pyrrol) and some inorganic compounds (e.g., ammonia, nitrogen monoxide). Finally, the nonselective ionization technique laser-induced electron-impact ionization (LEI) is applied. However, the sensitivity of the LEI technique is adjusted to be fairly low. Thus, the LEI signal in the mass spectra gives information on the inorganic bulk constituents of the sample (i.e., compounds such as water, oxygen, nitrogen, and carbon dioxide). Because the three ionization methods (REMPI, SPI, LEI) exhibit largely different ionization selectivities, the isolated application of each method alone solely provides specific mass spectrometric information about the sample composition. Special techniques have been developed and applied which allow the quasi-parallel use of all three ionization techniques for on-line monitoring purposes. Thus, a comprehensive characterization of complex samples is feasible jointly using

  18. Evaluation of Gas-filled Ionization Chamber Method for Radon Measurement at Two Reference Facilities

    SciTech Connect

    Ishikawa, Tetsuo; Tokonami, Shinji; Kobayashi, Yosuke; Sorimachi, Atsuyuki; Yatabe, Yoshinori; Miyahara, Nobuyuki

    2008-08-07

    For quality assurance, gas-filled ionization chamber method was tested at two reference facilities for radon calibration: EML (USA) and PTB (Germany). Consequently, the radon concentrations estimated by the ionization chamber method were in good agreement with the reference radon concentrations provided by EML as well as PTB.

  19. Metal ion complexation by ionizable crown ethers. Final report, January 1, 1988--June 30, 1994

    SciTech Connect

    Bartsch, R.A.

    1994-12-31

    During the report period a variety of new lipophilic ionizable crown ethers with pendent proton-ionizable groups has been synthesized. The ligands possess one or more ionizable group (carboxylic acid, phosphonic acid monoethyl ester, para-nitrophenol, phosphonic acid) attached to crown ether, monoazacrown ether or diazacrown ether frameworks. These novel chelating agents have either pendent or inward-facing proton-ionizable groups. Such lipophilic proton-ionizable crown ethers are designed for use in multiphase metal ion separations (solvent extraction, liquid membrane transport). In addition a series of proton-ionizable crown ethers without lipophilic groups was prepared to study how structural variations within the ligand influence metal ion complexation in homogeneous media as assessed by NMR spectroscopy or titration calorimetry. A third class of new metal ion-complexing agents is a series of lipophilic acyclic polyether dicarboxylic acids. Competitive solvent extractions of alkali metal and alkaline earth cations and of the mixed species have been conducted to reveal the influence of ring size, nature and attachment site of the lipophilic group, sidearm length, and proton-ionizable group identity and location upon the selectivity and efficiency of metal ion complexation. In addition to such studies of structural variation within the lipophilic proton-ionizable crown ether, the effect of changing the organic solvent and variation of the stripping conditions have been assessed. The influence of structural variations within lipophilic acyclic polyether dicarboxylic acids upon competitive solvent extraction of alkaline earth cations has been probed. Also a new chromogenic, di-ionizable crown ether with extremely high selectivity for Hg{sup 2+} has been discovered.

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

    DOEpatents

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

    2010-10-19

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

  1. Evaluation of the computational methods for electron-impact total ionization cross sections: Fluoromethanes as benchmarks

    NASA Astrophysics Data System (ADS)

    Torres, I.; Martínez, R.; Sánchez Rayo, M. N.; Castaño, F.

    2001-09-01

    The experimental electron-impact total ionization cross sections (TICSs, ICSs) of CF4, CHF3, CH2F2, and CH3F fluoromethanes reported so far and a new set of data obtained with a linear double focusing time-of-flight mass spectrometer have been compared with the ab initio and (semi)empirical based ICS available methods. TICSs computational methods include: two approximations of the binary-encounter dipole (BED) referred to hereafter as Kim (Kim-BEB) and Khare (Khare-BEB) methods, the Deutsch and Märk (DM) formalism, also requiring atomic and molecular ab initio information, the modified additivity rule (MAR), and the Harland and Vallance (HV) methods, both based on semiempirical or empirical correlations. The molecular ab initio information required by the Kim, Khare, and DM methods has been computed at a variety of quantum chemistry levels, with and without electron correlation and a comprehensive series of basis sets. The general conclusions are summarized as follows: the Kim method yields TICS in excellent agreement with the experimental method; the Khare method provides TICS very close to that of Kim at low electron-impact energies (<100 eV), but their Mott and Bethe contributions are noticeably different; in the Kim and Khare approximations the electron correlation methods improve the fittings to the experimental profiles in contrast with the large basis sets, that leads to poorer results; the DM formalism yields TICS profiles with shapes similar to the experimental and the BEB methods, but consistently lower and with the profiles maxima shifted towards lower incident electron energies; the MAR method supplies very good ICS profiles, between those of BEB and DM methods; finally, the empirical HV method provides rather poor fittings concomitant with the simplicity and the few empirical parameters used.

  2. Ionizing radiation post-curing of objects produced by stereolithography and other methods

    DOEpatents

    Howell, David H.; Eberle, Claude C.; Janke, Christopher J.

    2000-01-01

    An object comprised of a curable material and formed by stereolithography or another three-dimensional prototyping method, in which the object has undergone initial curing, is subjected to post-curing by ionizing radiation, such as an electron beam having a predetermined beam output energy, which is applied in a predetermined dosage and at a predetermined dose rate. The post-cured object exhibits a property profile which is superior to that which existed prior to the ionizing radiation post-curing.

  3. Inter-Individual Variability in Human Response to Low-Dose Ionizing Radiation, Final Report

    SciTech Connect

    Rocke, David

    2016-08-01

    In order to investigate inter-individual variability in response to low-dose ionizing radiation, we are working with three models, 1) in-vivo irradiated human skin, for which we have a realistic model, but with few subjects, all from a previous project, 2) ex-vivo irradiated human skin, for which we also have a realistic model, though with the limitations involved in keeping skin pieces alive in media, and 3) MatTek EpiDermFT skin plugs, which provides a more realistic model than cell lines, which is more controllable than human samples.

  4. Effects of ionizing radiation on the developing embryo and fetus: a review. Final report

    SciTech Connect

    Hoffman, D.A.; Felten, R.P.; Cyr, W.H.

    1981-08-01

    A general review of the literature dealing with effects of ionizing radiation on the developing embryo and fetus. Encompasses both experimental and epidemiological data based on the age of the organism at exposure, with major emphasis on exposure during pregnancy. An appendix presents this information in table format. This review consists of three main sections: experimental, genetic, and epidemiological. These sections are organized according to the age of the organism at the time of irradiation. Data are presented by period of development and endpoints observed. In addition to the individual section summaries, an overall summation is presented.

  5. INSTRUMENTS AND METHODS OF INVESTIGATION: Surface-ionization field mass-spectrometry studies of nonequilibrium surface ionization

    NASA Astrophysics Data System (ADS)

    Blashenkov, Nikolai M.; Lavrent'ev, Gennadii Ya

    2007-01-01

    The ionization of polyatomic molecules on tungsten and tungsten oxide surfaces is considered for quasiequilibrium or essentially nonequilibrium conditions (in the latter case, the term nonequilibrium surface ionization is used for adsorbate ionization). Heterogeneous reactions are supposed to proceed through monomolecular decay of polyatomic molecules or fragments of multimolecular complexes. The nonequilibrium nature of these reactions is established. The dependences of the current density of disordered ions on the surface temperature, electric field strength, and ionized particle energy distribution are obtained in analytical form. Heterogeneous dissociation energies, the ionization potentials of radicals, and the magnitude of reaction departure from equilibrium are determined from experimental data, as are energy exchange times between reaction products and surfaces, the number of molecules in molecular complexes, and the number of effective degrees of freedom in molecules and complexes. In collecting the data a new technique relying on surface-ionization field mass-spectrometry was applied.

  6. Validity boundary of orbital-free molecular dynamics method corresponding to thermal ionization of shell structure

    NASA Astrophysics Data System (ADS)

    Gao, Chang; Zhang, Shen; Kang, Wei; Wang, Cong; Zhang, Ping; He, X. T.

    2016-11-01

    With 6LiD as an example, we show that the applicable region of the orbital-free molecular dynamics (OFMD) method in a large temperature range is determined by the thermal ionization process of bound electrons in shell structures. The validity boundary of the OFMD method is defined roughly by the balance point of the average thermal energy of an electron and the ionization energy of the lowest localized electronic state. This theoretical proposition is based on the observation that the deviation of the OFMD method originates from its less accurate description to the charge density in partially ionized shells, as compared with the results of the extended first-principles molecular dynamics method, which well reproduces the charge density of shell structures.

  7. Method for the depth corrected detection of ionizing events from a co-planar grids sensor

    DOEpatents

    De Geronimo, Gianluigi; Bolotnikov, Aleksey E.; Carini, Gabriella

    2009-05-12

    A method for the detection of ionizing events utilizing a co-planar grids sensor comprising a semiconductor substrate, cathode electrode, collecting grid and non-collecting grid. The semiconductor substrate is sensitive to ionizing radiation. A voltage less than 0 Volts is applied to the cathode electrode. A voltage greater than the voltage applied to the cathode is applied to the non-collecting grid. A voltage greater than the voltage applied to the non-collecting grid is applied to the collecting grid. The collecting grid and the non-collecting grid are summed and subtracted creating a sum and difference respectively. The difference and sum are divided creating a ratio. A gain coefficient factor for each depth (distance between the ionizing event and the collecting grid) is determined, whereby the difference between the collecting electrode and the non-collecting electrode multiplied by the corresponding gain coefficient is the depth corrected energy of an ionizing event. Therefore, the energy of each ionizing event is the difference between the collecting grid and the non-collecting grid multiplied by the corresponding gain coefficient. The depth of the ionizing event can also be determined from the ratio.

  8. Improved gas chromatography-flame ionization detector analytical method for the analysis of epoxy fatty acids.

    PubMed

    Mubiru, Edward; Shrestha, Kshitij; Papastergiadis, Antonios; De Meulenaer, Bruno

    2013-11-29

    In this study an improved method for analysis of epoxy fatty acids is reported. Data obtained from analysis of polar fatty acids has previously been presented, but due to the high number of compounds that co-elute in the polar fraction, the resultant chromatograms are complex which may lead to compromising the accuracy of the data. A three steps separation of fatty acid methyl esters (FAMEs) by solid-phase extraction (SPE) on a silica gel column to remove hydroxy fatty acid interferences was proposed. This approach is opposed to a two step separation procedure that has been often used to prevent analytical interferences caused by non-altered fatty acids. A gas chromatograph with a flame ionization detector (GC-FID) equipped with a polar CP-Sil 88™ column was used. Quantification was based on the use of methyl nonadecanoate (C19:0), as an internal standard. Individual mono epoxy fatty acids were well separated without co-eluting compounds. The optimized method was finally applied to screen epoxy fatty acids in 37 fresh oil samples. Results obtained for the total epoxy fatty acids were in the range 0.03-2mgg(-1) of oil with repeatability coefficient of variation (CV) ranging from 2.8 to 9.9% for duplicate analysis showing that the results obtained are repeatable.

  9. Method for loading lipsomes with ionizable phosphorylated hydrophobic compounds, pharmaceutical preparations and a method for administering the preparations

    DOEpatents

    Mehlhorn, R.J.

    1998-10-27

    A method of entrapping ionizable compounds, preferably phosphorylated hydrophobic compounds, into liposomes having transmembrane gradients is disclosed. The procedures involve forming liposomes in an acidic medium or a basic medium, adding to the acidic medium a cationic compound or to the basic medium an anionic compound and then adding a base to the cationic-containing medium or an acid to the anionic-containing medium, thereby inducing the ionizable compound into the liposomes` internal aqueous phase. The compound-entrapped liposomes prepared in accordance with the disclosed methods may be used as pharmaceutical preparations. Methods of administering such pharmaceutical preparations are also disclosed. 2 figs.

  10. Method for loading lipsomes with ionizable phosphorylated hydrophobic compounds, pharmaceutical preparations and a method for administering the preparations

    DOEpatents

    Mehlhorn, Rolf Joachim

    1998-10-27

    A method of entrapping ionizable compounds, preferably phosphorylated hydrophobic compounds, into liposomes having transmembrane gradients is disclosed. The procedures involve forming liposomes in an acidic medium or a basic medium, adding to the acidic medium a cationic compound or to the basic medium an anionic compound and then adding a base to the cationic-containing medium or an acid to the anionic-containing medium, thereby inducing the ionizable compound into the liposomes' internal aqueous phase. The compound-entrapped liposomes prepared in accordance with the disclosed methods may be used as pharmaceutical preparations. Methods of administering such pharmaceutical preparations are also disclosed.

  11. Method of isotope separation by chemi-ionization

    DOEpatents

    Wexler, Sol; Young, Charles E.

    1977-05-17

    A method for separating specific isotopes present in an isotopic mixture by aerodynamically accelerating a gaseous compound to form a jet of molecules, and passing the jet through a stream of electron donor atoms whereby an electron transfer takes place, thus forming negative ions of the molecules. The molecular ions are then passed through a radiofrequency quadrupole mass filter to separate the specific isotopes. This method may be used for any compounds having a sufficiently high electron affinity to permit negative ion formation, and is especially useful for the separation of plutonium and uranium isotopes.

  12. Criteria for the operation of federally-owned secondary calibration laboratories (ionizing radiation). Special pub. (Final)

    SciTech Connect

    Eisenhower, E.H.

    1991-08-01

    The document contains standards of performance for laboratories that calibrate instrumentation used to measure ionizing radiation. Such standards are useful for the development of a secondary level of calibration laboratories that can provide a high-quality link between the National Institute of Standards and Technology and those who make routine measurements at the field level. The standards may also be used as criteria on which a decision is based regarding accreditation of a particular laboratory. They were developed by representatives of federally-owned laboratories that perform calibrations of the type addressed by the document. The first major part contains general criteria that must be satisfied by all laboratories seeking accreditation. It includes requirements relating to management and staff, physical aspects of the laboratory, calibrations facilities and equipment, operational procedures, accuracy and quality assurance, and records and reports. Five subsequent major parts establish criteria for calibration of survey instruments, irradiation of personnel dosimeters, calibration of sources, calibration of instruments for diagnostic levels, and calibration of reference-class instruments. The types of radiation covered include gamma rays, x rays, beta particles, neutrons, and alpha particles. An appendix describes the proficiency tests administered by NIST to secondary laboratories as a prerequisite for their accreditation.

  13. Genetic variation in resistance to ionizing radiation. Final report, January 1, 1990--December 31, 1992

    SciTech Connect

    Ayala, F.J.

    1992-12-31

    Results of an investigation of the gene coding for Cu, Zn superoxide dismutase (Sod) in Drosophila melanogaster seeking to understand the enzyme`s role in cell protection against ionizing radiation are reported. Components of the investigation include molecular characterization of the gene; measuring the response of different genotypes to increasing levels of radiation; and investigation of the processes that maintain the Sod polymorphism in populations. While two alleles, S and F, are commonly found at the Sod locus in natural populations of D. melanogaster we have isolated from a natural population a null (CA1) mutant that yields only 3.5% of normal SOD activity. The S, F, and CA1 alleles provide a model system to investigate SOD-dependent radioresistance, because each allele yields different levels of SOD, so that S > F >> CAl. The radioprotective effects of SOD can be established by showing protective effects for the various genotypes that correspond to those inequalities. Because the allele variants studied are derived from natural populations, the proposed investigation avoids problems that arise when mutants obtained my mutagenesis are used. Moreover, each allele is studied in multiple genetic backgrounds, so that we correct for effects attributable to other loci by randomizing these effects.

  14. Ionization in liquids. Final technical report, November 1, 1993--December 31, 1995

    SciTech Connect

    Bakale, G.

    1996-03-29

    The objective of these studies which began in 1993 was to provide new information on electron and ion transport and reactions in model liquids and biomimetic systems that is pertinent to the roles of charged species in inducing radiobiological damage and to elucidate the interrelationship among the carcinogenicity, mutagenicity and electrophilicity of chemicals. This final report summarizes research efforts in the following areas: electrons in biological systems; and electron and ion transport and reactions in model liquids. In biological systems attention was focused on the following: excess electrons as probes of carcinogen electrophilicity; cost effectiveness of k{sub e} as a carcinogen-screening test; and conversion of k{sub e} to a carcinogen-screening electronic device. In model liquids, research was focused on two areas. The first investigated radiation-induced dimerization of fullerenes. The second area studied radiolytic synthesis of fullerene derivatives.

  15. A novel method involving Matlab coding to determine the distribution of a collimated ionizing radiation beam

    NASA Astrophysics Data System (ADS)

    Ioan, M.-R.

    2016-08-01

    In ionizing radiation related experiments, precisely knowing of the involved parameters it is a very important task. Some of these experiments are involving the use of electromagnetic ionizing radiation such are gamma rays and X rays, others make use of energetic charged or not charged small dimensions particles such are protons, electrons, neutrons and even, in other cases, larger accelerated particles such are helium or deuterium nuclei are used. In all these cases the beam used to hit an exposed target must be previously collimated and precisely characterized. In this paper, a novel method to determine the distribution of the collimated beam involving Matlab coding is proposed. The method was implemented by using of some Pyrex glass test samples placed in the beam where its distribution and dimension must be determined, followed by taking high quality pictures of them and then by digital processing the resulted images. By this method, information regarding the doses absorbed in the exposed samples volume are obtained too.

  16. Alternate cleaning methods for LCCAs. Final report

    SciTech Connect

    Adams, B.E.

    1993-04-01

    The purpose of this project was to evaluate DI water followed by isopropyl alcohol (IPA) cleaning and no cleaning of leadless chip carriers (LCCs). Both environmentally safe methods were to be tested against the current chlorofluorocarbon (CFC) material cleaning baseline. Several experiments were run to compare production and electrical yields of LCCs cleaned by all three methods. The critical process steps most affected by cleaning were wire bonding, sealing, particle induced noise detection (PIND), moisture content, and electrical. Yields for the experimental lots cleaned by CFC, DI water plus IPA, and no cleaning were 56%, 72%, and 75%, respectively. The overall results indicated that vapor degreasing/ultrasonic cleaning in CFCs could be replaced by the aqueous method. No cleaning could also be considered if an effective dry method of particle removal could be developed.

  17. Equation of motion coupled cluster methods for electron attachment and ionization potential in polyacenes

    SciTech Connect

    Bhaskaran-Nair, Kiran; Kowalski, Karol; Jarrell, Mark; Moreno, Juana; Shelton, William A.

    2015-11-05

    Polyacenes have attracted considerable attention due to their use in organic based optoelectronic materials. Polyacenes are polycyclic aromatic hydrocarbons composed of fused benzene rings. Key to understanding and design of new functional materials is an understanding of their excited state properties starting with their electron affinity (EA) and ionization potential (IP). We have developed a highly accurate and com- putationally e*fficient EA/IP equation of motion coupled cluster singles and doubles (EA/IP-EOMCCSD) method that is capable of treating large systems and large basis set. In this study we employ the EA/IP-EOMCCSD method to calculate the electron affinity and ionization potential of naphthalene, anthracene, tetracene, pentacene, hex- acene and heptacene. We have compared our results with other previous theoretical studies and experimental data. Our EA/IP results are in very good agreement with experiment and when compared with the other theoretical investigations our results represent the most accurate calculations as compared to experiment.

  18. Direct Delta-MBPT(2) method for ionization potentials, electron affinities, and excitation energies using fractional occupation numbers

    SciTech Connect

    Beste, Ariana; Vazquez-Mayagoitia, Alvaro; Ortiz, J. Vincent

    2013-01-01

    A direct method (D-Delta-MBPT(2)) to calculate second-order ionization potentials (IPs), electron affinities (EAs), and excitation energies is developed. The Delta-MBPT(2) method is defined as the correlated extension of the Delta-HF method. Energy differences are obtained by integrating the energy derivative with respect to occupation numbers over the appropriate parameter range. This is made possible by writing the second-order energy as a function of the occupation numbers. Relaxation effects are fully included at the SCF level. This is in contrast to linear response theory, which makes the D-Delta-MBPT(2) applicable not only to single excited but also higher excited states. We show the relationship of the D-Delta-MBPT(2) method for IPs and EAs to a second-order approximation of the effective Fock-space coupled-cluster Hamiltonian and a second-order electron propagator method. We also discuss the connection between the D-Delta-MBPT(2) method for excitation energies and the CIS-MP2 method. Finally, as a proof of principle, we apply our method to calculate ionization potentials and excitation energies of some small molecules. For IPs, the Delta-MBPT(2) results compare well to the second-order solution of the Dyson equation. For excitation energies, the deviation from EOM-CCSD increases when correlation becomes more important. When using the numerical integration technique, we encounter difficulties that prevented us from reaching the Delta-MBPT(2) values. Most importantly, relaxation beyond the Hartree Fock level is significant and needs to be included in future research.

  19. Advanced radioactive waste assay methods: Final report

    SciTech Connect

    Cline, J.E.; Robertson, D.E.; DeGroot, S.E.

    1987-11-01

    This report describes an evaluation of advanced methodologies for the radioassay of low power-plant low-level radioactive waste for compliance with the 10CFR61 classification rules. The project evaluated current assay practices in ten operating plants and identified areas where advanced methods would apply, studied two direct-assay methodologies, demonstrated these two techniques on radwaste in four operating plants and on irradiated components in two plants, and developed techniques for obtaining small representative aliquots from larger samples and for enhancing the /sup 144/Ce activity analysis in samples of waste. The study demonstrated the accuracy, practicality, and ALARA aspects of advanced methods and indicates that cost savings, resulting from the accuracy improvement and reduction in sampling requirements can be significant. 24 refs., 60 figs., 67 tabs.

  20. On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies

    SciTech Connect

    McKechnie, Scott; Booth, George H.; Cohen, Aron J.; Cole, Jacqueline M.

    2015-05-21

    The best practice in computational methods for determining vertical ionization energies (VIEs) is assessed, via reference to experimentally determined VIEs that are corroborated by highly accurate coupled-cluster calculations. These reference values are used to benchmark the performance of density functional theory (DFT) and wave function methods: Hartree-Fock theory, second-order Møller-Plesset perturbation theory, and Electron Propagator Theory (EPT). The core test set consists of 147 small molecules. An extended set of six larger molecules, from benzene to hexacene, is also considered to investigate the dependence of the results on molecule size. The closest agreement with experiment is found for ionization energies obtained from total energy difference calculations. In particular, DFT calculations using exchange-correlation functionals with either a large amount of exact exchange or long-range correction perform best. The results from these functionals are also the least sensitive to an increase in molecule size. In general, ionization energies calculated directly from the orbital energies of the neutral species are less accurate and more sensitive to an increase in molecule size. For the single-calculation approach, the EPT calculations are in closest agreement for both sets of molecules. For the orbital energies from DFT functionals, only those with long-range correction give quantitative agreement with dramatic failing for all other functionals considered. The results offer a practical hierarchy of approximations for the calculation of vertical ionization energies. In addition, the experimental and computational reference values can be used as a standardized set of benchmarks, against which other approximate methods can be compared.

  1. Halocarbon refrigerant detection methods. Final report

    SciTech Connect

    Tapscott, R.E.; Sohn, C.W.

    1996-01-01

    The Montreal Protocol and the U.S. Clean Air Act limit the production of ozone-depleting substances, including many refrigerants. Three options for cost-effectively phasing out these refrigerants from Army installations are: (1) refrigerant containment, (2) retrofit conversion to accommodate alternative refrigerant, and (3) replacement with cooling systems using alternative refrigerant. This report contributes to the first option by identifying and assessing methods to detect chlorofluorocarbon (CFC), hydrochlorofluorocarbon (HCFC) and hydrofluorocarbon (HFC) refrigerants that leak from air-conditioning and refrigeration systems. As background, the report describes the relevant sections of the Montreal Protocol and the Clean Air Act, and gives an overview of refrigerants. This is followed by a description of the technologies used in refrigerant leak detection, and a survey of detector types available and their price ranges. Appendixes provide an extensive list of detector products and their specifications, plus manufacturer addresses and phone numbers.

  2. Dissociation and dissociative ionization of H2+ using the time-dependent surface flux method

    NASA Astrophysics Data System (ADS)

    Yue, Lun; Madsen, Lars Bojer

    2013-12-01

    The time-dependent surface flux method developed for the description of electronic spectra L. Tao and A. Scrinzi, New J. Phys. 14, 013021 (2012), 10.1088/1367-2630/14/1/013021; A. Scrinzi, New J. Phys. 14, 085008 (2012), 10.1088/1367-2630/14/8/085008] is extended to treat dissociation and dissociative ionization processes of H2+ interacting with strong laser pulses. By dividing the simulation volume into proper spatial regions associated with the individual reaction channels and monitoring the probability flux, the joint energy spectrum for the dissociative ionization process and the energy spectrum for dissociation is obtained. The methodology is illustrated by solving the time-dependent Schrödinger equation for a collinear one-dimensional model of H2+ with electronic and nuclear motions treated exactly and validated by comparison with published results for dissociative ionization. The results for dissociation are qualitatively explained by analysis based on dressed diabatic Floquet potential energy curves, and the method is used to investigate the breakdown of the two-surface model.

  3. Reducing the dimensionality of grid based methods for electron-atom scattering calculations below ionization threshold

    NASA Astrophysics Data System (ADS)

    Benda, Jakub; Houfek, Karel

    2017-04-01

    For total energies below the ionization threshold it is possible to dramatically reduce the computational burden of the solution of the electron-atom scattering problem based on grid methods combined with the exterior complex scaling. As in the R-matrix method, the problem can be split into the inner and outer problem, where the outer problem considers only the energetically accessible asymptotic channels. The (N + 1)-electron inner problem is coupled to the one-electron outer problems for every channel, resulting in a matrix that scales only linearly with size of the outer grid.

  4. Apparatus and method for the simultaneous detection of neutrons and ionizing electromagnetic radiation

    DOEpatents

    Bell, Zane W.

    2000-01-01

    A sensor for simultaneously detecting neutrons and ionizing electromagnetic radiation comprising: a sensor for the detection of gamma radiation, the sensor defining a sensing head; the sensor further defining an output end in communication with the sensing head; and an exterior neutron-sensitive material configured to form around the sensing head; wherein the neutron-sensitive material, subsequent to the capture of the neutron, fissions into an alpha-particle and a .sup.7 Li ion that is in a first excited state in a majority of the fissions, the first excited state decaying via the emission of a single gamma ray at 478 keV which can in turn be detected by the sensing head; and wherein the sensing head can also detect the ionizing electromagnetic radiation from an incident radiation field without significant interference from the neutron-sensitive material. A method for simultaneously detecting neutrons and ionizing electromagnetic radiation comprising the steps of: providing a gamma ray sensitive detector comprising a sensing head and an output end; conforming an exterior neutron-sensitive material configured to form around the sensing head of the detector; capturing neutrons by the sensing head causing the neutron-sensitive material to fission into an alpha-particle and a .sup.7 Li ion that is in a first excited state in a majority of the fissions, the state decaying via the emission of a single gamma ray at 478 keV; sensing gamma rays entering the detector through the neutron-sensitive material; and producing an output through a readout device coupled to the output end; wherein the detector provides an output which is proportional to the energy of the absorbed ionizing electromagnetic radiation.

  5. Experimental and theoretical triple differential cross sections for electron-impact ionization of Ar (3p) for equal energy final state electrons

    NASA Astrophysics Data System (ADS)

    Amami, Sadek; Ozer, Zehra N.; Dogan, Mevlut; Yavuz, Murat; Varol, Onur; Madison, Don

    2016-09-01

    There have been several studies of electron-impact ionization of inert gases for asymmetric final state energy sharing and normally one electron has an energy significantly higher than the other. However, there have been relatively few studies examining equal energy final state electrons. Here we report experimental and theoretical triple differential cross sections for electron impact ionization of Ar (3p) for equal energy sharing of the outgoing electrons. Previous experimental results combined with some new measurements are compared with distorted wave born approximation (DWBA) results, DWBA results using the Ward-Macek (WM) approximation for the post collision interaction (PCI), and three-body distorted wave (3DW) which includes PCI without approximation. The results show that it is crucially important to include PCI in the calculation particularly for lower energies and that the WM approximation is valid only for high energies. The 3DW, on the other hand, is in reasonably good agreement with data down to fairly low energies.

  6. Comparison of pencil-type ionization chamber calibration results and methods between dosimetry laboratories.

    PubMed

    Hourdakis, Costas J; Büermann, Ludwig; Ciraj-Bjelac, Olivera; Csete, Istvan; Delis, Harry; Gomola, Igor; Persson, Linda; Novak, Leos; Petkov, Ivailo; Toroi, Paula

    2016-01-01

    A comparison of calibration results and procedures in terms of air kerma length product, PKL, and air kerma, K, was conducted between eight dosimetry laboratories. A pencil-type ionization chamber (IC), generally used for computed tomography dose measurements, was calibrated according to three calibration methods, while its residual signal and other characteristics (sensitivity profile, active length) were assessed. The results showed that the "partial irradiation method" is the preferred method for the pencil-type IC calibration in terms of PKL and it could be applied by the calibration laboratories successfully. Most of the participating laboratories achieved high level of agreement (>99%) for both dosimetry quantities (PKL and K). Estimated relative standard uncertainties of comparison results vary among laboratories from 0.34% to 2.32% depending on the quantity, beam quality and calibration method applied. Detailed analysis of the assigned uncertainties have been presented and discussed.

  7. Does non-ionizing radiant energy affect determination of the evaporation rate by the gradient method?

    PubMed

    Kjartansson, S; Hammarlund, K; Oberg, P A; Sedin, G

    1991-01-01

    A study was performed to investigate whether measurements of the evaporation rate from the skin of newborn infants by the gradient method are affected by the presence of non-ionizing radiation from phototherapy equipment or a radiant heater. The evaporation rate was measured experimentally with the measuring sensors either exposed to or protected from non-ionizing radiation. Either blue light (phototherapy) or infrared light (radiant heater) was used; in the former case the evaporation rate was measured from a beaker of water covered with a semipermeable membrane, and in the latter case from the hand of an adult subject, aluminium foil or with the measuring probe in the air. No adverse effect on the determinations of the evaporation rate was found in the presence of blue light. Infrared radiation caused an error of 0.8 g/m2h when the radiant heater was set at its highest effect level or when the ambient humidity was high. At low and moderate levels the observed evaporation rate was not affected. It is concluded that when clinical measurements are made from the skin of newborn infants nursed under a radiant heater, the evaporation rate can appropriately be determined by the gradient method.

  8. Electrospray ionization-tandem mass spectrometry method for differentiating chlorine substitution in disinfection byproduct formation.

    PubMed

    Deng, Zhuo; Yang, Xin; Shang, Chii; Zhang, Xiangru

    2014-05-06

    An electrospray ionization-tandem mass spectrometry (ESI-tqMS) method was developed to identify the location of chlorine substitution during the chlorination of model organic compounds. The chlorine substitution in the aliphatic part and that in the benzene ring of an organic molecule can be differentiated by their corresponding ranges of optimum collision energies, 5-7 eV and over 15 eV, respectively, in the precursor ion scan of m/z 35. The method was applied to predict the structures of intermediates and reveal the transformation pathways during the chlorination of 4-amino-2-chlorobenzoic acid and phenylalanine as a function of reaction time and the chlorine-to-precursor ratio. In the case of phenylalanine, chlorine was found to replace one hydrogen atom attached to the aliphatic nitrogen; in the case of 4-amino-2-chlorobenzoic acid, chlorine was found to replace the hydrogen atoms attached to the aromatic rings.

  9. Electron impact total ionization cross sections for simple bio-molecules (H2CO, HCOOH and CH3COOH) using ICSP-ic method

    NASA Astrophysics Data System (ADS)

    Bhutadia, Harshad; Vinodkumar, Minaxi; Antony, Bobby

    2012-11-01

    In the present work we compute total ionization cross sections for simple bio-molecules viz. formaldehyde, formic acid and acetic acid on electron impact. The total ionization cross sections are extracted from total inelastic cross section using Improved Complex Scattering Potential-ionization contribution method.

  10. The computation of ionization potentials for second-row elements by ab initio and density functional theory methods

    SciTech Connect

    Jursic, B.S.

    1996-12-31

    Up to four ionization potentials of elements from the second-row of the periodic table were computed using the ab initio (HF, MP2, MP3, MP4, QCISD, GI, G2, and G2MP2) and DFT (B3LY, B3P86, B3PW91, XALPHA, HFS, HFB, BLYP, BP86, BPW91, BVWN, XAPLY, XAP86, XAPW91, XAVWN, SLYR SP86, SPW91 and SVWN) methods. In all of the calculations, the large 6-311++G(3df,3pd) gaussian type of basis set was used. The computed values were compared with the experimental results and suitability of the ab initio and DFF methods were discussed, in regard to reproducing the experimental data. From the computed ionization potentials of the second-row elements, it can be concluded that the HF ab initio computation is not capable of reproducing the experimental results. The computed ionization potentials are too low. However, by using the ab initio methods that include electron correlation, the computed IPs are becoming much closer to the experimental values. In all cases, with the exception of the first ionization potential for oxygen, the G2 computation result produces ionization potentials that are indistinguishable from the experimental results.

  11. Application of the two-dose-rate method for general recombination correction for liquid ionization chambers in continuous beams

    NASA Astrophysics Data System (ADS)

    Andersson, Jonas; Tölli, Heikki

    2011-01-01

    A method to correct for the general recombination losses for liquid ionization chambers in continuous beams has been developed. The proposed method has been derived from Greening's theory for continuous beams and is based on measuring the signal from a liquid ionization chamber and an air filled monitor ionization chamber at two different dose rates. The method has been tested with two plane parallel liquid ionization chambers in a continuous radiation x-ray beam with a tube voltage of 120 kV and with dose rates between 2 and 13 Gy min-1. The liquids used as sensitive media in the chambers were isooctane (C8H18) and tetramethylsilane (Si(CH3)4). The general recombination effect was studied using chamber polarizing voltages of 100, 300, 500, 700 and 900 V for both liquids. The relative standard deviation of the results for the collection efficiency with respect to general recombination was found to be a maximum of 0.7% for isooctane and 2.4% for tetramethylsilane. The results are in excellent agreement with Greening's theory for collection efficiencies over 90%. The measured and corrected signals from the liquid ionization chambers used in this work are in very good agreement with the air filled monitor chamber with respect to signal to dose linearity.

  12. Application of the two-dose-rate method for general recombination correction for liquid ionization chambers in continuous beams.

    PubMed

    Andersson, Jonas; Tölli, Heikki

    2011-01-21

    A method to correct for the general recombination losses for liquid ionization chambers in continuous beams has been developed. The proposed method has been derived from Greening's theory for continuous beams and is based on measuring the signal from a liquid ionization chamber and an air filled monitor ionization chamber at two different dose rates. The method has been tested with two plane parallel liquid ionization chambers in a continuous radiation x-ray beam with a tube voltage of 120 kV and with dose rates between 2 and 13 Gy min(-1). The liquids used as sensitive media in the chambers were isooctane (C(8)H(18)) and tetramethylsilane (Si(CH(3))(4)). The general recombination effect was studied using chamber polarizing voltages of 100, 300, 500, 700 and 900 V for both liquids. The relative standard deviation of the results for the collection efficiency with respect to general recombination was found to be a maximum of 0.7% for isooctane and 2.4% for tetramethylsilane. The results are in excellent agreement with Greening's theory for collection efficiencies over 90%. The measured and corrected signals from the liquid ionization chambers used in this work are in very good agreement with the air filled monitor chamber with respect to signal to dose linearity.

  13. A two-dose-rate method for general recombination correction for liquid ionization chambers in pulsed beams

    NASA Astrophysics Data System (ADS)

    Tölli, Heikki; Sjögren, Rickard; Wendelsten, Mikael

    2010-08-01

    The correction for general recombination losses in liquid ionization chambers (LICs) is more complex than that in air-filled ionization chambers. The reason for this is that the saturation charge in LICs, i.e. the charge that escapes initial recombination, depends on the applied voltage. This paper presents a method, based on measurements at two different dose rates in a pulsed beam, for general recombination correction in LICs. The Boag theory for pulsed beams is used and the collection efficiency is determined by numerical methods which are equivalent to the two-voltage method used in dosimetry with air-filled ionization chambers. The method has been tested in experiments in water in a 20 MeV electron beam using two LICs filled with isooctane and tetramethylsilane. The dose per pulse in the electron beam was varied between 0.1 mGy/pulse and 8 mGy/pulse. The relative standard deviations of the collection efficiencies determined with the two-dose-rate method ranged between 0.1% and 1.5%. The dose-rate variations of the general recombination corrected charge measured with the LICs are in excellent agreement with the corresponding values obtained with an air-filled plane parallel ionization chamber.

  14. Simulation of thermal ionization in a dense helium plasma by the Feynman path integral method

    NASA Astrophysics Data System (ADS)

    Shevkunov, S. V.

    2011-04-01

    The region of equilibrium states is studied where the quantum nature of the electron component and a strong nonideality of a plasma play a key role. The problem of negative signs in the calculation of equilibrium averages a system of indistinguishable quantum particles with a spin is solved in the macroscopic limit. It is demonstrated that the calculation can be conducted up to a numerical result. The complete set of symmetrized basis wave functions is constructed based on the Young symmetry operators. The combinatorial weight coefficients of the states corresponding to different graphs of connected Feynman paths in multiparticle systems are calculated by the method of random walk over permutation classes. The kinetic energy is calculated using a viral estimator at a finite pressure in a statistical ensemble with flexible boundaries. Based on the methods developed in the paper, the computer simulation is performed for a dense helium plasma in the temperature range from 30000 to 40000 K. The equation of state, internal energy, ionization degree, and structural characteristic of the plasma are calculated in terms of spatial correlation functions. The parameters of a pseudopotential plasma model are estimated.

  15. Computation of axisymmetric and ionized hypersonic flows using particle and continuum methods

    NASA Technical Reports Server (NTRS)

    Boyd, Iain D.; Gokcen, Tahir

    1994-01-01

    Comparisons between particle and continuum simulations of hypersonic near-continuum flows are presented. The particle approach employs the direct simulation Monte Carlo (DSMC) method, and the continuum approach solves the appropriate equations of fluid flow. Both simulations have thermochemistry models for air implemented including ionization. A new axisymmetric DSMC code that is efficiently vectorized is developed for this study. In this DSMC code, particular attention is paid to matching the relaxation rates employed in the continuum approach. This investigation represents a continuum of a previous study that considered thermochemical relaxation in one-dimensional shock waves of nitrogen. Comparison of the particle and continuum methods is first made for an axisymmetric blunt-body flow of air at 7 km/s. Very good agreement is obtained for the two solutions. The two techniques also compare well for a one-dimensional shock wave in air at 10 km/s. In both applications, the results are found to be sensitive to various aspects of the chemistry model employed.

  16. Computation of axisymmetric and ionized flows using particle and continuum methods

    NASA Technical Reports Server (NTRS)

    Boyd, Iain D.; Gokcen, Tahir

    1993-01-01

    Comparisons between particle and continuum simulations of hypersonic near-continuum flows are presented. The particle approach employs the direct simulation Monte Carlo method (DSMC), and the continuum approach solves the Euler equations. Both simulations have thermochemistry models for air implemented including ionization. A new axisymmetric DSMC code which is efficiently vectorized is developed for this study. In this DSMC code, particular attention is paid to matching the relaxation rates employed in the continuum approach. This investigation represents a continuation of a previous study which considered thermochemical relaxation in one-dimensional shock waves of nitrogen. Comparison of the particle and continuum methods is first made for an axisymmetric blunt-body flow of air at 7 km/s. Very good agreement is obtained for the two solutions. The two techniques also compare well for a one-dimensional shock wave in air at 10 km/s. In both applications, the results are found to be sensitive to various aspects of the chemistry models employed.

  17. Effects of Ionizing Radiation on Biological Molecules—Mechanisms of Damage and Emerging Methods of Detection

    PubMed Central

    Reisz, Julie A.; Bansal, Nidhi; Qian, Jiang; Zhao, Weiling

    2014-01-01

    Abstract Significance: The detrimental effects of ionizing radiation (IR) involve a highly orchestrated series of events that are amplified by endogenous signaling and culminating in oxidative damage to DNA, lipids, proteins, and many metabolites. Despite the global impact of IR, the molecular mechanisms underlying tissue damage reveal that many biomolecules are chemoselectively modified by IR. Recent Advances: The development of high-throughput “omics” technologies for mapping DNA and protein modifications have revolutionized the study of IR effects on biological systems. Studies in cells, tissues, and biological fluids are used to identify molecular features or biomarkers of IR exposure and response and the molecular mechanisms that regulate their expression or synthesis. Critical Issues: In this review, chemical mechanisms are described for IR-induced modifications of biomolecules along with methods for their detection. Included with the detection methods are crucial experimental considerations and caveats for their use. Additional factors critical to the cellular response to radiation, including alterations in protein expression, metabolomics, and epigenetic factors, are also discussed. Future Directions: Throughout the review, the synergy of combined “omics” technologies such as genomics and epigenomics, proteomics, and metabolomics is highlighted. These are anticipated to lead to new hypotheses to understand IR effects on biological systems and improve IR-based therapies. Antioxid. Redox Signal. 21: 260–292. PMID:24382094

  18. [New dosimetry system based on the thermoluminescence method for evaluation of ionizing radiation doses to workers of the health centers].

    PubMed

    Urban, Paweł; Skubacz, Krystian

    2015-01-01

    In different areas of industry, science and in the greater extend medicine, plenty of devices intended for production of ionizing radiation or containing sources of such radiation found application. Such situation causes the necessity to control such kind of hazards. Currently, the most popular technique for detection of ionizing radiation is the method based on the thermoluminescence phenomena. Within the frame of this work, a new Panasonic's dosimetry system based on thermoluminescence dosimeters, intended for assessment of doses in mixed radiation fields of various energies is presented. In addition, the measured dosimetry quantities and problems connected with monitoring of radiation hazard in mixed fields (commonly present in medical sector) are characterized. In orderto verify measurement capabilities of the new system the irradiations of dosimeters with ionizing radiation of different energies have been done.

  19. Biological dosimeter for cellular damage and repair by ionizing radiation. Final technical progress report, May 1, 1993--April 30, 1996

    SciTech Connect

    Cress, A.E.

    1998-06-30

    The authors have investigated the alteration of chromatin domains in Human T and B cells after ionizing radiation using three DNA specific dyes, Feulgen, Hoechst and 7-amino actinomycin D. Characterization and differentiation of T and B cells was accomplished using only 4 of a possible 32 image features with the CAS and Quaritex QX7 Digital Image Systems. Human B and T cells were irradiated with 1, 5 and 10 Gy and analyzed during a 1.5 hour recovery period. The chosen features detect a dose dependent change in DNA domains which can be observed as early as 1.5 hours after a 1Gv exposure. The results suggest that the ability of DNA specific dyes to stain chromatin can be used as an early sensitive indicator of DNA damage. The observed alteration of chromatin staining suggests that chromatin structure does observably change in a significant manner during a DNA repair interval. Since these alteration can be detected with DNA specific dyes that stain both AT rich, GC rich or total DNA, these data suggest that a global alteration of the chromatin is occurring after exposure to ionizing radiation.

  20. The extended Koopmans' theorem for orbital-optimized methods: accurate computation of ionization potentials.

    PubMed

    Bozkaya, Uğur

    2013-10-21

    The extended Koopmans' theorem (EKT) provides a straightforward way to compute ionization potentials (IPs) from any level of theory, in principle. However, for non-variational methods, such as Møller-Plesset perturbation and coupled-cluster theories, the EKT computations can only be performed as by-products of analytic gradients as the relaxed generalized Fock matrix (GFM) and one- and two-particle density matrices (OPDM and TPDM, respectively) are required [J. Cioslowski, P. Piskorz, and G. Liu, J. Chem. Phys. 107, 6804 (1997)]. However, for the orbital-optimized methods both the GFM and OPDM are readily available and symmetric, as opposed to the standard post Hartree-Fock (HF) methods. Further, the orbital optimized methods solve the N-representability problem, which may arise when the relaxed particle density matrices are employed for the standard methods, by disregarding the orbital Z-vector contributions for the OPDM. Moreover, for challenging chemical systems, where spin or spatial symmetry-breaking problems are observed, the abnormal orbital response contributions arising from the numerical instabilities in the HF molecular orbital Hessian can be avoided by the orbital-optimization. Hence, it appears that the orbital-optimized methods are the most natural choice for the study of the EKT. In this research, the EKT for the orbital-optimized methods, such as orbital-optimized second- and third-order Møller-Plesset perturbation [U. Bozkaya, J. Chem. Phys. 135, 224103 (2011)] and coupled-electron pair theories [OCEPA(0)] [U. Bozkaya and C. D. Sherrill, J. Chem. Phys. 139, 054104 (2013)], are presented. The presented methods are applied to IPs of the second- and third-row atoms, and closed- and open-shell molecules. Performances of the orbital-optimized methods are compared with those of the counterpart standard methods. Especially, results of the OCEPA(0) method (with the aug-cc-pVTZ basis set) for the lowest IPs of the considered atoms and closed

  1. Nanoparticle-assisted laser desorption/ionization mass spectrometry: Novel sample preparation methods and nanoparticle screening for plant metabolite imaging

    SciTech Connect

    Yagnik, Gargey B.

    2016-02-19

    The main goal of the presented research is development of nanoparticle based matrix-assisted laser desorption ionization-mass spectrometry (MALDI-MS). This dissertation includes the application of previously developed data acquisition methods, development of novel sample preparation methods, application and comparison of novel nanoparticle matrices, and comparison of two nanoparticle matrix application methods for MALDI-MS and MALDI-MS imaging.

  2. Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules: A Benchmark of GW Methods

    NASA Astrophysics Data System (ADS)

    Marom, Noa; Knight, Joseph; Wang, Xiaopeng; Gallandi, Lukas; Dolgounitcheva, Olga; Ren, Xinguo; Ortiz, Vincent; Rinke, Patrick; Korzdorfer, Thomas

    The performance of different GW methods is assessed for a set of 24 organic acceptors. Errors are evaluated with respect to coupled cluster singles, doubles, perturbative triples [CCSD(T)] reference data for the vertical ionization potentials (IPs) and electron affinities (EAs), extrapolated to the complete basis set limit. Additional comparisons are made to experimental data, where available. We consider fully self-consistent GW (scGW), partial self-consistency in the Green's function (scGW0) , non-self-consistent G0W0 based on several mean-field starting points, and a ``beyond GW'' second order screened exchange (SOSEX) correction to G0W0. The best performers overall are G0W0 + SOSEX and G0W0 based on an IP-tuned long range corrected hybrid functional with the former being more accurate for EAs and the latter for IPs. Both provide a balanced treatment of localized vs. delocalized states and valence spectra in good agreement with photoemission spectroscopy (PES) experiments.

  3. A three-dimensional numerical method for modelling weakly ionized plasmas

    NASA Astrophysics Data System (ADS)

    O'Sullivan, Stephen; Downes, Turlough P.

    2007-04-01

    Astrophysical fluids under the influence of magnetic fields are often subjected to single- or two-fluid approximations. In the case of weakly ionized plasmas, however, this can be inappropriate due to distinct responses from the multiple constituent species to both collisional and non-collisional forces. As a result, in dense molecular clouds and protostellar accretion discs, for instance, the conductivity of the plasma may be highly anisotropic leading to phenomena such as Hall and ambipolar diffusion strongly influencing the dynamics. Diffusive processes are known to restrict the stability of conventional numerical schemes which are not implicit in nature. Furthermore, recent work establishes that a large Hall term can impose an additional severe stability limit on standard explicit schemes. Following a previous paper, which presented the one-dimensional case, we describe a fully three-dimensional method which relaxes the normal restrictions on explicit schemes for multifluid processes. This is achieved by applying the little-known Super TimeStepping technique to the symmetric (ambipolar) component of the evolution operator for the magnetic field in the local plasma rest frame, and the new Hall Diffusion Scheme to the skew-symmetric (Hall) component.

  4. [Electron transfer, ionization, and excitation in atomic collisions]. Final technical report, June 15, 1986--June 14, 1998

    SciTech Connect

    1998-12-31

    The research on theoretical atomic collisions that was funded at The Pennsylvania State University`s Wilkes-Barre Campus by DOE from 1986 to 1998 was carried out by Winger from 1986 to 1989 and by Winter and Alston from 1989 to 1998. The fundamental processes of electron transfer, ionization, and excitation in ion-ion, ion-atom, and, more recently, ion-molecule collisions were addressed. These collision processes were treated in the context of simple one-electron, quasi-one-electron, or two-electron systems in order to provide unambiguous results and reveal more clearly the collisional mechanisms. Winter`s work generally focused on the intermediate projectile-energy range corresponding to proton energies from about ten to a few hundred keV. In this velocity-matching energy range, the electron-transfer cross section reaches a peak, and many states, including electron-transfer and ionization states, contribute to the overall electron-cloud distribution and transition probabilities; a large number of states are coupled, and therefore perturbative approaches are generally inappropriate. These coupled-state calculations were sometimes also extended to higher energies to join with perturbative results. Alston concentrated on intermediate-energy asymmetric collision systems, for which coupling with the projectile is weaker, but many target states are included, and on high energies (MeV energies). Thus, while perturbation theory for electron transfer is valid, it is not adequate to first order. The studies by Winter and Alston described were often done in parallel. Alston also developed formal perturbative approaches not tied to any particular system. Materials studied included He{sup +}, Li{sup 2+}, Be{sup 3+}, B{sup 4+}, C{sup 5+}, and the H{sup +} + Na system.

  5. Determination of small-field correction factors for cylindrical ionization chambers using a semiempirical method

    NASA Astrophysics Data System (ADS)

    Park, Kwangwoo; Bak, Jino; Park, Sungho; Choi, Wonhoon; Park, Suk Won

    2016-02-01

    A semiempirical method based on the averaging effect of the sensitive volumes of different air-filled ionization chambers (ICs) was employed to approximate the correction factors for beam quality produced from the difference in the sizes of the reference field and small fields. We measured the output factors using several cylindrical ICs and calculated the correction factors using a mathematical method similar to deconvolution; in the method, we modeled the variable and inhomogeneous energy fluence function within the chamber cavity. The parameters of the modeled function and the correction factors were determined by solving a developed system of equations as well as on the basis of the measurement data and the geometry of the chambers. Further, Monte Carlo (MC) computations were performed using the Monaco® treatment planning system to validate the proposed method. The determined correction factors (k{{Q\\text{msr}},Q}{{f\\text{smf}}, {{f}\\text{ref}}} ) were comparable to the values derived from the MC computations performed using Monaco®. For example, for a 6 MV photon beam and a field size of 1  ×  1 cm2, k{{Q\\text{msr}},Q}{{f\\text{smf}}, {{f}\\text{ref}}} was calculated to be 1.125 for a PTW 31010 chamber and 1.022 for a PTW 31016 chamber. On the other hand, the k{{Q\\text{msr}},Q}{{f\\text{smf}}, {{f}\\text{ref}}} values determined from the MC computations were 1.121 and 1.031, respectively; the difference between the proposed method and the MC computation is less than 2%. In addition, we determined the k{{Q\\text{msr}},Q}{{f\\text{smf}}, {{f}\\text{ref}}} values for PTW 30013, PTW 31010, PTW 31016, IBA FC23-C, and IBA CC13 chambers as well. We devised a method for determining k{{Q\\text{msr}},Q}{{f\\text{smf}}, {{f}\\text{ref}}} from both the measurement of the output factors and model-based mathematical computation. The proposed method can be useful in case the MC simulation would not be applicable for the clinical settings.

  6. Ionization suppression effects with condensed phase membrane introduction mass spectrometry: methods to increase the linear dynamic range and sensitivity.

    PubMed

    Duncan, Kyle D; Vandergrift, Gregory W; Krogh, Erik T; Gill, Chris G

    2015-03-01

    Condensed phase membrane introduction mass spectrometry (CP-MIMS) is an online analytical method that allows for the direct, trace level measurement of a wide range of analytes in complex samples. The technique employs a semi-permeable membrane that transfers analytes from a sample into a flowing acceptor solvent, which is directly infused to an atmospheric pressure ionization source, such as electrospray or atmospheric pressure chemical ionization. While CP-MIMS and variants of the technique have been in the literature for nearly a decade, much of the work has focused on instrument development. Few studies have thoroughly addressed quantitative methods related to detection limits, ionization suppression, or linear dynamic range. We examine ionization suppression in the direct rapid quantitation of analytes by CP-MIMS and introduce several analytical strategies to mitigate these effects, including the novel implementation of a continuously infused internal standard in the acceptor phase solvent, and modulation of acceptor phase flow rate. Several representative analytes were used to evaluate this approach with spiked, complex sample matrices, including primary wastewater effluent and artificial urine. Also reported are improved measured detection limits in the low part-per-trillion range, using a 'stopped-flow' acceptor mode.

  7. Flare heating and ionization of the low solar chromosphere. I - Inversion methods for Mg I 4571 and 5173

    NASA Technical Reports Server (NTRS)

    Metcalf, Thomas R.; Canfield, Richard C.; Avrett, Eugene H.; Metcalf, Frederic T.

    1990-01-01

    Various methods of inverting solar Mg I 4571 and 5173 spectral line observations are examined to find the best method of using these lines to calculate the vertical temperature and electron density structure around the temperature minimum region. Following a perturbation analysis by Mein (1971), a Fredholm integral equation of the first kind is obtained which can be inverted to yield these temperature and density structures as a function of time. Several inversion methods are tested and compared. The methods are used to test data as well as to a subset of observations of these absorption lines taken on February 3, 1986 before and during a solar flare. A small but significant increase is found in the temperature and a relatively large increase in the electron density during this flare. The observations are inconsistent with heating and ionization by an intense beam of electrons and with ionization by UV photoionization of Si I.

  8. Methods for Creation and Detection of Ultra-Strong Artificial Ionization in the Upper Atmosphere (Invited)

    NASA Astrophysics Data System (ADS)

    Bernhardt, P. A.; Siefring, C. L.; Briczinski, S. J.; Kendall, E. A.; Watkins, B. J.; Bristow, W. A.; Michell, R.

    2013-12-01

    The High Frequency Active Auroral Research Program (HAARP) transmitter in Alaska has been used to produce localized regions of artificial ionization at altitudes between 150 and 250 km. High power radio waves tuned near harmonics of the electron gyro frequency were discovered by Todd Pederson of the Air Force Research Laboratory to produce ionosonde traces that looked like artificial ionization layers below the natural F-region. The initial regions of artificial ionization (AI) were not stable but had moved down in altitude over a period of 15 minutes. Recently, artificial ionization has been produced by the 2nd, 3rd, 4th and 6th harmonics transmissions by the HAARP. In march 2013, the artificial ionization clouds were sustained for more the 5 hours using HAARP tuned to the 4 fce at the full power of 3.6 Mega-Watts with a twisted-beam antenna pattern. Frequency selection with narrow-band sweeps and antenna pattern shaping has been employed for optimal generation of AI. Recent research at HAARP has produced the longest lived and denser artificial ionization clouds using HF transmissions at the harmonics of the electron cyclotron frequency and ring-shaped radio beams tailored to prevent the descent of the clouds. Detection of artificial ionization employs (1) ionosonde echoes, (2) coherent backscatter from the Kodiak SuperDARN radar, (3) enhanced ion and plasma line echoes from the HAARP MUIR radar at 400 MHz, (4) high resolution optical image from ground sites, and (5) unique stimulated electromagnetic emissions, and (6) strong UHF and L-Band scintillation induced into trans-ionospheric signals from satellite radio beacons. Future HAARP experiments will determine the uses of long-sustained AI for enhanced HF communications.

  9. The oncogenic action of ionizing radiation on rat skin. Final progress report, May 1, 1990--April 30, 1992

    SciTech Connect

    Burns, F.J.; Garte, S.J.

    1992-12-31

    The multistage theory of carcinogenesis specifies that cells progress to cancer through a series of discrete, irreversible genetic alterations, but data on radiation-induced cancer incidence in rat skin suggests that an intermediate repairable alteration may occur. Data are presented on cancer induction in rat skin exposed to an electron beam (LET=0.34 keV/{mu}), a neon ion beam (LET=45) or an argon ion beam (LET=125). The rats were observed for tumors at least 78 weeks with squamous and basal cell carcinomas observed. The total cancer yield was fitted by the quadratic equation, and the equation parameters were estimated by linear regression for each type of radiation. Analysis of the DNA from the electron-induced carcinomas indicated that K-ras and/or c-myc oncogenes were activated. In situ hybridization indicated that the cancers contain subpopulations of cells with differing amounts of c-myc and H-ras amplification. The results are consistent with the idea that ionizing radiation produces stable, carcinogenically relevant lesions via 2 repairable events at low LET and via a non-repairable linked event pathway at high LET; either pathway may advance the cell by 1 stage. The proliferative response of rat epidermis following exposure to ionizing radiation was quantified by injection of {sup 14}C-thymidine. The return of these cells to S-phase a second time was detected by a second label ({sup 3}H). When the labeled cells were in G1-phase, the dorsal skin was irradiated with X-rays. All labeling indices were determined. The {sup 14}C labeling index was constant and unaffected by the radiation. The proportion of all cells entering S-phase averaged 3.5% at 18 hr and increased after 44, 52 and 75 hr to average levels of 11.8%, 5. 3%, and 6.6% at 0, 10 and 25 Gy respectively. The proportion of S-phase cells labeled with {sup 14}C increased after 42 hr and remained relatively constant thereafter.

  10. Final Report: Symposium on Adaptive Methods for Partial Differential Equations

    SciTech Connect

    Pernice, M.; Johnson, C.R.; Smith, P.J.; Fogelson, A.

    1998-12-10

    OAK-B135 Final Report: Symposium on Adaptive Methods for Partial Differential Equations. Complex physical phenomena often include features that span a wide range of spatial and temporal scales. Accurate simulation of such phenomena can be difficult to obtain, and computations that are under-resolved can even exhibit spurious features. While it is possible to resolve small scale features by increasing the number of grid points, global grid refinement can quickly lead to problems that are intractable, even on the largest available computing facilities. These constraints are particularly severe for three dimensional problems that involve complex physics. One way to achieve the needed resolution is to refine the computational mesh locally, in only those regions where enhanced resolution is required. Adaptive solution methods concentrate computational effort in regions where it is most needed. These methods have been successfully applied to a wide variety of problems in computational science and engineering. Adaptive methods can be difficult to implement, prompting the development of tools and environments to facilitate their use. To ensure that the results of their efforts are useful, algorithm and tool developers must maintain close communication with application specialists. Conversely it remains difficult for application specialists who are unfamiliar with the methods to evaluate the trade-offs between the benefits of enhanced local resolution and the effort needed to implement an adaptive solution method.

  11. Correction factors for the INER-improved free-air ionization chambers calculated with the Monte Carlo method.

    PubMed

    Lin, Uei-Tyng; Chu, Chien-Hau

    2006-05-01

    Monte Carlo method was used to simulate the correction factors for electron loss and scattered photons for two improved cylindrical free-air ionization chambers (FACs) constructed at the Institute of Nuclear Energy Research (INER, Taiwan). The method is based on weighting correction factors for mono-energetic photons with X-ray spectra. The newly obtained correction factors for the medium-energy free-air chamber were compared with the current values, which were based on a least-squares fit to experimental data published in the NBS Handbook 64 [Wyckoff, H.O., Attix, F.H., 1969. Design of free-air ionization chambers. National Bureau Standards Handbook, No. 64. US Government Printing Office, Washington, DC, pp. 1-16; Chen, W.L., Su, S.H., Su, L.L., Hwang, W.S., 1999. Improved free-air ionization chamber for the measurement of X-rays. Metrologia 36, 19-24]. The comparison results showed the agreement between the Monte Carlo method and experimental data is within 0.22%. In addition, mono-energetic correction factors for the low-energy free-air chamber were calculated. Average correction factors were then derived for measured and theoretical X-ray spectra at 30-50 kVp. Although the measured and calculated spectra differ slightly, the resulting differences in the derived correction factors are less than 0.02%.

  12. A method for measuring the electron drift velocity in working gas using a Frisch-grid ionization chamber

    NASA Astrophysics Data System (ADS)

    Bai, Huaiyong; Wang, Zhimin; Zhang, Luyu; Chen, Jinxiang; Zhang, Guohui

    2016-12-01

    A method for measuring the electron drift velocity in working gas is proposed. Based on the cathode and the anode signal waveforms of the Frisch-grid ionization chamber, the electron drift velocity is extracted. With this method, the electron drift velocities in Ar + 10% CH4, Ar + 3.5% CO2 and Kr + 2.7% CO2 gases have been measured and the results are compared with the existing measurements and the simulating results. Using this method, the electron drift velocity can be monitored throughout the experiment of charged particle without bothering the measurement of other parameters, such as the energy and orientation.

  13. Slow-electron velocity-map imaging study of aniline via resonance-enhanced two-photon ionization method

    NASA Astrophysics Data System (ADS)

    Qu, Zehua; Qin, Zhengbo; Zheng, Xianfeng; Wang, Hui; Yao, Guanxin; Zhang, Xianyi; Cui, Zhifeng

    2017-02-01

    Slow electron velocity-map imaging (SEVI) of aniline has been investigated via two-color resonant-enhanced two-photo (1 + 1‧) ionization (2C-R2PI) method. A number of vibrational frequencies in the first excited state of neutral (S1) and 2B1 ground electronic state of cation (D0) have been accurately determined. In addition, photoelectron angular distributions (PADs) in the two-step transitions are presented and reveal a near threshold shape resonance in the ionization of aniline. The SEVI spectra taken via various S1 intermediate states provide the detailed vibrational structures of D0 state and directly deduce the accurate adiabatic ionization potential (IP) of 62,271 ± 6 cm- 1. Ab initio calculations excellently reproduce the experimental IP value (Theo. 62,242 cm- 1). For most vibrational modes, good agreement between theoretical and experimental frequencies in the S0 and D0 states of aniline is obtained to aid us to clearly assign vibrational modes. Especially, the vibrational frequencies calculated at the CASSCF level are much better consistent with experimental data than that obtained using the TDDFT and CIS methods.

  14. Slow-electron velocity-map imaging study of aniline via resonance-enhanced two-photon ionization method.

    PubMed

    Qu, Zehua; Qin, Zhengbo; Zheng, Xianfeng; Wang, Hui; Yao, Guanxin; Zhang, Xianyi; Cui, Zhifeng

    2017-02-15

    Slow electron velocity-map imaging (SEVI) of aniline has been investigated via two-color resonant-enhanced two-photo (1+1') ionization (2C-R2PI) method. A number of vibrational frequencies in the first excited state of neutral (S1) and (2)B1 ground electronic state of cation (D0) have been accurately determined. In addition, photoelectron angular distributions (PADs) in the two-step transitions are presented and reveal a near threshold shape resonance in the ionization of aniline. The SEVI spectra taken via various S1 intermediate states provide the detailed vibrational structures of D0 state and directly deduce the accurate adiabatic ionization potential (IP) of 62,271±6cm(-1). Ab initio calculations excellently reproduce the experimental IP value (Theo. 62,242cm(-1)). For most vibrational modes, good agreement between theoretical and experimental frequencies in the S0 and D0 states of aniline is obtained to aid us to clearly assign vibrational modes. Especially, the vibrational frequencies calculated at the CASSCF level are much better consistent with experimental data than that obtained using the TDDFT and CIS methods.

  15. The calculation of ionization energies by perturbation, configuration interaction and approximate coupled pair techniques and comparisons with green's function methods for Ne, H 2O and N 2

    NASA Astrophysics Data System (ADS)

    Bacskay, George B.

    1980-05-01

    The vertical valence ionization potentials of Ne, H 2O and N 2 have been calculated by Rayleigh-Schrödinger perturbation and configuration interaction methods. The calculations were carried out in the space of a single determinant reference state and its single and double excitations, using both the N and N - 1 electron Hartree-Fock orbitals as hole/particle bases. The perturbation series for the ion state were generally found to converge fairly slowly in the N electron Hartree-Fock (frozen) orbital basis, but considerably faster in the appropriate N - 1 electron RHF (relaxed) orbital basis. In certain cases, however, due to near-degeneracy effects, partial, and even complete, breakdown of the (non-degenerate) perturbation treatment was observed. The effects of higher excitations on the ionization potentials were estimated by the approximate coupled pair techniques CPA' and CPA″ as well as by a Davidson type correction formula. The final, fully converged CPA″ results are generally in good agreement with those from PNO-CEPA and Green's function calculations as well as experiment.

  16. Fuel cell with ionization membrane

    NASA Technical Reports Server (NTRS)

    Hartley, Frank T. (Inventor)

    2007-01-01

    A fuel cell is disclosed comprising an ionization membrane having at least one area through which gas is passed, and which ionizes the gas passing therethrough, and a cathode for receiving the ions generated by the ionization membrane. The ionization membrane may include one or more openings in the membrane with electrodes that are located closer than a mean free path of molecules within the gas to be ionized. Methods of manufacture are also provided.

  17. Expedient methods of respiratory protection. II. Leakage tests. Final report

    SciTech Connect

    Cooper, D.W.; Hinds, W.C.; Price, J.M.; Weker, R.; Yee, H.S.

    1983-07-01

    The following readily-available materials were tested on a manikin connected to a breathing simulator to determine the fraction of an approximately 2-..mu..m-diameter aerosol that would leak around the seal of the materials to the manikin's face: cotton/polyester shirt material, cotton handkerchief material, toweling (a wash cloth), a surgical mask (Johnson and Johnson Co., model HRI 8137), and a NIOSH-approved disposable face mask (3M, model number 8710). The leakage tests were performed to supplement the measurements of penetration through the materials, conducted as the first phase of this investigation. The leakage tests were performed with the materials held on to the face by three methods, leakage fractions being determined from comparisons with the penetration of the same aerosol for the materials fully taped to the face. At a breathing rate of 37 liters per minute, mean leakages ranged from 0.0 percent to 63 percent. Mean penetrations exclusive of leakage ranged from 0.6 percent to 39 percent. Use of nylon hosiery material (panty hose) to hold the handkerchief material or the disposable face mask to the face was found to be very effective in preventing leakage. Such a combination could be expected to reduce leakage around the handkerchief to about ten percent or less in practice, and around the mask to less than one percent, offering substantial protection from accidentally generated aerosols. The reduction in leakage around the mask provided by the hosiery material suggests the adaptation and use of such an approach in regular industrial hygiene practice. The third and final phase of this investigation is underway, in which the penetration of the materials by particles with diameters between 0.05 and 0.5 ..mu..m is being measured and the effectiveness of the methods for dose reduction in the presence of radioactive aerosols is being modeled.

  18. METHOD 332.0: DETERMINATION OF PERCHLORATE IN DRINKING WATER BY ION CHROMATOGRAPHY WITH SUPPRESSED CONDUCTIVITY AND ELECTROSPRAY IONIZATION MASS SPECTROMETRY

    EPA Science Inventory

    This method is applicable to the identification and quantitation of perchlorate in raw and finished drinking waters. The approach used is ion chromatography with suppressed conductivity and electrospray ionization mass spectrometry (IC-ESI/MS)

  19. Ionization source utilizing a jet disturber in combination with an ion funnel and method of operation

    DOEpatents

    Smith, Richard D.; Kim, Taeman; Tang, Keqi; Udseth, Harold R.

    2003-06-24

    A jet disturber used in combination with an ion funnel to focus ions and other charged particles generated at or near atmospheric pressure into a relatively low pressure region, which allows increased conductance of the ions and other charged particles. The jet disturber is positioned within an ion funnel and may be interfaced with a multi-capillary inlet juxtaposed between an ion source and the interior of an instrument maintained at near atmospheric pressure. The invention finds particular advantages when deployed to improve the ion transmission between an electrospray ionization source and the first vacuum stage of a mass spectrometer.

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

    DOEpatents

    Felter, Thomas E.

    2003-10-14

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

  1. Calculations of the ionization potentials of the halogens by the relativistic Hartree-Rock-Dirac method taking account of superposition of configurations

    SciTech Connect

    Tupitsyn, I.I.

    1988-03-01

    The ionization potentials of the halogen group have been calculated. The calculations were carried out using the relativistic Hartree-Fock method taking into account correlation effects. Comparison of theoretical results with experimental data for the elements F, Cl, Br, and I allows an estimation of the accuracy and reliability of the method. The theoretical values of the ionization potential of astatine obtained here may be of definite interest for the chemistry of astatine.

  2. Air flow-assisted ionization imaging mass spectrometry method for easy whole-body molecular imaging under ambient conditions.

    PubMed

    Luo, Zhigang; He, Jiuming; Chen, Yi; He, Jingjing; Gong, Tao; Tang, Fei; Wang, Xiaohao; Zhang, Ruiping; Huang, Lan; Zhang, Lianfeng; Lv, Haining; Ma, Shuanggang; Fu, Zhaodi; Chen, Xiaoguang; Yu, Shishan; Abliz, Zeper

    2013-03-05

    Whole-body molecular imaging is able to directly map spatial distribution of molecules and monitor its biotransformation in intact biological tissue sections. Imaging mass spectrometry (IMS), a label-free molecular imaging method, can be used to image multiple molecules in a single measurement with high specificity. Herein, a novel easy-to-implement, whole-body IMS method was developed with air flow-assisted ionization in a desorption electrospray ionization mode. The developed IMS method can effectively image molecules in a large whole-body section in open air without sample pretreatment, such as chemical labeling, section division, or matrix deposition. Moreover, the signal levels were improved, and the spatial assignment errors were eliminated; thus, high-quality whole-body images were obtained. With this novel IMS method, in situ mapping analysis of molecules was performed in adult rat sections with picomolar sensitivity under ambient conditions, and the dynamic information of molecule distribution and its biotransformation was provided to uncover molecular events at the whole-animal level. A global view of the differential distribution of an anticancer agent and its metabolites was simultaneously acquired in whole-body rat and model mouse bearing neuroglioma along the administration time. The obtained drug distribution provided rich information for identifying the targeted organs and predicting possible tumor spectrum, pharmacological activity, and potential toxicity of drug candidates.

  3. Method for Calculation of Ionization Profiles Caused by Cosmic Rays in Giant Planet Ionospheres from Jovian Group

    NASA Astrophysics Data System (ADS)

    Velinov, P.; Kostov, V.; Ruder, H.; Mateev, L.; Buchvarova, M.

    As a continuation of our studies of cosmic ray (CR) ionization in the atmospheres and ionospheres of the planets in the Solar system we present a new method for the calculation of the full electron production rate profiles due to particles of all energy intervals (galactic and solar CR, anomalous CR component and other types of high energy particles). For giant planets which have significant oblateness in spite of the isotropic penetration of the galactic CR in their atmospheres, the trivial integration on the azimuth angle is not applicable, because of the presentation of the planets as rotational ellipsoids and the azimuth dependence of the integrand function. The differences in the electron production rates for spherical and oblate atmospheres of the terrestrial planets are small. For example, for Mars and Earth this difference does not exceed 5% and almost does not depend on altitude. For the giant planets, however, there is a considerable dependency on height in the atmosphere. The differences in the electron p oduction rate profiles for spherical and ellipsoidalr atmospheres increase significantly in the deeper atmospheric layers. This requires the introduction of a modified Chapman ( h ) function for oblate planet in theC Particle Depth Factor (PDF) while considering the CR influence and ionization- neutralization processes in the ionospheres of the giant planets: Jupiter, Saturn, Uranus and Neptune. Calculation of ionization by all particles from different directions requires integration over azimuth angle, instead of only over zenith angle as in the spherical planet case when the Ch function is used. For an oblate planetary body (rotational ellipsoid), the atmospheric parameters (density and optical depth) depend on particle trajectory azimuth angle, so even for CR with isotropic distributions, integration over azimuth angle, zenith angle and energy is necessary. The goal of the present paper is the application of the PDF function for rotational ellipsoid

  4. Absolute method for the assay of oleuropein in olive oils by atmospheric pressure chemical ionization tandem mass spectrometry.

    PubMed

    De Nino, Antonio; Di Donna, Leonardo; Mazzotti, Fabio; Muzzalupo, Enzo; Perri, Enzo; Sindona, Giovanni; Tagarelli, Antonio

    2005-09-15

    Oleuropein (OLP, 1), the active ingredient present (i) in food integrators extracted from olive leaves, (ii) in table olives, and (iii) in extra virgin olive oils is a nutraceutical whose health benefits have been widely documented. A new analytical method for its assay, which is based on the utilization of atmospheric pressure chemical ionization tandem mass spectrometry and on the use of a synthetic labeled analogue, the 4-trideuteriocarboxyoleuropein (2), as an internal standard, is presented. The results obtained with extra virgin olive oils from different cultivars and different Italian regions are discussed.

  5. Three-dimensional Finite Elements Method simulation of Total Ionizing Dose in 22 nm bulk nFinFETs

    NASA Astrophysics Data System (ADS)

    Chatzikyriakou, Eleni; Potter, Kenneth; Redman-White, William; De Groot, C. H.

    2017-02-01

    Finite Elements Method simulation of Total Ionizing Dose effects on 22 nm bulk Fin Field Effect Transistor (FinFET) devices using the commercial software Synopsys Sentaurus TCAD is presented. The simulation parameters are extracted by calibrating the charge trapping model to experimental results on 400 nm SiO2 capacitors irradiated under zero bias. The FinFET device characteristics are calibrated to the Intel 22 nm bulk technology. Irradiation simulations of the transistor performed with all terminals unbiased reveal increased hardness up to a total dose of 1 MRad(SiO2).

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

    DOEpatents

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

    2004-11-30

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

  7. Grid-based methods for diatomic quantum scattering problems II: Time-dependent treatment of single- and two-photon ionization of H2+

    SciTech Connect

    Rescigno, Thomas N.; Tao, L.; McCurdy, C.W.

    2009-04-20

    The time-dependent Schr\\"odinger equation for H2+ in a time-varying electromagnetic field is solved in the fixed-nuclei approximation using a previously developed finite-element/ discrete variable representation in prolate spheroidal coordinates. Amplitudes for single- and two-photon ionization are obtained using the method of exterior complex scaling to effectively propagate the field-free solutions from the end of the radiation pulse to infinite times. Cross sections are presented for one-and two-photon ionization for both parallel and perpendicular polarization of the photon field, as well as photoelectron angular distributions for two-photon ionization.

  8. New methods and instrumentation for the characterization of biopolymers using electrospray ionization-mass spectrometry

    SciTech Connect

    Smith, R.D.; Udseth, H.R.; Rockwood, A.L.; Winger, B.E.; Hofstadler, S.A.; Goodlett, D.R.; Light-Wahl, K.J.

    1992-09-01

    The technique of electrospray ionization (ESI) has significantly extended the ability to characterize large molecules by mass spectrometry. Proteins to at least 200,000 D can be transferred intact to the gas phase and molecular weights determined with precisions as high as 0.001% if individual charge states can be resolved. The ESI-MS can also serve as a near ideal interface and detector for capillary column separations providing a basis for highly efficient sample utilization. Using capillary electrophoresis (CE)-MS, injection quantities in the 10[sup [minus]18] mole range can be detected for smaller polypeptides using selected ion monitoring, and separation efficiencies as high as 5[center dot]10[sup 5] theoretical plates have been realized. We have recently shown that the use of small 5 [mu]m i.d. capillaries allows CE-MS with scanning detection for proteins for injection of 600 attomoles.

  9. New methods and instrumentation for the characterization of biopolymers using electrospray ionization-mass spectrometry

    SciTech Connect

    Smith, R.D.; Udseth, H.R.; Rockwood, A.L.; Winger, B.E.; Hofstadler, S.A.; Goodlett, D.R.; Light-Wahl, K.J.

    1992-09-01

    The technique of electrospray ionization (ESI) has significantly extended the ability to characterize large molecules by mass spectrometry. Proteins to at least 200,000 D can be transferred intact to the gas phase and molecular weights determined with precisions as high as 0.001% if individual charge states can be resolved. The ESI-MS can also serve as a near ideal interface and detector for capillary column separations providing a basis for highly efficient sample utilization. Using capillary electrophoresis (CE)-MS, injection quantities in the 10{sup {minus}18} mole range can be detected for smaller polypeptides using selected ion monitoring, and separation efficiencies as high as 5{center_dot}10{sup 5} theoretical plates have been realized. We have recently shown that the use of small 5 {mu}m i.d. capillaries allows CE-MS with scanning detection for proteins for injection of 600 attomoles.

  10. Comparison of Two Methods for the Determination of the Effects of Ionizing Radiation on Blood Cell Counts in Mice

    PubMed Central

    Romero-Weaver, Ana L.; Kennedy, Ann R.

    2012-01-01

    A reliable technique is needed to determine the effect of ionizing radiation on white blood cell (WBC) counts. Facilities that utilize automated methods can provide this service. However, utilizing external facilities can introduce additional variables, such as differences between time of sample collection and time of sample processing, which may affect the results. The purpose of the present study was to determine whether an automated method at an external facility can accurately determine radiation-induced changes in total WBC, lymphocyte and granulocyte counts when samples are analyzed at periods of time up to 24 hours after collection and stored either at room temperature or at 4°C. To accomplish this, we compared automated blood cell counts determined at an external facility with our manual blood cell counts processed immediately after sample collection or 24 h after sample collection and stored either at room temperature or 4°C from mice exposed to 2 Gy proton or 2 Gy gamma radiation. Our results show a close correlation and good agreement between the two methods, indicating that neither a delay of 24 hours in sample processing nor storage temperature affected white blood cell counts. Analysis of the effects of radiation on blood cell counts by either manual or automated cell counts revealed a statistically significant decrease in lymphocyte and granulocyte counts at different days post-irradiation, with no statistically significant difference between the methods employed; therefore both manual and automated blood cell counts are reliable methods to determine the effects of ionizing radiation in blood cells. PMID:23450807

  11. Creating a strategy for science-based national policy: Addressing conflicting views on the health risk of low-level ionizing radiation. Final report, Wingspread Conference

    SciTech Connect

    McClellan, Roger O.; Apple, Martin A.

    1998-03-03

    Significant cancer risk for adults exposed to more than 100 millisieverts (10 REM) of ionizing radiation. More research on low-level ionizing radiation is needed in molecular and cellular mechanisms of injury and ongoing exposed populations. Implementation costs should be considered in regulating low-level ionizing radiation. Comparative risk assessment is a powerful tool for risk-based policy formation, and conflicting legal statutes should become harmonized for radiation regulation. More public dialog on low-level radiation is needed. A high level commission should evaluate radiation hazard control practices.

  12. Efficient Methods to Generate Reproducible Mass Spectra in Matrix-Assisted Laser Desorption Ionization of Peptides

    NASA Astrophysics Data System (ADS)

    Ahn, Sung Hee; Park, Kyung Man; Bae, Yong Jin; Kim, Myung Soo

    2013-06-01

    In our previous matrix-assisted laser desorption ionization (MALDI) studies of peptides, we found that their mass spectra were virtually determined by the effective temperature in the early matrix plume, Tearly, when samples were rather homogeneous. This empirical rule allowed acquisition of quantitatively reproducible spectra. A difficulty in utilizing this rule was the complicated spectral treatment needed to get Tearly. In this work, we found another empirical rule that the total number of particles hitting the detector, or TIC, was a good measure of the spectral temperature and, hence, selection of spectra with the same TIC resulted in reproducible spectra. We also succeeded in obtaining reproducible spectra throughout a measurement by controlling TIC near a preset value through feedback adjustment of laser pulse energy. Both TIC selection and TIC control substantially reduced the shot-to-shot spectral variation in a spot, spot-to-spot variation in a sample, and even sample-to-sample variation in MALDI using α-cyano-4-hydroxycinnamic acid or 2,5-dihydroxybenzoic acid as matrix. Based on the utilization of acquired data, TIC control was more efficient than TIC selection by an order of magnitude. Both techniques produced calibration curves with excellent linearity, suggesting their utility in quantification of peptides.

  13. Computational Calculation Of The Ionization Energies Of The Human Prion Protein By The Coarse-grain Method

    NASA Astrophysics Data System (ADS)

    Lyu, Justin; Andrianarijaona, V. M.

    2016-05-01

    The causes of the misfolding of prion protein -i.e. the transformation of PrPC to PrPSc - have not been clearly elucidated. Many studies have focused on identifying possible chemical conditions, such as pH, temperature and chemical denaturation, that may trigger the pathological transformation of prion proteins (Weiwei Tao, Gwonchan Yoon, Penghui Cao, `` β-sheet-like formation during the mechanical unfolding of prion protein'', The Journal of Chemical Physics, 2015, 143, 125101). Here, we attempt to calculate the ionization energies of the prion protein, which will be able to shed light onto the possible causes of the misfolding. We plan on using the coarse-grain method which allows for a more feasible calculation time by means of approximation. We believe that by being able to approximate the ionization potential, particularly that of the regions known to form stable β-strands of the PrPSc form, the possible sources of denaturation, be it chemical or mechanical, may be narrowed down.

  14. Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling

    SciTech Connect

    Wang, Zhifan; Hu, Shu; Guo, Jingwei; Wang, Fan

    2015-04-14

    In this work, we report implementation of the equation-of-motion coupled-cluster method for doubly ionized states (EOM-DIP-CC) with spin-orbit coupling (SOC) using a closed-shell reference. Double ionization potentials (DIPs) are calculated in the space spanned by 2h and 3h1p determinants with the EOM-DIP-CC approach at the CC singles and doubles level (CCSD). Time-reversal symmetry together with spatial symmetry is exploited to reduce computational effort. To circumvent the problem of unstable dianion references when diffuse basis functions are included, nuclear charges are scaled. Effect of this stabilization potential on DIPs is estimated based on results from calculations using a small basis set without diffuse basis functions. DIPs and excitation energies of some low-lying states for a series of open-shell atoms and molecules containing heavy elements with two unpaired electrons have been calculated with the EOM-DIP-CCSD approach. Results show that this approach is able to afford a reliable description on SOC splitting. Furthermore, the EOM-DIP-CCSD approach is shown to provide reasonable excitation energies for systems with a dianion reference when diffuse basis functions are not employed.

  15. N-alkylpyridinium quaternization combined with liquid chromatography-electrospray ionization-tandem mass spectrometry: A highly sensitive method to quantify fatty alcohols in thyroid tissues.

    PubMed

    Cao, Yanjing; Guan, Qing; Sun, Tuanqi; Wang, Hang; Leng, Jiapeng; Guo, Yinlong

    2014-11-07

    A highly sensitive method was developed for the identification and quantification of fatty alcohols in biological tissues. In the presence of pyridine-d0 and triflic anhydride (Tf2O), fatty alcohols were converted into permanently charged N-alkylpyridinium ions. Stable isotope-labeled derivatives were generated by pyridine-d5 and added as internal standard (IS). The mixture was analyzed by liquid chromatography coupled to positive electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS). This method was optimized and validated in terms of reaction time, derivatization efficiency, stability, desalting, and ion suppression effect. Besides, fatty alcohols exhibited good linear relationship (r(2)>0.993) over the concentration range of 10 ngmL(-1)-1 μgmL(-1). The limits of detection (LODs) were lowered from previously reported 0.1 ngmL(-1) to 0.25 pgmL(-1). Precision (RSD%<15.6%), accuracy (93.0-107.2%), matrix effect, and recovery (in thyroid tissues) were validated as well. Finally, this method was applied for the analysis of ten even carbon-numbered fatty alcohols (C8-C24) in human thyroid carcinoma and para-carcinoma tissues, revealing a significant decrease of fatty alcohols (free and esterified) in thyroid carcinoma tissues (p<0.05).

  16. Genome Wide Evaluation of Normal Human Tissue in Response to Controlled, In vivo Low-Dose Low LET Ionizing Radiation Exposure: Pathways and Mechanisms Final Report, September 2013

    SciTech Connect

    Rocke, David M.

    2013-09-09

    During course of this project, we have worked in several areas relevant to low-dose ionizing radiation. Using gene expression to measure biological response, we have examined the response of human skin exposed in-vivo to radation, human skin exposed ex-vivo to radiation, and a human-skin model exposed to radiation. We have learned a great deal about the biological response of human skin to low-dose ionizing radiation.

  17. Development and validation of a gas chromatography-flame ionization detection method for quantifying sucrose in equine serum.

    PubMed

    Hewetson, Michael; Aaltonen, Kaisa; Tulamo, Riitta-Mari; Sankari, Satu

    2014-03-01

    A simple and accurate method for quantifying sucrose in equine serum that can be applied to sucrose permeability testing in the horse was developed and validated using gas chromatography with flame ionization detection. The assay provided an acceptable degree of linearity, accuracy, and precision at concentrations of sucrose as low as 2.34 μmol/l and as high as 20.45 μmol/l. Percentage recovery of sucrose from serum ranged from 89% to 102%; repeatability and intermediate precision (relative standard deviation) ranged from 3.6% to 6.7% and 4.1% to 9.3%, respectively. The limit of detection was 0.73 μmol/l. No interfering peaks were observed except lactose, which gave 2 peaks, one of which overlapped partially with sucrose. To evaluate the suitability of the method for quantifying sucrose in serum samples from horses with naturally occurring gastric ulceration, 10 horses with and without naturally occurring gastric ulceration were subjected to sucrose permeability testing. All horses demonstrated an increase in serum sucrose concentration over time following oral administration of sucrose; however, the increase from baseline was significant for horses with gastric ulceration at 45 min (P = 0.0082) and 90 min (P = 0.0082) when compared with healthy horses. It was concluded that gas chromatography with flame ionization detection is a valid method for quantifying sucrose in equine serum and can be applied directly to the analysis of sucrose in equine serum as part of a larger validation study aimed at developing a blood test for the diagnosis of gastric ulcers in horses.

  18. Final report on the Copper Mountain conference on multigrid methods

    SciTech Connect

    1997-10-01

    The Copper Mountain Conference on Multigrid Methods was held on April 6-11, 1997. It took the same format used in the previous Copper Mountain Conferences on Multigrid Method conferences. Over 87 mathematicians from all over the world attended the meeting. 56 half-hour talks on current research topics were presented. Talks with similar content were organized into sessions. Session topics included: fluids; domain decomposition; iterative methods; basics; adaptive methods; non-linear filtering; CFD; applications; transport; algebraic solvers; supercomputing; and student paper winners.

  19. Resonance-enhanced multiphoton ionization and VUV-single photon ionization as soft and selective laser ionization methods for on-line time-of-flight mass spectrometry: investigation of the pyrolysis of typical organic contaminants in the steel recycling process.

    PubMed

    Cao, L; Mühlberger, F; Adam, T; Streibel, T; Wang, H Z; Kettrup, A; Zimmermann, R

    2003-11-01

    A newly conceived compact and mobile time-of flight mass spectrometer (TOFMS) for real-time monitoring of highly complex gas mixtures is presented. The device utilizes two selective and sensitive soft ionization techniques, viz., resonance-enhanced multiphoton ionization (REMPI) and single-photon ionization (SPI) in a (quasi)-simultaneous mode. Both methods allow a fragmentationless ionization. The REMPI method selectively addresses aromatic species, while with SPI applying vacuum ultaviolet light (118 nm) in principle all compounds with an ionization potential below 10.5 eV are accessible. This provides comprehensive information of the chemical composition of complex matrixes. The combustion and pyrolysis behavior of five organic materials typically used in steel processing in China was studied. The trace amounts of organic compounds in the gas phase during combustion and pyrolysis were monitored selectively and sensitively by real-time SPI/REMPI-TOFMS. The measurements were carried out at several constant temperatures in the range from 300 to 1190 degrees C in both synthetic air and nitrogen. Timely resolved mass spectra reveal the formation and subsequent growth of aromatic molecules. At lower temperatures, highly alkylated PAHs predominate, while at temperatures above 800 degrees C, the more stable benzene and PAHs without side chains prevail. Potential hyphenation of SPI/REMPI-TOFMS to methods of thermal analysis is discussed.

  20. Interdisciplinary Curriculum Development in Hospital Methods Improvement. Final Report.

    ERIC Educational Resources Information Center

    Watt, John R.

    The major purpose of this project was to develop a "package" curriculum of Hospital Methods Improvement techniques for college students in health related majors. The elementary Industrial Engineering methods for simplifying work and saving labor were applied to the hospital environment and its complex of problems. The report's…

  1. Sixth Copper Mountain Conference on Multigrid Methods. Final report

    SciTech Connect

    Not Available

    1994-07-01

    During the 5-day meeting, 112 half-hour talks on current research topics were presented. Session topics included: fluids, domain decomposition, iterative methods, Basics I and II, adaptive methods, nonlinear filtering, CFD I, II, and III, applications, transport, algebraic solvers, supercomputing, and student paper winners.

  2. A Reliable and Simple Method for Fabricating a Poly(Dimethylsiloxane) Electrospray Ionization Chip with a Corner-Integrated Emitter

    PubMed Central

    Qian, Xiang; Xu, Jie; Yu, Cilong; Chen, Yan; Yu, Quan; Ni, Kai; Wang, Xiaohao

    2015-01-01

    Monolithically integrated emitters have been increasingly applied to microfluidic devices that are coupled to mass spectrometers (MS) as electrospray ionization sources (ESI). A new method was developed to fabricate a duplicable structure which integrated the emitter into a poly(dimethylsiloxane) chip corner. Two photoresist layers containing a raised base which guaranteed the precise integration of the electrospray tip emitter and ensured that the cutting out of the tip exerted no influence even during repeated prototyping were used to ease the operation of the process. Highly stable ESI-MS performance was obtained and the results were compared with those of a commercial fused-silica capillary source. Furthermore, chip-to-chip and run-to-run results indicated both reliability and reproducibility during repeated fabrication. These results reveal that the proposed chip can provide an ideal ion source for MS across many applications, especially with the perspective to be widely used in portable MS during on-site analysis. PMID:25894936

  3. THORs Power Method for Hydrokinetic Devices - Final Report

    SciTech Connect

    J. Turner Hunt; Joel Rumker

    2012-08-08

    Ocean current energy represents a vast untapped source of renewable energy that exists on the outer continental shelf areas of the 5 major continents. Ocean currents are unidirectional in nature and are perpetuated by thermal and salinity sea gradients, as well as coriolis forces imparted from the earth's rotation. This report details THORs Power Method, a breakthrough power control method that can provide dramatic increases to the capacity factor over and above existing marine hydrokinetic (MHK) devices employed in the extraction of energy from ocean currents. THORs Power Method represents a constant speed, variable depth operational method that continually locates the ocean current turbine at a depth at which the rated power of the generator is routinely achieved. Variable depth operation is achieved by using various vertical force effectors, including ballast tanks for variable weight, a hydrodynamic wing for variable lift or down force and drag flaps for variable vehicle drag forces.

  4. Spectral methods applied to fluidized bed combustors. Final report

    SciTech Connect

    Brown, R.C.; Christofides, N.J.; Junk, K.W.; Raines, T.S.; Thiede, T.D.

    1996-08-01

    The objective of this project was to develop methods for characterizing fuels and sorbents from time-series data obtained during transient operation of fluidized bed boilers. These methods aimed at determining time constants for devolatilization and char burnout using carbon dioxide (CO{sub 2}) profiles and from time constants for the calcination and sulfation processes using CO{sub 2} and sulfur dioxide (SO{sub 2}) profiles.

  5. Ionizing radiation

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This chapter gives a comprehensive review on ionizing irradiation of fresh fruits and vegetables. Topics include principles of ionizing radiation, its effects on pathogenic and spoilage microorganisms, shelf-life, sensory quality, nutritional and phytochemical composition, as well as physiologic and...

  6. Final Report: Symposium on Adaptive Methods for Partial Differential Equations

    SciTech Connect

    Pernice, Michael; Johnson, Christopher R.; Smith, Philip J.; Fogelson, Aaron

    1998-12-08

    Complex physical phenomena often include features that span a wide range of spatial and temporal scales. Accurate simulation of such phenomena can be difficult to obtain, and computations that are under-resolved can even exhibit spurious features. While it is possible to resolve small scale features by increasing the number of grid points, global grid refinement can quickly lead to problems that are intractable, even on the largest available computing facilities. These constraints are particularly severe for three dimensional problems that involve complex physics. One way to achieve the needed resolution is to refine the computational mesh locally, in only those regions where enhanced resolution is required. Adaptive solution methods concentrate computational effort in regions where it is most needed. These methods have been successfully applied to a wide variety of problems in computational science and engineering. Adaptive methods can be difficult to implement, prompting the development of tools and environments to facilitate their use. To ensure that the results of their efforts are useful, algorithm and tool developers must maintain close communication with application specialists. Conversely it remains difficult for application specialists who are unfamiliar with the methods to evaluate the trade-offs between the benefits of enhanced local resolution and the effort needed to implement an adaptive solution method.

  7. An Evaluation of the New Approach Method--Final Report.

    ERIC Educational Resources Information Center

    Powers, Donald E.

    The New Approach Method (NAM) is an innovative reading program relying heavily on a phonics approach. The mode of presentation is a cassette tape recorder, which the child is taught to operate at the beginning of the program. The NAM lessons were administered to children at four NAM mini centers; a group of parents administered the NAM lessons to…

  8. Method development for the characterization of biofuel intermediate products using gas chromatography with simultaneous mass spectrometric and flame ionization detections.

    PubMed

    Sťávová, Jana; Stahl, Danese C; Seames, Wayne S; Kubátová, Alena

    2012-02-10

    Accurate analytical methods are required to develop and evaluate the quality of new renewable transportation fuels and intermediate organic liquid products (OLPs). Unfortunately, existing methods developed for the detailed characterization of petroleum products, are not accurate for many of the OLPs generated from non-petroleum feedstocks. In this study, a method was developed and applied to the detailed characterization of complex OLPs formed during triacylglyceride (TG) pyrolysis which is the basis for generating one class of emerging biofuels. This method uses gas chromatography coupled simultaneously with flame ionization and mass spectrometry detectors (GC-FID/MS). The FID provided accurate quantification of carbonaceous species while MS enabled identification of unknown compounds. A programed temperature vaporizer using a 25 °C, 0.1 min, 720 °C min(-1), 350 °C, 5 min temperature program is employed which minimizes compound discrimination better than the more commonly utilized split/splitless injector, as verified with injections at 250 and 350 °C. Two standard mixtures featuring over 150 components are used for accurate identification and a designed calibration standard accounts for compound discrimination at the injector and differing FID responses of various classes of compounds. This new method was used to identify and quantify over 250 species in OLPs generated from canola oil, soybean oil, and canola methyl ester (CME). In addition to hydrocarbons, the method was used to quantify polar (upon derivatization) and unidentified species, plus the unresolved complex mixture that has not typically been determined in previous studies. Repeatability of the analytical method was below 5% RSD for all individual components. Using this method, the mass balance was closed for samples derived from canola and soybean oil but only ca. 77 wt% of the OLP generated from CME could be characterized. The ability to close the mass balance depended on sample origin

  9. A method for high-sensitivity peptide sequencing using postsource decay matrix-assisted laser desorption ionization mass spectrometry

    PubMed Central

    Keough, T.; Youngquist, R. S.; Lacey, M. P.

    1999-01-01

    A method has been developed for de novo peptide sequencing using matrix-assisted laser desorption ionization mass spectrometry. This method will facilitate biological studies that require rapid determination of peptide or protein sequences, e.g., determination of posttranslational modifications, identification of active compounds isolated from combinatorial peptide libraries, and the selective identification of proteins as part of proteome studies. The method involves fast, one-step addition of a sulfonic acid group to the N terminus of tryptic peptides followed by acquisition of postsource decay (PSD) fragment ion spectra. The derivatives are designed to promote efficient charge site-initiated fragmentation of the backbone amide bonds and to selectively enhance the detection of a single fragment ion series that contains the C terminus of the molecule (y-ions). The overall method has been applied to pmol quantities of peptides. The resulting PSD fragment ion spectra often exhibit uninterrupted sequences of 20 or more amino acid residues. However, fragmentation efficiency decreases considerably at amide bonds on the C-terminal side of Pro. The spectra are simple enough that de novo sequence tagging is routine. The technique has been successfully applied to peptide mixtures, to high-mass peptides (up to 3,600 Da) and to the unambiguous identification of proteins isolated from two-dimensional gel electrophoresis. The PSD spectra of these derivatized peptides often allow far more selective protein sequence database searches than those obtained from the spectra of native peptides. PMID:10377380

  10. Energy-economy study methods and transit cases. Final report

    SciTech Connect

    Henderson, C.; Ellis, H.T.

    1981-07-01

    The purpose of this report is to describe energy economy study methods that are now available for practical use. The report discusses methods of estimating energy demands in Chapter II. Three heavy rail transit systems and two bus systems (Chapters III to VII) are described in terms of their development history, physical characteristics, operations, service, and energy demands. Estimates are made for the direct and indirect energy demands for the systems and energy economy studies of hypothetical alternatives for operations, equipment, or facilities are presented for the following systems: PATH (Port Authority Trans-Hudson) rail system; BART (Bay Area Rapid Transit District) rail system; AC Transit (Alameda-Contra Costa Transit District) bus system; Washington Metropolitan Area Transit Authority (WMATA) Metrobus and Metrorail systems. Chapter VIII discusses a number of opportunities to conduct energy economy studies, and presents quantitative data for three comparisons of hypothetical alternatives. Some infomation from actual settings was used. (MCW)

  11. Spectral methods and sum acceleration algorithms. Final report

    SciTech Connect

    Boyd, J.

    1995-03-01

    The principle investigator pursued his investigation of numerical algorithms during the period of the grant. The attached list of publications is so lengthy that it is impossible to describe them in detail. However, the author calls attention to the four articles on sequence acceleration and fourteen more on spectral methods, which fulfill the goals of the original proposal. He also continued his research on nonlinear waves, and wrote a dozen papers on this, too.

  12. Electrospray ionization time-of-flight mass spectrum analysis method of polyaluminum chloride flocculants.

    PubMed

    Feng, Chenghong; Bi, Zhe; Tang, Hongxiao

    2015-01-06

    Electrospray mass spectrometry has been reported as a novel technique for Al species identification, but to date, the working mechanism is not clear and no unanimous method exists for spectrum analysis of traditional Al salt flocculants, let alone for analysis of polyaluminum chloride (PAC) flocculants. Therefore, this paper introduces a novel theoretical calculation method to identify Al species from a mass spectrum, based on deducing changes in m/z (mass-to-charge ratio) and molecular formulas of oligomers in five typical PAC flocculants. The use of reference chemical species was specially proposed in the method to guarantee the uniqueness of the assigned species. The charge and mass reduction of the Al cluster was found to proceed by hydrolysis, gasification, and change of hydroxyl on the oxy bridge. The novel method was validated both qualitatively and quantitatively by comparing the results to those obtained with the (27)Al NMR spectrometry.

  13. Development of Mass Spectrometric Ionization Methods for Fullerenes and Fullerene Derivatives

    EPA Science Inventory

    Currently investigations into the environmental behavior of fullerenes and fullerene derivatives is hampered by the lack of well characterized standards and by the lack of readily available quantitative analytical methods. Reported herein are investigations into the utility of ma...

  14. Hydrogeological-Geophysical Methods for Subsurface Site Characterization - Final Report

    SciTech Connect

    Rubin, Yoram

    2001-01-01

    The goal of this research project is to increase water savings and show better ecological control of natural vegetation by developing hydrogeological-geophysical methods for characterizing the permeability and content of water in soil. The ground penetrating radar (GPR) tool was developed and used as the surface geophysical method for monitoring water content. Initial results using the tool suggest that surface GPR is a viable technique for obtaining precision volumetric water content profile estimates, and that laboratory-derived petrophysical relationships could be applied to field-scale GPR data. A field-scale bacterial transport study was conducted within an uncontaminated sandy Pleistocene aquifer to evaluate the importance of heterogeneity in controlling the transport of bacteria. Geochemical, hydrological, geological, and geophysical data were collected to characterize the site prior to and after chemical and bacterial injection experiments. Study results shows that, even within the fairly uniform shallow marine deposits of the narrow channel focus area, heterogeneity existed that influenced the chemical tracer transport over lateral distances of a few meters and vertical distances of less than a half meter. The interpretation of data suggest that the incorporation of geophysical data with limited hydrological data may provide valuable information about the stratigraphy, log conductivity values, and the spatial correlation structure of log conductivity, which have traditionally been obtainable only by performing extensive and intrusive hydrological sampling.

  15. A gaseous radiochemical method for registration of ionizing radiation and its possible applications in science and economy

    NASA Astrophysics Data System (ADS)

    Lebedev, S. G.; Akulinichev, S. V.; Iljinov, A. S.; Yants, V. E.

    2006-05-01

    This work presents a new possibility of registration of ionizing radiation by the flowing gaseous radiochemical method (FGRM). The specified method uses the property of some solid crystalline lattice materials for a free emission of radioactive isotopes of inert gas atoms formed as a result of nuclear reactions. Generated in an ampoule of the detector, the radioactive inert gases are transported by a gas-carrier into the proportional gas counter of the flowing type, where the decay rate of the radioactive gas species is measured. This quantity is unequivocally related to the flux of particles (neutrons, protons, light and heavy ions) at the location of the ampoule. The method was used to monitor the neutron flux of the pulsed neutron target “RADEX” driven by the linear proton accelerator of INR RAS. Further progress of the FGRM may give rise to possible applications in nuclear physics, astrophysics and medicine, in the nondestructive control of fissionable materials, diagnostics of thermonuclear plasma, monitoring of fluxes and measurement of spectra of bombarding particles.

  16. Quasi-simultaneous acquisition of hard electron ionization and soft single-photon ionization mass spectra during GC/MS analysis by rapid switching between both ionization methods: analytical concept, setup, and application on diesel fuel.

    PubMed

    Eschner, Markus S; Gröger, Thomas M; Horvath, Thomas; Gonin, Marc; Zimmermann, Ralf

    2011-05-15

    This work describes the realization of rapid switching between hard electron ionization (EI) and soft single-photon ionization (SPI) integrated in a compact orthogonal acceleration time-of-flight mass spectrometer. Vacuum-ultraviolet (VUV) photons of 9.8 eV (126 nm) emitted from the innovative electron-beam-pumped rare-gas excimer light source (EBEL) filled with argon are focused into the ion chamber by an ellipsoidal mirror optic for accomplishing of SPI. This novel orthogonal acceleration time-of-flight mass spectrometer with switching capability was hyphenated to one-dimensional gas chromatography (GC) and comprehensive two-dimensional (2D) gas chromatography (GC × GC) for the first time. Within this demonstration study, a maximum switching frequency of 80 Hz was applied for investigation of a mineral-oil-type diesel sample. This approach allows the quasi-simultaneous acquisition of complementary information about the fragmentation pattern (EI) as well as the molecular mass (SPI) of compounds within a single analysis. Furthermore, by application of a polar GC column for separation, the SPI data can be displayed in a 2D contour plot, leading to a comprehensive 2D characterization (GC × MS), whereas the typical group-type assignment for diesel is also met.

  17. Workshop on molecular methods for genetic diagnosis. Final technical report

    SciTech Connect

    Rinchik, E.M.

    1997-07-01

    The Sarah Lawrence College Human Genetics Program received Department of Energy funding to offer a continuing medical education workshop for genetic counselors in the New York metropolitan area. According to statistics from the National Society of Genetic Counselors, there are approximately 160 genetic counselors working in the tri-state area (New York, New Jersey, and Connecticut), and many of them had been working in the field for more than 10 years. Thus, there was a real need to offer these counselors an in-depth opportunity to learn the specifics of the major advances in molecular genetics, and, in particular, the new approaches to diagnostic testing for genetic disease. As a result of the DOE Award DE-FG02-95ER62048 ($20,583), in July 1995 we offered the {open_quotes}Workshop on Molecular Methods for Genetic Diagnosis{close_quotes} for 24 genetic counselors in the New York metropolitan area. The workshop included an initial review session on the basics of molecular biology, lectures and discussions on past and current topics in molecular genetics and diagnostic procedures, and, importantly, daily laboratory exercises. Each counselor gained not only background, but also firsthand experience, in the major techniques of biochemical and molecular methods for diagnosing genetic diseases as well as in mathematical and computational techniques involved in human genetics analyses. Our goal in offering this workshop was not to make genetic counselors experts in these laboratory diagnostic techniques, but to acquaint them, by hands-on experience, about some of the techniques currently in use. We also wanted to provide them a technical foundation upon which they can understand and appreciate new technical developments arising in the near future.

  18. [A plain method of prediction of visibility of peptides in mass spectrometry with electrospray ionization].

    PubMed

    Rybina, A V; Skvortsov, V S; Kopylov, A T; Zgoda, V G

    2014-01-01

    A new method for screening of essential peptides for protein detection and quantification analysis in the direct positive electrospray mass spectrometry has been proposed. Our method is based on the prediction of the normalized abundance of the mass spectrometric peaks using a linear regression model. This method has the following limitations: (i) selected peptides should be taken so that at pH 2.5 the tested peptides must be presented mainly as the 2+ and 3+ ions; (ii) only peptides having C-terminal lysine or arginine residues are considered. The amino acid composition of the peptide, the peptide concentration, the ratio of the polar surface of peptide to common surface and ratio of the polar volume to common volume are used as independent variables in equation. Several combinations of variables were considered and the best linear regression model had a determination coefficient in leave-one-out validation procedure equal 0.54. This model confidently discriminates peptides with high response ability and peptides with low response ability, and therefore it allows to select only the most promising peptides. This screening method, a plain and fast, can be successfully applied to reduce the list of observed peptides.

  19. A review of plant decontamination methods: 1988 Update: Final report

    SciTech Connect

    Remark, J.F.

    1989-01-01

    This document updates the state-of-the-art in decontamination technology since the publication of the previous review (EPRI NP- 1128) in May 1981. A brief description of the corrosion-film characteristics is presented as well as corrosion film differences between a BWR and PWR. The generation transportation, activation, and deposition of the radioisotopes found throughout the reactor coolant system is also discussed. Successful, well executed, decontamination campaigns are always preceded by meticulous planning and careful procedure preparation which include contingency operations. The Decontamination Planning and Preparation Section describes the technical planning steps as well as the methodology that should be followed in order to select the optimum decontamination technique for a specific application. A review of a number of the decontamination methods commercialized since 1980 is presented. The basic mechanism for each process is described as well as specific applications of the technology in the fields. Where possible, results obtained in the field are presented. The information was obtained from industry vendors as well as personnel at the plant locations that have utilized the technology. 72 refs., 5 tabs.

  20. Research on stochastic power-flow study methods. Final report

    SciTech Connect

    Heydt, G. T.

    1981-01-01

    A general algorithm to determine the effects of uncertainty in bus load and generation on the output of conventional power flow analysis is presented. The use of statistical moments is presented and developed as a means for representing the stochastic process. Statistical moments are used to describe the uncertainties, and facilitate the calculations of single and multivarlate probability density functions of input and output variables. The transformation of the uncertainty through the power flow equations is made by the expansion of the node equations in a multivariate Taylor series about an expected operating point. The series is truncated after the second order terms. Since the power flow equations are nonlinear, the expected values of output quantities is in general not the solution to the conventional load flow problem using expected values of input quantities. The second order transformation offers a correction vector and allows the consideration of larger uncertainties which have caused significant error in the current linear transformation algorithms. Voltage controlled busses are included with consideration of upper and lower limits. The finite reactive power available at generation sites, and fixed ranges of transformer tap movement may have a significant effect on voltage and line power flow statistics. A method is given which considers limitation constraints in the evaluation of all output quantities. The bus voltages, line power flows, transformer taps, and generator reactive power requirements are described by their statistical moments. Their values are expressed in terms of the probability that they are above or below specified limits, and their expected values given that they do fall outside the limits. Thus the algorithm supplies information about severity of overload as well as probability of occurrence. An example is given for an eleven bus system, evaluating each quantity separately. The results are compared with Monte Carlo simulation.

  1. Spin-orbit coupling with approximate equation-of-motion coupled-cluster method for ionization potential and electron attachment

    NASA Astrophysics Data System (ADS)

    Cao, Zhanli; Wang, Fan; Yang, Mingli

    2016-10-01

    Various approximate approaches to calculate cluster amplitudes in equation-of-motion coupled-cluster (EOM-CC) approaches for ionization potentials (IP) and electron affinities (EA) with spin-orbit coupling (SOC) included in post self-consistent field (SCF) calculations are proposed to reduce computational effort. Our results indicate that EOM-CC based on cluster amplitudes from the approximate method CCSD-1, where the singles equation is the same as that in CCSD and the doubles amplitudes are approximated with MP2, is able to provide reasonable IPs and EAs when SOC is not present compared with CCSD results. It is an economical approach for calculating IPs and EAs and is not as sensitive to strong correlation as CC2. When SOC is included, the approximate method CCSD-3, where the same singles equation as that in SOC-CCSD is used and the doubles equation of scalar-relativistic CCSD is employed, gives rise to IPs and EAs that are in closest agreement with those of CCSD. However, SO splitting with EOM-CC from CC2 generally agrees best with that with CCSD, while that of CCSD-1 and CCSD-3 is less accurate. This indicates that a balanced treatment of SOC effects on both single and double excitation amplitudes is required to achieve reliable SO splitting.

  2. LDRD Final Report: Adaptive Methods for Laser Plasma Simulation

    SciTech Connect

    Dorr, M R; Garaizar, F X; Hittinger, J A

    2003-01-29

    The goal of this project was to investigate the utility of parallel adaptive mesh refinement (AMR) in the simulation of laser plasma interaction (LPI). The scope of work included the development of new numerical methods and parallel implementation strategies. The primary deliverables were (1) parallel adaptive algorithms to solve a system of equations combining plasma fluid and light propagation models, (2) a research code implementing these algorithms, and (3) an analysis of the performance of parallel AMR on LPI problems. The project accomplished these objectives. New algorithms were developed for the solution of a system of equations describing LPI. These algorithms were implemented in a new research code named ALPS (Adaptive Laser Plasma Simulator) that was used to test the effectiveness of the AMR algorithms on the Laboratory's large-scale computer platforms. The details of the algorithm and the results of the numerical tests were documented in an article published in the Journal of Computational Physics [2]. A principal conclusion of this investigation is that AMR is most effective for LPI systems that are ''hydrodynamically large'', i.e., problems requiring the simulation of a large plasma volume relative to the volume occupied by the laser light. Since the plasma-only regions require less resolution than the laser light, AMR enables the use of efficient meshes for such problems. In contrast, AMR is less effective for, say, a single highly filamented beam propagating through a phase plate, since the resulting speckle pattern may be too dense to adequately separate scales with a locally refined mesh. Ultimately, the gain to be expected from the use of AMR is highly problem-dependent. One class of problems investigated in this project involved a pair of laser beams crossing in a plasma flow. Under certain conditions, energy can be transferred from one beam to the other via a resonant interaction with an ion acoustic wave in the crossing region. AMR provides an

  3. A method to assess genomic DNA methylation using high-performance liquid chromatography/electrospray ionization mass spectrometry.

    PubMed

    Friso, Simonetta; Choi, Sang-Woon; Dolnikowski, Gregory G; Selhub, Jacob

    2002-09-01

    Eukaryotic DNA is methylated at some cytosine residues, and this epigenetic feature performs critical functions. We developed a method for quantitative determination of 5-methyl-2'-deoxycytidine in human DNA using liquid chromatography/electrospray ionization mass spectrometry (LC/ESI-MS). The DNA was enzymatically hydrolyzed by sequential digestion with three enzymes. DNA hydrolyzates were subsequently separated by reversed-phase high-performance liquid chromatography in isocratic mode. The four major DNA bases and 5-methyl-2'-deoxycytidine were resolved and eluted in 13 min. Identification of 2'-deoxycytidine and 5-methyl-2'-deoxycytidine was obtained by combined diode array UV spectra analysis and mass spectra of chromatographic peaks. The isotopomers [15N3]-2'-deoxycytidine and (methyl-d3,ring-6-d1)-5-methyl-2'-deoxycytidine were used as internal standards. Ions of m/z 126 and 130 were used to detect 5-methyl-2'-deoxycytidine and its isotopomer, and ions of m/z 112 and 115 were used to detect 2'-deoxycytidine and its stable isotopomer, respectively. The DNA methylation status was calculated on the basis of the amount of 5-methyl-2'-deoxycytidine per microgram of DNA with percent relative standard deviations (%RSD) for a method precision of 7.1 (within-day) and 5.7 (day-to-day). This method also allows the measurement of 5-methyl-2'-deoxycytidine expressed as a percentage of total deoxycytidine residues in genomic DNA with %RSD for method precision of 1.9 (within-day) and 1.7 (day-to-day). This LC/MS method for quantitative determination of genomic DNA methylation status is rapid, sensitive, selective, and precise.

  4. A SIMPLE AND RAPID MATRIX-ASSISTED LASER DESORPTION/IONIZATION TIME OF FLIGHT MASS SPECTROMETRY METHOD TO SCREEN FISH PLASMA SAMPLES FOR ESTROGEN-RESPONSIVE BIOMARKERS

    EPA Science Inventory

    In this study, we describe and evaluate the performance of a simple and rapid mass spectral method for screening fish plasma for estrogen-responsive biomarkers using matrix assisted laster desorption/ionization time of flight mass spectrometry (MALDI-TOF-MS) couopled with a short...

  5. Matrix-assisted laser desorption ionization-time of flight mass spectrometry is a sensitive and specific method for identification of aerococci.

    PubMed

    Senneby, Erik; Nilson, Bo; Petersson, Ann-Cathrine; Rasmussen, Magnus

    2013-04-01

    Conventional methods for the identification of human-pathogenic aerococci to the species level are not reliable. We show that matrix-assisted laser desorption ionization-time of flight mass spectrometry correctly identifies aerococci to the species level and that it can be used to identify aerococci with high specificity in the diagnostic clinical microbiology laboratory.

  6. The Tremaine-Weinberg Method for Pattern Speeds Using Hα Emission from Ionized Gas

    NASA Astrophysics Data System (ADS)

    Beckman, J. E.; Fathi, K.; Piñol, N.; Toonen, S.; Hernandez, O.; Carignan, C.

    2008-10-01

    The Fabry-Perot interferometer FaNTOmM was used at the 3.6-m CFHT and the 1.6-m Mont Mégantic Telescope to obtain data cubes in Hα of 9 nearby spiral galaxies from which maps in integrated intensity, velocity, and velocity dispersion were derived. We then applied the Tremaine-Weinberg method, in which the pattern speed can be deduced from its velocity field, by finding the integrated value of the mean velocity along a slit parallel to the major axis weighted by the intensity and divided by the weighted mean distance of the velocity points from the tangent point measured along the slit. The measured variables can be used either to make separate calculations of the pattern speed and derive a mean, or in a plot of one against the other for all the points on all slits, from which a best fit value can be derived. Linear fits were found for all the galaxies in the sample. For two galaxies a clearly separate inner pattern speed with a higher value, was also identified and measured.

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

    SciTech Connect

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

    2015-05-01

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

  8. Development and Validation of a Method for Alcohol Analysis in Brain Tissue by Headspace Gas Chromatography with Flame Ionization Detector.

    PubMed

    Chun, Hao-Jung; Poklis, Justin L; Poklis, Alphonse; Wolf, Carl E

    2016-10-01

    Ethanol is the most widely used and abused drug. While blood is the preferred specimen for analysis, tissue specimens such as brain serve as alternative specimens for alcohol analysis in post-mortem cases where blood is unavailable or contaminated. A method was developed using headspace gas chromatography with flame ionization detection (HS-GC-FID) for the detection and quantification of ethanol, acetone, isopropanol, methanol and n-propanol in brain tissue specimens. Unfixed volatile-free brain tissue specimens were obtained from the Department of Pathology at Virginia Commonwealth University. Calibrators and controls were prepared from 4-fold diluted homogenates of these brain tissue specimens, and were analyzed using t-butanol as the internal standard. The chromatographic separation was performed with a Restek BAC2 column. A linear calibration was generated for all analytes (mean r(2) > 0.9992) with the limits of detection and quantification of 100-110 mg/kg. Matrix effect from the brain tissue was determined by comparing the slopes of matrix prepared calibration curves with those of aqueous calibration curves; no significant differences were observed for ethanol, acetone, isopropanol, methanol and n-propanol. The bias and the CVs for all volatile controls were ≤10%. The method was also evaluated for carryover, selectivity, interferences, bench-top stability and freeze-thaw stability. The HS-GC-FID method was determined to be reliable and robust for the analysis of ethanol, acetone, isopropanol, methanol and n-propanol concentrations in brain tissue, effectively expanding the specimen options for post-mortem alcohol analysis.

  9. Direct Identification of Urinary Tract Pathogens from Urine Samples, Combining Urine Screening Methods and Matrix-Assisted Laser Desorption Ionization-Time of Flight Mass Spectrometry.

    PubMed

    Íñigo, Melania; Coello, Andreu; Fernández-Rivas, Gema; Rivaya, Belén; Hidalgo, Jessica; Quesada, María Dolores; Ausina, Vicente

    2016-04-01

    Early diagnosis of urinary tract infections (UTIs) is essential to avoid inadequate or unnecessary empirical antibiotic therapy. Microbiological confirmation takes 24 to 48 h. The use of screening methods, such as cytometry and automated microscopic analysis of urine sediment, allows the rapid prediction of negative samples. In addition, matrix-assisted laser desorption ionization-time of flight mass spectrometry (MALDI-TOF MS) is a widely established technique in clinical microbiology laboratories used to identify microorganisms. We evaluated the ability of MALDI-TOF MS to identify microorganisms from direct urine samples and the predictive value of automated analyzers for the identification of microorganisms in urine by MALDI-TOF MS. A total of 451 urine samples from patients with suspected UTIs were first analyzed using the Sysmex UF-1000iflow cytometer, an automatic sediment analyzer with microscopy (SediMax), culture, and then processed by MALDI-TOF MS with a simple triple-centrifuged procedure to obtain a pellet that was washed and centrifuged and finally applied directly to the MALDI-TOF MS plate. The organisms in 336 samples were correctly identified, mainly those with Gram-negative bacteria (86.10%). No microorganisms were misidentified, and noCandidaspp. were correctly identified. Regarding the data from autoanalyzers, the best bacteriuria cutoffs were 1,000 and 200 U/μl for UF-1000iand SediMax, respectively. It was concluded that the combination of a urine screening method and MALDI-TOF MS provided a reliable identification from urine samples, especially in those containing Gram-negative bacteria.

  10. SU-E-T-561: Development of Depth Dose Measurement Technique Using the Multilayer Ionization Chamber for Spot Scanning Method

    SciTech Connect

    Takayanagi, T; Fujitaka, S; Umezawa, M; Ito, Y; Nakashima, C; Matsuda, K

    2014-06-01

    Purpose: To develop a measurement technique which suppresses the difference between profiles obtained with a multilayer ionization chamber (MLIC) and with a water phantom. Methods: The developed technique multiplies the raw MLIC data by a correction factor that depends on the initial beam range and water equivalent depth. The correction factor is derived based on a Bragg curve calculation formula considering range straggling and fluence loss caused by nuclear reactions. Furthermore, the correction factor is adjusted based on several integrated depth doses measured with a water phantom and the MLIC. The measured depth dose profiles along the central axis of the proton field with a nominal field size of 10 by 10 cm were compared between the MLIC using the new technique and the water phantom. The spread out Bragg peak was 20 cm for fields with a range of 30.6 cm and 6.9 cm. Raw MLIC data were obtained with each energy layer, and integrated after multiplying by the correction factor. The measurements were performed by a spot scanning nozzle at Nagoya Proton Therapy Center, Japan. Results: The profile measured with the MLIC using the new technique is consistent with that of the water phantom. Moreover, 97% of the points passed the 1% dose /1mm distance agreement criterion of the gamma index. Conclusion: We have demonstrated that the new technique suppresses the difference between profiles obtained with the MLIC and with the water phantom. It was concluded that this technique is useful for depth dose measurement in proton spot scanning method.

  11. A novel method for analyzing solanesyl esters in tobacco leaves using atmospheric pressure chemical ionization/mass spectrometer.

    PubMed

    Ishida, Naoyuki

    2010-09-10

    A direct and simple method for analyzing solanesyl esters found in tobacco leaves was developed. Sample preparation was performed by accelerated solvent extractor 200 (ASE200) using n-hexane followed by evaporating solution in vacuo and dissolving residue with acetone. The separation of analytes was conducted through high-performance liquid chromatography (HPLC) equipped with an SIL-C18/5C column and the non-aqueous reversed phase chromatography (NARP) technique using acetone and acetonitrile as the mobile phase with a linear gradient. Atmospheric pressure chemical ionization/mass spectrometer (APCI/MS) in positive mode was used to detect solanesyl esters in the following conditions: capillary voltage 4000 V, corona current 10 microA, drying gas flow 5 mL/min, fragmentor voltage 200 V, nebulizer pressure 60 psi, and vaporizer temperature 500 degrees C. Each solanesyl ester was identified by the comparison of analyte with synthesized solanesyl esters. Quantification was conducted by selected ion monitoring (SIM) mode in order to detect the specific product ion (613.6 m/z) fragmented from solanesyl ester. The calibration curve was made in the range of 0.1-40 microg/mL with a regression coefficient over 0.999 on almost all solanesyl esters. The limit of detection (LOD) and limit of quantification (LOQ) ranged from 0.01 to 0.05 microg/mL and from 0.03 to 0.15 microg/mL, respectively, on the SIM mode of MS for quantification. Recovery (%) ranged from about 80 to 120%. The direct quantification using the developed method succeeded in showing a different amount and composition of solanesyl esters among various tobacco leaves.

  12. Ionization chamber

    DOEpatents

    Walenta, Albert H.

    1981-01-01

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

  13. IONIZATION CHAMBER

    DOEpatents

    Redman, W.C.; Shonka, F.R.

    1958-02-18

    This patent describes a novel ionization chamber which is well suited to measuring the radioactivity of the various portions of a wire as the wire is moved at a uniform speed, in order to produce the neutron flux traverse pattern of a reactor in which the wire was previously exposed to neutron radiation. The ionization chamber of the present invention is characterized by the construction wherein the wire is passed through a tubular, straight electrode and radiation shielding material is disposed along the wire except at an intermediate, narrow area where the second electrode of the chamber is located.

  14. Diclofenac in municipal wastewater treatment plant: quantification using laser diode thermal desorption--atmospheric pressure chemical ionization--tandem mass spectrometry approach in comparison with an established liquid chromatography-electrospray ionization-tandem mass spectrometry method.

    PubMed

    Lonappan, Linson; Pulicharla, Rama; Rouissi, Tarek; Brar, Satinder K; Verma, Mausam; Surampalli, Rao Y; Valero, José R

    2016-02-12

    Diclofenac (DCF), a prevalent non-steroidal anti-inflammatory drug (NSAID) is often detected in wastewater and surface water. Analysis of the pharmaceuticals in complex matrices is often laden with challenges. In this study a reliable, rapid and sensitive method based on laser diode thermal desorption/atmospheric pressure chemical ionization (LDTD/APCI) coupled with tandem mass spectrometry (MS/MS) has been developed for the quantification of DCF in wastewater and wastewater sludge. An established conventional LC-ESI-MS/MS (liquid chromatography-electrospray ionization-tandem mass spectrometry) method was compared with LDTD-APCI-MS/MS approach. The newly developed LDTD-APCI-MS/MS method reduced the analysis time to 12s in lieu of 12 min for LC-ESI-MS/MS method. The method detection limits for LDTD-APCI-MS/MS method were found to be 270 ng L(-1) (LOD) and 1000 ng L(-1) (LOQ). Furthermore, two extraction procedures, ultrasonic assisted extraction (USE) and accelerated solvent extraction (ASE) for the extraction of DCF from wastewater sludge were compared and ASE with 95.6 ± 7% recovery was effective over USE with 86 ± 4% recovery. The fate and partitioning of DCF in wastewater (WW) and wastewater sludge (WWS) in wastewater treatment plant was also monitored at various stages of treatment in Quebec Urban community wastewater treatment plant. DCF exhibited affinity towards WW than WWS with a presence about 60% of DCF in WW in contrary with theoretical prediction (LogKow=4.51).

  15. Clusters: Elucidating the dynamics of ionization events and ensuing reactions in the condensed phase. Final technical report, March 1, 1991--February 28, 1994

    SciTech Connect

    Castleman, A.W. Jr.

    1994-10-01

    Chemical reactions that proceed following either a photophysical or ionizing event, are directly influenced by the mechanisms of energy transfer and dissipation away from the site of absorption. Neighboring solvent or solute molecules can affect this by collisional deactivation (removal of energy), through effects in which dissociating molecules are kept in relatively close proximity for comparatively long periods of time due to the presence of the solvent, and in other ways where the solvent influences the energetics of the reaction coordinate. Research on clusters offers promise of elucidating the molecular details of these processes. The studies have focused on providing critical information on problems in radiation biology through investigations of reactions of molecules which simulate functional groups in biological systems, as they proceed following the absorption of ionizing radiation. The overall objective of the program has been to undertake basic underpinning research that contributes to a quantification of the behavior of radionuclides and pollutants associated with advanced energy activities after these materials emanate from their source and are transferred through the environment to the biota and human receptor. Some of the studies have dealt with the interaction of electromagnetic radiation with matter yielding new data that finds value in assessing photoinduced transformation of pollutants including reactions which take place on aerosol particles, as well as those of species which become transformed into aerosols as a result of their chemical and physical interactions.

  16. Effects of ionizing radiation and restraint stress on activity, avoidance conditioning, and stomach ulcers in albino rats. Final report October 1980-December 1981

    SciTech Connect

    Lanum, J.; Blick, D.W.; Campbell, M.E.; Wheeler, T.G.; Koger, S.A.

    1984-03-01

    In an experiment with albino rats, we have tried to model a nuclear attack scenario in which military personnel receiving 600 to 800 rads of ionizing radiation would be making a counterattack under the stress of an emergency situation. We used a dose of radiation that, though higher than the human exposure field, was estimated to be its physiological equivalent. Restraining the rat in an immobile position, a technique previously shown to have stressing qualities for rats, was chosen as an analogy to the stress of being in a war emergency. Activity and conditioned avoidance acquisition were chosen as test responses. Performance in the activity maze was affected only to a minor degree and in the direction of considering irradiation as activating. However, all irradiated groups showed retarded conditioned avoidance acquisition, which can be interpreted as decreased adaptability to a stressful situation. Further, our results support the expectation of performance decrements in the military scenario that could not be predicted by considering ionizing radiation in isolation. On the avoidance task, male rats in the combination stress-irradiation condition showed more failures to respond and longer response latencies than any other group. Female rats, on the other hand, showed shorter escape/avoidance latencies in the combined stress-irradiation condition than in the irradiation condition alone. This sex difference may be useful as a clue for investigating mechanisms of radiation resistance and interactions between stressors.

  17. Ambient ionization mass spectrometry

    NASA Astrophysics Data System (ADS)

    Lebedev, A. T.

    2015-07-01

    Ambient ionization mass spectrometry emerged as a new scientific discipline only about ten years ago. A considerable body of information has been reported since that time. Keeping the sensitivity, performance and informativity of classical mass spectrometry methods, the new approach made it possible to eliminate laborious sample preparation procedures and triggered the development of miniaturized instruments to work directly in the field. The review concerns the theoretical foundations and design of ambient ionization methods. Their advantages and drawbacks, as well as prospects for application in chemistry, biology, medicine, environmetal analysis, etc., are discussed. The bibliography includes 194 references.

  18. Characterization of low molecular weight hydrocarbon oligomers by laser desorption/ionization time-of-flight mass spectrometry using a solvent-free sample preparation method.

    PubMed

    Pruns, Julia K; Vietzke, Jens-Peter; Strassner, Manfred; Rapp, Claudius; Hintze, Ulrich; König, Wilfried A

    2002-01-01

    A new solvent-free sample preparation method using silver trifluoroacetate (AgTFA) was developed for the analysis of low molecular weight paraffins and microcrystalline waxes by laser desorption/ionization time-of-flight mass spectrometry (LDI-TOFMS). Experiments show that spectral quality can be enhanced by dispersing AgTFA directly in liquid paraffins without the use of additional solvents. This preparation mixture is applied directly to the MALDI probe. Solid waxes could be examined by melting prior to analysis. The method also provides sufficiently reproducible spectra that peak area ratios between mono- and bicyclic alkane peaks indicated variations in the cycloalkane content of paraffin samples. Dehydrogenation of hydrocarbons observed during the desorption/ionization process was studied by analysis of alkane standards.

  19. Comparative study of fourteen alkaloids from Uncaria rhynchophylla hooks and leaves using HPLC-diode array detection-atmospheric pressure chemical ionization/MS method.

    PubMed

    Qu, Jialin; Gong, Tianxing; Ma, Bin; Zhang, Lin; Kano, Yoshihiro; Yuan, Dan

    2012-01-01

    The purpose of the study is to compare alkaloid profile of Uncaria rhynchophylla hooks and leaves. Ten oxindole alkaloids and four glycosidic indole alkaloids were identified using HPLC-diode array detection (DAD) or LC-atmospheric pressure chemical ionization (APCI)-MS method, and a HPLC-UV method for simultaneous quantification of major alkaloids was validated. The hooks are characterized by high levels of four oxindole alkaloids rhynchophylline (R), isorhynchophylline (IR), corynoxeine (C) and isocorynoxeine (IC), while the leaves contained high level of two glycosidic indole alkaloids vincoside lactam (VL) and strictosidine (S). The presented methods have proven its usefulness in chemical characterization of U. rhynchophylla hooks and leaves.

  20. Matrix-assisted laser desorption/ionization mass spectrometry method for selectively producing either singly or multiply charged molecular ions.

    PubMed

    Trimpin, Sarah; Inutan, Ellen D; Herath, Thushani N; McEwen, Charles N

    2010-01-01

    Matrix-assisted laser desorption/ionization (MALDI) mass spectrometry (MS) is noted for its ability to produce primarily singly charged ions. This is an attribute when using direct ionization for complex mixtures such as protein digests or synthetic polymers. However, the ability to produce multiply charged ions, as with electrospray ionization (ESI), has advantages such as extending the mass range on mass spectrometers with limited mass-to-charge (m/z) range and enhancing fragmentation for structural characterization. We designed and fabricated a novel field free transmission geometry atmopsheric pressure (AP) MALDI source mounted to a high-mass resolution Orbitrap Exactive mass spectrometer. We report the ability to produce at will either singly charged ions or highly charged ions using a MALDI process by simply changing the matrix or the matrix preparation conditions. Mass spectra with multiply charged ions very similar to those obtained with ESI of proteins such as cytochrome c and ubiquitin are obtained with low femtomole amounts applied to the MALDI target plate and for peptides such as angiotensin I and II with application of attomole amounts. Single scan acquisitions produce sufficient ion current even from proteins.

  1. New design of high performance ionizing bar

    NASA Astrophysics Data System (ADS)

    Wang, Ronggang; Sun, Yurong

    2013-03-01

    This paper introduces a new design of DC-pulse ionizing bar to solve the problem of imbalance offset voltage for the AC ionizing bar, which is easily affected by the environment, as well as indicate the final tests. The new design mainly includes five parts: power supply circuit, main control unit, logic circuit, high frequency transformer unit, and feedback unit. The ionizing bar can automatically adjust the discharge voltage, pulse frequency and pulse width to balance the positive and negative ions. The final test results indicate that the DC ionizing bar owns good effect in electrostatic elimination.

  2. Determination of a three-step excitation and ionization scheme for resonance ionization and ultratrace analysis of Np-237

    NASA Astrophysics Data System (ADS)

    Raeder, S.; Stöbener, N.; Gottwald, T.; Passler, G.; Reich, T.; Trautmann, N.; Wendt, K.

    2011-03-01

    The long-lived radio isotope 237Np is generated within the nuclear fuel cycle and represents a major hazard in the final disposal of nuclear waste. Related geochemical research requires sensitive methods for the detection of ultratrace amounts of neptunium in environmental samples. Resonance ionization mass spectrometry (RIMS) has proven to be one of the most sensitive methods for the detection of plutonium. A precondition for the application of RIMS to ultratrace analysis of neptunium is the knowledge of an efficient and selective scheme for optical excitation and ionization. Therefore, a multitude of medium to high-lying atomic levels in neptunium was located by applying in-source resonance ionization spectroscopy. By using excitation via six previously known first excited, intermediate levels of odd parity, a set of twelve so far unknown high-lying levels of even parity were identified and studied further for their suitability in resonant excitation/ionization schemes. Autoionizing resonances for efficient ionization of neptunium atoms were subsequently accessed spectroscopically. Altogether five resonance ionization schemes were investigated and characterized concerning their saturation behavior and relative efficiency. Applying a calibrated sample, an overall efficiency of 0.3 % was determined.

  3. Iron ionization and recombination rates and ionization equilibrium

    NASA Technical Reports Server (NTRS)

    Arnaud, M.; Raymond, J.

    1992-01-01

    In the past few years important progress has been made on the knowledge of ionization and recombination rates of iron, an astrophysically abundant heavy element and a major impurity in laboratory fusion devices. We make a critical review of the existing data on ionization and dielectronic recombination and present new computations of radiative recombination rate coefficients of Fe(+14) through Fe(+25) using the photoionization cross sections of Clark et al. (1986). We provide analytical fits to the recommended data (direct ionization and excitation-autoionization cross sections; radiative and dielectronic recombination rate coefficients). Finally we determine the iron ionic fractions at ionization equilibrium and compare them with previous computations as well as with observational data.

  4. Assessment of Methods for Estimating Risk to Birds from Ingestion of Contaminated Grit Particles (Final Report)

    EPA Science Inventory

    The U.S. EPA Ecological Risk Assessment Support Center (ERASC) announced the release of the final report entitled, Assessment of Methods for Estimating Risk to Birds from Ingestion of Contaminated Grit Particles. This report evaluates approaches for estimating the probabi...

  5. Analysis of the Methods Used for Identifying Potential School Dropouts. Final Report.

    ERIC Educational Resources Information Center

    Neyman, C. A., Jr.

    This final report analyzes the research methods used in the identification of potential dropouts. This program was administered under Title I (ESEA, 1965) in the District of Columbia (see also ED 049 319). Three forms were used in the evaluation of Title I students identified as potential dropouts during the school year 1967-68: (1) Student…

  6. Writing Cover Letters That Address Instructor Feedback Improves Final Papers in a Research Methods Course

    ERIC Educational Resources Information Center

    Daniel, Frances; Gaze, Catherine M.; Braasch, Jason L. G.

    2015-01-01

    We examined how writing cover letters to the instructor influenced final papers in research methods courses. After receiving instructor feedback on drafts of each section of an American Psychological Association style research paper throughout the semester, students in two classes wrote cover letters to the instructor explaining how the instructor…

  7. Polarization phenomena in multiphoton ionization of atoms.

    NASA Technical Reports Server (NTRS)

    Jacobs, V. L.

    1973-01-01

    The theory of multiphoton ionization for an atomic system of arbitrary complexity is developed using a density matrix formalism. An expression is obtained which determines the differential N-photon ionization cross section as a function of the polarization states of the target atom and the incident radiation. The parameters which characterize the photo-electron angular distribution are related to the general reduced matrix elements for the N-photon transition. Two-photon ionization of unpolarized atoms is treated as an illustration of the use of the theory. The dependence of the multiphoton ionization cross section on the polarization state of the incident radiation, which has been observed in two- and three-photon ionization of Cs, is accounted for by the theory. Finally, the photoelectron spin polarization produced by the multiphoton ionization of unpolarized atoms, like the analogous polarization resulting from single-photon ionization, is found to depend on the circular polarization of the incident radiation.

  8. Polarization phenomena in multiphoton ionization of atoms

    NASA Technical Reports Server (NTRS)

    Jacobs, V. L.

    1973-01-01

    The theory of multiphoton ionization for an atomic system of arbitrary complexity is developed using a density matrix formalism. An expression is obtained which determines the differential N-photon ionization cross section as a function of the polarization states of the target atom and the incident radiation. The parameters which characterize the photoelectron angular distribution are related to the general reduced matrix elements for the N-photon transition. Two-photon ionization of unpolarized atoms is treated as an illustration of the use of the theory. The dependence of the multiphoton ionization cross section on the polarization state of the incident radiation, which has been observed in two- and three-photon ionization of Cs, is accounted for by the theory. Finally, the photoelectron spin polarization produced by the multiphoton ionization of unpolarized atoms, like the analogous polarization resulting from single-photon ionization, is found to depend on the circular polarization of the incident radiation.

  9. Investigation of electric field distribution on FAC-IR-300 ionization chamber

    NASA Astrophysics Data System (ADS)

    Mohammadi, S. M.; Tavakoli-Anbaran, H.; Zeinali, H. Z.

    2016-07-01

    One of the important parameters for establishing charge particle equilibrium (CPE) conditions of free-air ionization chamber is an electric field distribution. In this paper, electric field distribution inside the ionization chamber was investigated by finite element method. For this purpose, the effects of adding guard plate and guard strips on the electric field distribution in the ionization chamber were studied. it is necessary to apply a lead box around the ionization chamber body to avoid of scattered radiation effects on the ionization chamber operation, but the lead box changes the electric field distribution. In the following, the effect of lead box on the electric field distribution was studied. Finally, electric field distribution factor (kfield) was calculated by the simulation. The results of the simulation showed that presence of the guard plate and guard strips, and applying a suitable potential to lead box, a convergence of kfield to 1 was achieved.

  10. The NASA digital VGH program. Exploration of methods and final results. Volume 1: Development of methods

    NASA Technical Reports Server (NTRS)

    Crabill, Norman L.

    1989-01-01

    Two hundred hours of Lockheed L 1011 digital flight data recorder data taken in 1973 were used to develop methods and procedures for obtaining statistical data useful for updating airliner airworthiness design criteria. Five thousand hours of additional data taken in 1978 to 1982 are reported in volumes 2, 3, 4 and 5.

  11. Quantification of gamma-H2AX foci in human lymphocytes: a method for biological dosimetry after ionizing radiation exposure.

    PubMed

    Roch-Lefèvre, Sandrine; Mandina, Tania; Voisin, Pascale; Gaëtan, Gruel; Mesa, Jorge Ernesto Gonzàlez; Valente, Marco; Bonnesoeur, Pierre; García, Omar; Voisin, Philippe; Roy, Laurence

    2010-08-01

    Recent studies have suggested that visualization of gamma-H2AX nuclear foci can be used to estimate exposure to very low doses of ionizing radiation. Although this approach is widely used for various purposes, its suitability for individual human biodosimetry has not yet been assessed. We therefore conducted such an assessment with the help of available software for observing and automatically scoring gamma-H2AX foci. The presence of gamma-H2AX foci was evaluated in human peripheral blood lymphocytes exposed ex vivo to gamma rays in a dose range of 0.02 to 2 Gy. We analyzed the response of gamma-H2AX to ionizing radiation in relation to dose, time after exposure, and individual variability. We constructed dose-effect calibration curves at 0.5, 8 and 16 h after exposure and evaluated the threshold of detection of the technique. The results show the promise of automatic gamma-H2AX scoring for a reliable assessment of radiation doses in a dose range of 0.6 Gy to 2 Gy up to 16 h after exposure. This gamma-H2AX-based assay may be useful for biodosimetry, especially for triage to distinguish promptly among individuals the ones who have received negligible doses from those with significantly exposures who are in need of immediate medical attention. However, additional in vivo experiments are needed for validation.

  12. Application of the partial-Fourier-transform approach for tunnel ionization of molecules

    NASA Astrophysics Data System (ADS)

    Liu, Mingming; Liu, Yunquan

    2016-04-01

    Combining the partial-Fourier-transform approach with Wenzel-Kramers-Brillouin approximation, we theoretically study the strong-field tunneling ionization of diatomic and polyatomic molecules. First we obtain the analytical expression of momentum distribution at the tunnel exit of diatomic molecules, and then we calculate the alignment-dependent ionization rate at different laser intensities and internuclear distances. We show that the internuclear distance has a significant effect on the alignment dependence of the ionization rate. Using this approach, we can also separate the contributions of each atomic center and show the interference effect between them. Finally, we extend this method to a polyatomic molecule, benzene, as an example.

  13. Final state interactions and the transverse structure of the pion using non-perturbative eikonal methods

    SciTech Connect

    Gamberg, Leonard; Schlegel, Marc

    2010-01-18

    In the factorized picture of semi-inclusive hadronic processes the naive time reversal-odd parton distributions exist by virtue of the gauge link which renders it color gauge invariant. The link characterizes the dynamical effect of initial/final-state interactions of the active parton due soft gluon exchanges with the target remnant. Though these interactions are non-perturbative, studies of final-state interaction have been approximated by perturbative one-gluon approximation in Abelian models. We include higher-order contributions by applying non-perturbative eikonal methods incorporating color degrees of freedom in a calculation of the Boer-Mulders function of the pion. Lastly, using this framework we explore under what conditions the Boer Mulders function can be described in terms of factorization of final state interactions and a spatial distribution in impact parameter space.

  14. Final state interactions and the transverse structure of the pion using non-perturbative eikonal methods

    DOE PAGES

    Gamberg, Leonard; Schlegel, Marc

    2010-01-18

    In the factorized picture of semi-inclusive hadronic processes the naive time reversal-odd parton distributions exist by virtue of the gauge link which renders it color gauge invariant. The link characterizes the dynamical effect of initial/final-state interactions of the active parton due soft gluon exchanges with the target remnant. Though these interactions are non-perturbative, studies of final-state interaction have been approximated by perturbative one-gluon approximation in Abelian models. We include higher-order contributions by applying non-perturbative eikonal methods incorporating color degrees of freedom in a calculation of the Boer-Mulders function of the pion. Lastly, using this framework we explore under what conditionsmore » the Boer Mulders function can be described in terms of factorization of final state interactions and a spatial distribution in impact parameter space.« less

  15. Resonance ionization for analytical spectroscopy

    DOEpatents

    Hurst, George S.; Payne, Marvin G.; Wagner, Edward B.

    1976-01-01

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

  16. Comparison of electrospray ionization and atmospheric pressure photoionization liquid chromatography mass spectrometry methods for analysis of ergot alkaloids from endophyte-infected sleepygrass (Achnatherum robustum).

    PubMed

    Jarmusch, Alan K; Musso, Ashleigh M; Shymanovich, Tatsiana; Jarmusch, Scott A; Weavil, Miranda J; Lovin, Mary E; Ehrmann, Brandie M; Saari, Susanna; Nichols, David E; Faeth, Stanley H; Cech, Nadja B

    2016-01-05

    Ergot alkaloids are mycotoxins with an array of biological effects. With this study, we investigated for the first time the application of atmospheric pressure photoionization (APPI) as an ionization method for LC-MS analysis of ergot alkaloids, and compared its performance to that of the more established technique of electrospray ionization (ESI). Samples of the grass Achnatherum robustum infected with the ergot producing Epichloë fungus were extracted using cold methanol and subjected to reserved-phase HPLC-ESI-MS and HPLC-APPI-MS analysis. The ergot alkaloids ergonovine and lysergic acid amide were detected in these samples, and quantified via external calibration. Validation parameters were recorded in accordance with ICH guidelines. A triple quadrupole MS operated in multiple reaction monitoring yielded the lowest detection limits. The performance of APPI and ESI methods was comparable. Both methods were subject to very little matrix interference, with percent recoveries ranging from 82% to 100%. As determined with HPLC-APPI-MS quantification, lysergic acid amide and ergonovine were extracted from an A. robustum sample infected with the Epichloë fungus at concentrations of 1.143±0.051 ppm and 0.2822±0.0071 ppm, respectively. There was no statistically significant difference between these concentrations and those determined using ESI for the same samples.

  17. Development and validation of sensitive method for determination of serum cotinine in smokers and nonsmokers by liquid chromatography/atmospheric pressure ionization tandem mass spectrometry.

    PubMed

    Bernert, J T; Turner, W E; Pirkle, J L; Sosnoff, C S; Akins, J R; Waldrep, M K; Ann, Q; Covey, T R; Whitfield, W E; Gunter, E W; Miller, B B; Patterson, D G; Needham, L L; Hannon, W H; Sampson, E J

    1997-12-01

    We describe a sensitive and specific method for measuring cotinine in serum by HPLC coupled to an atmospheric pressure chemical ionization tandem mass spectrometer. This method can analyze 100 samples/day on a routine basis, and its limit of detection of 50 ng/L makes it applicable to the analysis of samples from nonsmokers potentially exposed to environmental tobacco smoke. Analytical accuracy has been demonstrated from the analysis of NIST cotinine standards and from comparative analyses by both the current method and gas chromatography/high-resolution mass spectrometry. Precision has been examined through the repetitive analysis of a series of bench and blind QC materials. This method has been applied to the analysis of cotinine in serum samples collected as part of the Third National Health and Nutrition Examination Survey (NHANES III).

  18. High performance liquid chromatography-electrospray ionization mass spectrometry (HPLC-MS/ESI) method for simultaneous determination of venlafaxine and its three metabolites in human plasma.

    PubMed

    Liu, Wen; Cai, Hua-Lin; Li, Huan-de

    2007-05-01

    A high-performance liquid chromatography-electrospray ionization mass spectrometry (HPLC-MS/ESI) method for simultaneous determination of venlafaxine (VEN) and its three metabolites O-desmethylvenlafaxine (ODV), N-desmethylvenlafaxine (NDV) and N,O-didesmethylvenlafaxine (DDV) in human plasma has been developed and validated. Estazolam was used as the internal standard. The compounds and internal standard were extracted from plasma by a liquid-liquid extraction. The HPLC separation of the analytes was performed on a Thermo BDS HYPERSIL C18 (250 mm x 4.6 mm, 5 microm, USA) column, using a gradient elution program with solvents constituted of water (ammonium acetate: 30 mmol/l, formic acid 2.6 mmol/l and trifluoroacetic acid 0.13 mmol/l) and acetonitrile (60:40, V/V) at a flow-rate of 1.0 ml/min. All of the analytes were eluted within 6 min. The compounds were ionized in the electrospray ionization (ESI) ion source of the mass spectrometer and were detected in the selected ion recording (SIR) mode. Calibration curves in spiked whole blood were linear from 4.0-700 ng/ml, 2.0-900 ng/ml, 3.0-800 ng/ml and 2.0-700 ng/ml for VEN, ODV, NDV and DDV, respectively, all of them with coefficients of determination above 0.9991. The average extraction recoveries for all the four analytes were above 77%. The methodology recoveries were higher than 91%. The limits of detection were 0.4, 0.2, 0.3, and 0.2 ng/ml for VEN, ODV, NDV and DDV, respectively. The intra- and inter-day variation coefficients were less than 11%. The method is accurate, sensitive and reliable for the pharmacokinetic study of venlafaxine as well as therapeutic drug monitoring (TDM).

  19. “Black Bone” MRI: a potential non-ionizing method for three-dimensional cephalometric analysis—a preliminary feasibility study

    PubMed Central

    Watt-Smith, S R; Golding, S J

    2013-01-01

    Objectives: CT offers a three-dimensional solution to the inaccuracies associated with lateral cephalogram-based cephalometric analysis. However, it is associated with significant concerns regarding ionizing radiation exposure. MRI offers a non-ionizing alternative, but this has been less well investigated. We present a novel gradient echo MRI sequence (“Black Bone”) and highlight the potential of this sequence in cephalometric analysis. Methods: After regional ethics approval, “Black Bone” imaging was obtained in eight patients in whom lateral cephalograms were available. “Black Bone”, T1 and T2 weighted spin echo imaging were obtained in the mid-sagittal plane, and measurements were compared with those obtained on the lateral cephalogram using both the Advantage Windows Workstation (GE Medical Systems, Buckinghamshire, UK) and the Dolphin® cephalometric software (v. 11.5.04.23, Premium; Dolphin Imaging, Chatsworth, CA) by one assessor. Further assessment was made by scoring the ease of landmark identification on a ten-point scale. Results: “Black Bone” imaging surpassed T1 and T2 weighted imaging in terms of cephalometric landmark identification. A number of mid-sagittal cephalometric landmarks could not be clearly identified on T2 weighted imaging, making analysis impossible. Measurements on “Black Bone” demonstrated the smallest discrepancy when compared with those obtained on the lateral cephalogram. The discrepancy seen between measurements completed on mid-sagittal MRI and the lateral cephalogram was compounded by inherent inaccuracies of the lateral cephalogram. The overall mean discrepancy between distance measurements on “Black Bone” imaging and those on the lateral cephalogram was 1–2 mm. Conclusions: Overall, “Black Bone” MRI offered an improved method of cephalometric landmark identification over routine MRI sequences, and provides a potential non-ionizing alternative to CT for three-dimensional cephalometrics. PMID

  20. Positron impact ionization of atomic hydrogen

    SciTech Connect

    Acacia, P.; Campeanu, R.I.; Horbatsch, M.

    1993-05-01

    We will present integrated cross sections for ionization of atomic hydrogen by positrons. These have been calculated in a distorted-wave approximation using energy-dependent effective charges in the final channel as well as static and polarization potentials in the initial channel. We present two models for calculating the energy-dependent effective charges both of which produce results in good agreement with the recent experimental measurements of Spicher et al. This is in contrast to previous distorted-wave calculations which used fixed effective charges as well as classical trajectory calculations. Both of these latter methods produced results which were substantially below ours and the experimental data.

  1. Communication: A vibrational study of titanium dioxide cation using the vacuum ultraviolet laser pulsed field ionization-photoelectron method.

    PubMed

    Chang, Yih-Chung; Huang, Huang; Luo, Zhihong; Ng, C Y

    2013-01-28

    We have successfully measured the vacuum ultraviolet (VUV) laser photoionization efficiency and pulsed field ionization-photoelectron (PFI-PE) spectra of cold titanium dioxide (TiO(2)) prepared by a supersonically cooled laser ablation source. The VUV-PFI-PE spectrum thus obtained exhibits long progressions of the v(2)(+)(a(1)) bending and the combination of v(1)(+)(a(1)) stretching and v(2)(+)(a(1)) bending vibrational modes of the TiO(2)(+)(X(2)B(2)) ion. The pattern of Franck-Condon factors observed indicates that the O-Ti-O bond angle of the TiO(2)(+)(X(2)B(2)) ion is significantly different from that of the TiO(2)(X(1)A(1)) neutral, whereas the change of the Ti-O bond distance is very minor upon the photoionization transition. The analysis of the PFI-PE bands has made possible the determination of the adiabatic ionization energy for TiO(2), IE(TiO(2)) = 77215.9 ± 1.2 cm(-1) (9.57355 ± 0.00015 eV), the harmonic vibrational frequencies, ω(1)(+) = 829.1 ± 2.0 cm(-1) and ω(2)(+) = 248.7 ± 0.6 cm(-1), and the anharmonic coefficients, χ(11)(+) = 5.57 ± 0.65 cm(-1), χ(22)(+) = 0.08 ± 0.06 cm(-1), and χ(12)(+) = -4.51 ± 0.30 cm(-1) for the TiO(2)(+)(X(2)B(2)) ground state.

  2. Extraction Chromatographic Methods in the Sample Preparation Sequence for Thermal Ionization Mass Spectrometric Analysis of Plutonium Isotopes

    SciTech Connect

    Grate, Jay W.; O'Hara, Matthew J.; Farawila, Anne F.; Douglas, Matthew; Haney, Morgan M.; Peterson, Steve L.; Maiti, Tapas C.; Aardahl, Christopher L.

    2011-10-17

    A sample preparation sequence for actinide isotopic analysis by TIMS is described that includes column-based extraction chromatography as the first separation step, followed by anion exchange column separations. The sequence is designed to include a wet ashing step after the extraction chromatography to prevent any leached extractant or oxalic acid eluent reagents from interfering with subsequent separations, source preparation, or TIMS ionization. TEVA-resin and DGA-resin materials, containing extractants that consist only of C, N, O, and H atoms, were investigated for isolation of plutonium. Radiotracer level studies confirmed expected high yields from column-based separation procedures. Femtogram-level studies were carried out with TIMS detection, using multiple isotopic spikes through the separation sequence. Pu recoveries were 87% and 86% for TEVA- and DGA-resins separations respectively. The Pu recoveries from 400 {mu}L anion-exchange column separations were 89% and 93% for trial sequences incorporating TEVA and DGA-resin. Thus, a prior extraction chromatography step in the sequence did not interfere with the subsequent anion exchange separation when a simple wet ash step was carried out in between these column separations. The average measurement efficiency, for Pu, encompassing the chemical separation recoveries and the TIMS ionization efficiency, was 2.73 {+-} 0.77% (2-sigma) for the DGA-resin trials and 2.67 {+-} 0.54% for the TEVA-resin trials, compared to 3.41% and 2.37% (average 2.89%) for two spikes in the experimental set. These compare with an average measurement efficiency of 2.78 {+-} 1.70%, n = 33 from process benchmark analyses using Pu spikes processed through a sequence of oxalate precipitation, wet ash, iron hydroxide precipitation, and anion exchange column separations. We conclude that extraction chromatography can be a viable separation procedure as part of a multistep sequence for TIMS sample preparation.

  3. Aquatic Plant Control Research Program. Field methods to measure aquatic plant treatment method efficacy. Final report

    SciTech Connect

    Killgore, K.J.; Payne, B.S.

    1984-04-01

    The Aquatic Plant Control Research Program (APCRP) of the U.S. Army Engineer Waterways Experiment Station (WES) is developing field techniques to measure treatment efficacy and to determine site characteristics that influence the treatment efficacy. Treatment efficacy is considered a quantitative determination of the extent and duration of changes in problem aquatic plant populations attributable to the use of a treatment method (i.e., chemical, mechanical, biological, environmental). Depending on the plant species, efficacy can be determined or indicated by changes in biomass, areal distribution, or height of an aquatic plant in response to treatment. Aquatic plant biomass is sampled with a WES aquatic biomass sampler; areal distribution of aquatic plants is determined by aerial photography or with an electronic positioning system; and submersed aquatic plant height is measured with a fathometer (depth recorder) used with an electronic positioning and repositioning system (AGNAV). The APCRP has also developed field techniques to determine site characteristics that influence efficacy using commercially available instrumentation. This instrumentation can be used to measure treatment efficacy and to determine site characteristics simultaneously.

  4. Nonsequential double ionization with mid-infrared laser fields

    PubMed Central

    Li, Ying-Bin; Wang, Xu; Yu, Ben-Hai; Tang, Qing-Bin; Wang, Guang-Hou; Wan, Jian-Guo

    2016-01-01

    Using a full-dimensional Monte Carlo classical ensemble method, we present a theoretical study of atomic nonsequential double ionization (NSDI) with mid-infrared laser fields, and compare with results from near-infrared laser fields. Unlike single-electron strong-field processes, double ionization shows complex and unexpected interplays between the returning electron and its parent ion core. As a result of these interplays, NSDI for mid-IR fields is dominated by second-returning electron trajectories, instead of first-returning trajectories for near-IR fields. Some complex NSDI channels commonly happen with near-IR fields, such as the recollision-excitation-with-subsequent-ionization (RESI) channel, are virtually shut down by mid-IR fields. Besides, the final energies of the two electrons can be extremely unequal, leading to novel e-e momentum correlation spectra that can be measured experimentally. PMID:27857182

  5. Nonsequential double ionization with mid-infrared laser fields

    NASA Astrophysics Data System (ADS)

    Li, Ying-Bin; Wang, Xu; Yu, Ben-Hai; Tang, Qing-Bin; Wang, Guang-Hou; Wan, Jian-Guo

    2016-11-01

    Using a full-dimensional Monte Carlo classical ensemble method, we present a theoretical study of atomic nonsequential double ionization (NSDI) with mid-infrared laser fields, and compare with results from near-infrared laser fields. Unlike single-electron strong-field processes, double ionization shows complex and unexpected interplays between the returning electron and its parent ion core. As a result of these interplays, NSDI for mid-IR fields is dominated by second-returning electron trajectories, instead of first-returning trajectories for near-IR fields. Some complex NSDI channels commonly happen with near-IR fields, such as the recollision-excitation-with-subsequent-ionization (RESI) channel, are virtually shut down by mid-IR fields. Besides, the final energies of the two electrons can be extremely unequal, leading to novel e-e momentum correlation spectra that can be measured experimentally.

  6. Development and validation of an ultra high performance liquid chromatography electrospray ionization tandem mass spectrometry method for the simultaneous determination of selected flavonoids in Ginkgo biloba.

    PubMed

    Pandey, Renu; Chandra, Preeti; Arya, Kamal Ram; Kumar, Brijesh

    2014-12-01

    A rapid and sensitive ultra high performance liquid chromatography electrospray ionization tandem mass spectrometry method was developed and validated for the simultaneous determination of 13 flavonoids in leaf, stem, and fruit extracts of male and female trees of Ginkgo biloba to investigate gender- and age-related variations of flavonoids content. Chromatographic separation was accomplished on an Acquity UPLC BEH C18 column (50 mm × 2.1 mm id, 1.7 μm) in 5 min. Quantitation was performed using negative electrospray ionization mass spectrometry in multiple reaction monitoring mode. The calibration curves of all analytes showed a good linear relationship (r(2) ≥ 0.9977) over the concentration range of 1-1000 ng/mL. The precision evaluated by an intra- and interday study showed RSD ≤ 1.98% and good accuracy with overall recovery in the range from 97.90 to 101.09% (RSD ≤ 1.67%) for all analytes. The method sensitivity expressed as the limit of quantitation was typically 0.25-3.57 ng/mL. The results showed that the total content of 13 flavonoids was higher in the leaf extract of an old male Ginkgo tree compared to young female Ginkgo trees.

  7. An extraction method of positive blood cultures for direct identification of Candida species by Vitek MS matrix-assisted laser desorption ionization time of flight mass spectrometry.

    PubMed

    Lavergne, Rose-Anne; Chauvin, Pamela; Valentin, Alexis; Fillaux, Judith; Roques-Malecaze, Christine; Arnaud, Sylvie; Menard, Sandie; Magnaval, Jean-François; Berry, Antoine; Cassaing, Sophie; Iriart, Xavier

    2013-08-01

    Candida spp. are an important cause of nosocomial bloodstream infections. Currently, complete identification of yeasts with conventional methods takes several days. We report here the first evaluation of an extraction method associated with the Vitek MS matrix-assisted laser desorption ionization time of flight mass spectrometry for direct identification of Candida species from positive blood cultures. We evaluated this protocol with blood cultures that were inoculated with reference and routine isolates (eight reference strains, 30 patients isolates and six mixed cultures containing two strains of different Candida species), or from patients with candidemia (28 isolates). This method performed extremely well (97% correct identification) with blood cultures of single Candida spp. and significantly reduced the time of diagnosis. Nevertheless, subculture remains indispensable to test fungal resistance and to detect mixed infections.

  8. Ion chromatography electrospray ionization mass spectrometry method development and investigation of lithium hexafluorophosphate-based organic electrolytes and their thermal decomposition products.

    PubMed

    Kraft, Vadim; Grützke, Martin; Weber, Waldemar; Winter, Martin; Nowak, Sascha

    2014-08-08

    A method based on the coupling of ion chromatography (IC) and electrospray ionization mass spectrometry (ESI-MS) for the separation and determination of thermal decomposition products of LiPF6-based organic electrolytes is presented. The utilized electrolytes, LP30 and LP50, are commercially available and consist of 1mol/l LiPF6 dissolved in ethylene carbonate/dimethyl carbonate and ethylene carbonate/ethyl methyl carbonate, respectively. For the separation method development three ion chromatographic columns with different capacity and stationary phase were used and compared. Besides the known hydrolysis products of lithium hexafluorophosphate, several new organophosphates were separated and identified with the developed IC-ESI-MS method during aging investigations of the electrolytes. The chemical structures were elucidated with IC-ESI-MS/MS.

  9. Rapid and sensitive method for determining free amino acids in honey by gas chromatography with flame ionization or mass spectrometric detection.

    PubMed

    Nozal, Ma J; Bernal, J L; Toribio, M L; Diego, J C; Ruiz, A

    2004-08-20

    This paper describes a rapid, sensitive and specific method for determination of free amino acids in honey involving a new reaction of derivatization and gas chromatography (GC) with flame ionization (FID) and mass spectrometric (MS) detection. The method allows the determination of 22 free amino acids in honey samples in a short time: 8 and 5 min for GC-FID and GC-MS, respectively. Quantitation was performed using Norvaline as internal standard, with detection limits ranging between 0.112 and 1.795 mg/L by GC-FID and between 0.001 and 0.291 mg/L by GC-MS in the selected-ion monitoring mode. The method was validated and applied to a set of 74 honey samples belonging to four different botanical origins: eucaliptus, rosemary, orange and heather. The statistical treatment of data shows a correct classification of different origins over 90%.

  10. High pressure xenon ionization detector

    DOEpatents

    Markey, J.K.

    1989-11-14

    A method is provided for detecting ionization comprising allowing particles that cause ionization to contact high pressure xenon maintained at or near its critical point and measuring the amount of ionization. An apparatus is provided for detecting ionization, the apparatus comprising a vessel containing a ionizable medium, the vessel having an inlet to allow high pressure ionizable medium to enter the vessel, a means to permit particles that cause ionization of the medium to enter the vessel, an anode, a cathode, a grid and a plurality of annular field shaping rings, the field shaping rings being electrically isolated from one another, the anode, cathode, grid and field shaping rings being electrically isolated from one another in order to form an electric field between the cathode and the anode, the electric field originating at the anode and terminating at the cathode, the grid being disposed between the cathode and the anode, the field shaping rings being disposed between the cathode and the grid, the improvement comprising the medium being xenon and the vessel being maintained at a pressure of 50 to 70 atmospheres and a temperature of 0 to 30 C. 2 figs.

  11. High pressure xenon ionization detector

    DOEpatents

    Markey, John K.

    1989-01-01

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

  12. Can Nonpolar Polyisobutylenes be Measured by Electrospray Ionization Mass Spectrometry? Anion-Attachment Proved to be an Appropriate Method

    NASA Astrophysics Data System (ADS)

    Nagy, Lajos; Nagy, Tibor; Deák, György; Kuki, Ákos; Purgel, Mihály; Narmandakh, Mijid; Iván, Béla; Zsuga, Miklós; Kéki, Sándor

    2016-03-01

    Polyisobutylenes (PIBs) with different end-groups including chlorine, exo-olefin, hydroxyl, and methyl prepared from aliphatic and aromatic initiators were studied by electrospray ionization mass spectrometry (ESI-MS). Independently of the end-groups, presence or absence of aromatic initiator moiety, these PIB derivatives were capable of forming adduct ions with NO3 - and Cl- ions, thus allowing the direct characterization of these compounds in the negative ion mode of ESI-MS. To obtain [PIB + NO3]- and [PIB + Cl]- adduct ions with appreciable intensities, addition of polar solvents such as acetone, 2-propanol, or ethanol to the dichloromethane solution of PIBs was necessary. Furthermore, increasing both the polarity (by increasing the acetone content) and the ion-source temperature give rise to enhanced intensities for both [PIB + NO3]- and [PIB + Cl]- ions. Energy-dependent collision induced dissociation studies (CID) revealed that increasing the collision voltages resulted in the shift of the apparent molecular masses to higher ones. CID studies also showed that dissociation of the [PIB + Cl]- ions requires higher collision energy than that of [PIB + NO3]-. In addition, Density Functional Theory calculations were performed to gain insights into the nature of the interactions between the highly non-polar PIB chains and anions NO3 - and Cl- as well as to determine the zero-point corrected electronic energies for the formation of [PIB + NO3]- and [PIB + Cl]- adduct ions.

  13. Precision treatment of single and double multiphoton ionization of He atoms by strong laser fields: Time-dependent generalized pseudospectral method in internal coordinates

    NASA Astrophysics Data System (ADS)

    Telnov, Dmitry A.; Heslar, John; Chu, Shih-I.

    2012-06-01

    We have developed a new computational method for accurate and efficient numerical solution of the time-dependent Schr"odinger equation for two-electron atoms. Our approach is full-dimensional and makes use of the internal coordinates of the electrons in the plane defined by the electrons and the nucleus (r1, r2, and θ12) as well as Euler angles which determine the orientation of the plane in space. The internal coordinates can be optimally discretized by means of the generalized pseudospectral method while the Euler angles appear through the basis set functions with the definite total angular momentum and its projections. The results of the single and double ionization of the helium atom by strong 800 nm laser fields will be presented. The accurate time-dependent electron density obtained can be used for testing and improvement of various approximate exchange-correlation functionals of the time-dependent density functional theory.

  14. Method and plant for conversion of waste material to stable final products

    SciTech Connect

    Santen, S.; Thornblom, J.

    1985-04-02

    The invention relates to a method and plant for converting waste material containing and/or comprising thermally disintegratable chemcial substances to stable final products such as CO/sub 2/, H/sub 2/O and HCI, the waste material being subjected to a plasma gas of high temperature generated in a plasma generator in order to effect disintegration. The waste material in feedable form is caused to flow through a reaction zone, heated by a plasma gas to at least 2000/sup 0/ C. The reaction zone comprises a cavity burned in a gas-permeable filling in piece form arranged in a reaction chamber, by means of the plasma jet from the plasma generator directed towards and projecting into said filling. An appropriate oxygen potential is maintained in at least the reaction zone such that the disintegration products are continuously converted to stable final products.

  15. A Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry Method for the Identification of Anthraquinones: the Case of Historical Lakes

    NASA Astrophysics Data System (ADS)

    Sabatini, Francesca; Lluveras-Tenorio, Anna; Degano, Ilaria; Kuckova, Stepanka; Krizova, Iva; Colombini, Maria Perla

    2016-11-01

    This study deals with the identification of anthraquinoid molecular markers in standard dyes, reference lakes, and paint model systems using a micro-invasive and nondestructive technique such as matrix-assisted laser desorption/ionization time-of-flight-mass spectrometry (MALDI-ToF-MS). Red anthraquinoid lakes, such as madder lake, carmine lake, and Indian lac, have been the most widely used for painting purposes since ancient times. From an analytical point of view, identifying lakes in paint samples is challenging and developing methods that maximize the information achievable minimizing the amount of sample needed is of paramount importance. The employed method was tested on less than 0.5 mg of reference samples and required a minimal sample preparation, entailing a hydrofluoric acid extraction. The method is fast and versatile because of the possibility to re-analyze the same sample (once it has been spotted on the steel plate), testing both positive and negative modes in a few minutes. The MALDI mass spectra collected in the two analysis modes were studied and compared with LDI and simulated mass spectra in order to highlight the peculiar behavior of the anthraquinones in the MALDI process. Both ionization modes were assessed for each species. The effect of the different paint binders on dye identification was also evaluated through the analyses of paint model systems. In the end, the method was successful in detecting madder lake in archeological samples from Greek wall paintings and on an Italian funerary clay vessel, demonstrating its capabilities to identify dyes in small amount of highly degraded samples.

  16. Comparison and validation of 2 analytical methods for the determination of free fatty acids in dairy products by gas chromatography with flame ionization detection.

    PubMed

    Mannion, David T; Furey, Ambrose; Kilcawley, Kieran N

    2016-07-01

    Accurate quantification of free fatty acids (FFA) in dairy products is important for quality control, nutritional, antimicrobial, authenticity, legislative, and flavor purposes. In this study, the performance of 2 widely used gas chromatographic flame ionization detection methods for determination of FFA in dairy products differing in lipid content and degree of lipolysis were evaluated. We used a direct on-column approach where the isolated FFA extract was injected directly and a derivatization approach where the FFA were esterified in the injector to methyl esters using tetramethylammonium hydroxide as a catalyst. A comprehensive validation was undertaken to establish method linearity, limits of detection, limits of quantification, accuracy, and precision. Linear calibrations of 3 to 700mg/L (R(2)>0.999) and 20 to 700mg/L (R(2)>0.997), and limits of detection and limits of quantification of 0.7 and 3mg/L and 5 and 20mg/L were obtained for the direct injection on-column and the derivatization method, respectively. Intraday precision of 1.5 to 7.2% was obtained for both methods. The direct injection on-column method had the lower levels of limits of detection and quantification, because FFA are directly injected onto the GC as opposed to the split injection used in the derivatization method. However, the direct injection on-column method experienced accumulative column phase deterioration and irreversible FFA absorption because of the acidic nature of the injection extract, which adversely affected method robustness and the quantification of some longer chain FFA. The derivatization method experienced issues with quantification of butyric acid at low concentrations because of coelution with the injection solvent peak, loss of polyunsaturated FFA due to degradation by tetramethylammonium hydroxide, and the periodic emergence of by-product peaks of the tetramethylammonium hydroxide reaction that interfered with the quantification of some short-chain FFA. The

  17. Photoneutron production of a Siemens Primus linear accelerator studied by Monte Carlo methods and a paired magnesium and boron coated magnesium ionization chamber system.

    PubMed

    Becker, J; Brunckhorst, E; Schmidt, R

    2007-11-07

    When radiotherapy with photon energies greater than 10 MV is performed neutrons contaminate the photon beam. In this paper the neutron contamination of the 15 MV photon mode of the Siemens Primus accelerator was studied. The Monte Carlo code MCNPX was used for the description of the treatment head and treatment room. The Monte Carlo results were verified by studying the photon depth dose curve and beam profiles in a water phantom. After these verifications the locations of neutron production were studied and the neutron source spectrum and strength were calculated. The neutron response of the paired Mg/Ar and MgB/Ar ionization chamber system was calculated and experimentally verified for two experimental set-ups. The paired chamber system allowed us to measure neutrons inside the field borders and allowed rapid and point wise measurement in contrast to other methods of neutron detection.

  18. Influence of renormalization shielding on the electron-impact ionization process in dense partially ionized plasmas

    SciTech Connect

    Song, Mi-Young; Yoon, Jung-Sik; Jung, Young-Dae

    2015-04-15

    The renormalization shielding effects on the electron-impact ionization of hydrogen atom are investigated in dense partially ionized plasmas. The effective projectile-target interaction Hamiltonian and the semiclassical trajectory method are employed to obtain the transition amplitude as well as the ionization probability as functions of the impact parameter, the collision energy, and the renormalization parameter. It is found that the renormalization shielding effect suppresses the transition amplitude for the electron-impact ionization process in dense partially ionized plasmas. It is also found that the renormalization effect suppresses the differential ionization cross section in the peak impact parameter region. In addition, it is found that the influence of renormalization shielding on the ionization cross section decreases with an increase of the relative collision energy. The variations of the renormalization shielding effects on the electron-impact ionization cross section are also discussed.

  19. Simultaneous determination of cyclophosphamide, ifosfamide, doxorubicin, epirubicin and daunorubicin in human urine using high-performance liquid chromatography/electrospray ionization tandem mass spectrometry: bioanalytical method validation.

    PubMed

    Sottani, Cristina; Rinaldi, Paola; Leoni, Emanuela; Poggi, Guido; Teragni, Cristina; Delmonte, Angelo; Minoia, Claudio

    2008-09-01

    A reversed-phase high-performance liquid chromatography (rp-HPLC) system interfaced with an electrospray ionization (ESI) source coupled to tandem mass spectrometry (MS/MS) was developed and validated for the determination of cyclophosphamide (CP), ifosfamide (IF), daunorubicin (DNR), doxorubicin (DXR), and epirubicin (EPI) in human urine. The analysis of samples containing multiple analytes with a dissimilar range of polarities was carried out using a conventional reversed-phase chromatographic BDS Hypersil C8 column. The analytical run was 15 min. The triple quadrupole mass spectrometer was operated in positive ion mode and multiple reaction monitoring (MRM) was used for drug quantification. The method was validated over a concentration range of 0.2 to 4.0 microg.L(-1) for CP, IF, DXR, EPI and 0.15-2.0 microg.L(-1) for DNR in human urine. The lower limit of quantification (LLOQ) was 0.2 microg.L(-1) for CP, IF, EPI and was set at 0.3 and 0.15 microg.L(-1) for DXR and DNR, respectively. The relative standard deviations (RSD%) were <11.2% for inter- and intra-day precisions. The overall accuracy was also within 114.7% for all analytes at the concentrations of the quality control samples. The potential of ionization suppression resulting from the endogenous biological material on the rp-HPLC/MS/MS method was evaluated and measured. The feasibility of the proposed HPLC/ESI-MS/MS procedure was demonstrated by analyzing urine samples from pharmacy technicians and nurses working in hospitals or personnel employed in drug-manufacturing plants.

  20. Development of a liquid chromatography-electrospray ionization-tandem mass spectrometry method for the simultaneous analysis of intact glucosinolates and isothiocyanates in Brassicaceae seeds and functional foods.

    PubMed

    Franco, P; Spinozzi, S; Pagnotta, E; Lazzeri, L; Ugolini, L; Camborata, C; Roda, A

    2016-01-08

    A new high pressure liquid chromatography-electrospray ionization-tandem mass spectrometry method for the simultaneous determination of glucosinolates, as glucoraphanin and glucoerucin, and the corresponding isothiocyanates, as sulforaphane and erucin, was developed and applied to quantify these compounds in Eruca sativa defatted seed meals and enriched functional foods. The method involved solvent extraction, separation was achieved in gradient mode using water with 0.5% formic acid and acetonitrile with 0.5% formic acid and using a reverse phase C18 column. The electrospray ion source operated in negative and positive mode for the detection of glucosinolates and isothiocyanates, respectively, and the multiple reaction monitoring (MRM) was selected as acquisition mode. The method was validated following the ICH guidelines. Replicate experiments demonstrated a good accuracy (bias%<10%) and precision (CV%<10%). Detection limits and quantification limits are in the range of 1-400ng/mL for each analytes. Calibration curves were validated on concentration ranges from 0.05 to 50μg/mL. The method proved to be suitable for glucosinolates and isothiocyanates determination both in biomasses and in complex matrices such as food products enriched with glucosinolates, or nutraceutical bakery products. In addition, the developed method was applied to the simultaneous determination of glucosinolates and isothiocyanates in bakery product enriched with glucosinolates, to evaluate their thermal stability after different industrial processes from cultivation phases to consumer processing.

  1. Fully validated method for rapid and simultaneous measurement of six antiepileptic drugs in serum and plasma using ultra-performance liquid chromatography-electrospray ionization tandem mass spectrometry.

    PubMed

    Kuhn, Joachim; Knabbe, Cornelius

    2013-06-15

    Therapeutic drug monitoring (TDM) may be very useful in the clinical management of antiepileptic drug therapy for multiple reasons, such as individual variability, metabolism, genetic factors or drug-drug or drug-food interactions. In addition, TDM is helpful to study the variation in pharmacokinetics that occurs between individuals. Here, we describe a rapid assay using ultra-performance liquid chromatography-electrospray ionization tandem mass spectrometry to measure the antiepileptic drugs lacosamide, lamotrigine, levetiracetam, primidone, topiramate, and zonisamide. After the addition of internal standards (ISs) and protein precipitation of serum or plasma, 1 μl of sample was separated on a 2.1×50 mm reverse phase column (Waters, Acquity UPLC BEH Phenyl, 1.7 μm). Analytes were then ionized and detected by electrospray ionization mass spectrometry with multiple reaction monitoring. Runtime was 2.5 min per injection. Matrix effects were investigated by systematical ion suppression and in-source fragmentation experiments. The calibration curves of the 6 antiepileptic drugs were linear over the working range between 0.05 and 50 mg/L (r>0.99). The limit of detection (LOD) was <0.05 mg/L, whereas the limit of quantification (LLOQ) was 0.10 mg/L of all drugs measured in the assay. The intraassay and interassay coefficients of variation for all compounds were <15% for very low concentration (0.1 mg/L) and <8% in the clinically relevant concentration range (>1.0 mg/L). Mean recoveries were between 87.8 and 98.6% for all drugs. There were no significant ion suppressions detected at the elution times of the analytes. The mean differences between serum and heparinized plasma values were less than 6% for the 6 antiepileptic drugs. All drugs were stable in serum at -20°C, 4°C, and even at RT for at least 1 month. In summary, a specific and sensitive stable isotope dilution UPLC-MS/MS method was developed and validated for routine clinical monitoring of lacosamide

  2. Ionization probes of molecular structure and chemistry

    SciTech Connect

    Johnson, P.M.

    1993-12-01

    Various photoionization processes provide very sensitive probes for the detection and understanding of the spectra of molecules relevant to combustion processes. The detection of ionization can be selective by using resonant multiphoton ionization or by exploiting the fact that different molecules have different sets of ionization potentials. Therefore, the structure and dynamics of individual molecules can be studied even in a mixed sample. The authors are continuing to develop methods for the selective spectroscopic detection of molecules by ionization, and to use these methods for the study of some molecules of combustion interest.

  3. Dating the Martian meteorite Zagami by the 87Rb-87Sr isochron method with a prototype in situ resonance ionization mass spectrometer

    PubMed Central

    Scott Anderson, F; Levine, Jonathan; Whitaker, Tom J

    2015-01-01

    RATIONALE The geologic history of the Solar System builds on an extensive record of impact flux models, crater counts, and ∼270 kg of lunar samples analyzed in terrestrial laboratories. However, estimates of impactor flux may be biased by the fact that most of the dated Apollo samples were only tenuously connected to an assumed geologic context. Moreover, uncertainties in the modeled cratering rates are significant enough to lead to estimated errors for dates on Mars and the Moon of ∼1 Ga. Given the great cost of sample return missions, combined with the need to sample multiple terrains on multiple planets, we have developed a prototype instrument that can be used for in situ dating to better constrain the age of planetary samples. METHODS We demonstrate the first use of laser ablation resonance ionization mass spectrometry for 87Rb-87Sr isochron dating of geological specimens. The demands of accuracy and precision have required us to meet challenges including regulation of the ambient temperature, measurement of appropriate backgrounds, sufficient ablation laser intensity, avoidance of the defocusing effect of the plasma created by ablation pulses, and shielding of our detector from atoms and ions of other elements. RESULTS To test whether we could meaningfully date planetary materials, we have analyzed a piece of the Martian meteorite Zagami. In each of four separate measurements we obtained 87Rb-87Sr isochron ages for Zagami consistent with its published age, and, in both of two measurements that reached completion, we obtained better than 200 Ma precision. Combining all our data into a single isochron with 581 spot analyses gives an 87Rb-87Sr age for this specimen of 360 ±90 Ma. CONCLUSIONS Our analyses of the Zagami meteorite represent the first successful application of resonance ionization mass spectrometry to isochron geochronology. Furthermore, the technique is miniaturizable for spaceflight and in situ dating on other planetary bodies. © 2014 The

  4. A method for simultaneous analysis of phytosterols and phytosterol esters in tobacco leaves using non aqueous reversed phase chromatography and atmospheric pressure chemical ionization mass spectrometry detector.

    PubMed

    Ishida, Naoyuki

    2014-05-02

    While numerous analytical methods for phytosterols have been reported, the similar polarity and large molecules of phytosterol esters have made the methods lengthy and complicated. For this reason, an analytical method that could completely separate phytosterol esters including the higher fatty acids such as palmitic acid, stearic acid, oleic acid, linoleic acid and linolenic acid in addition to phytosterols without preliminary separation was developed. The separation was accomplished by non-aqueous reversed phase chromatography technique using only acetone and acetonitrile. An atmospheric pressure chemical ionization/mass spectrometry detector configured at selected ion monitoring mode was hyphenated with the separation system to detect phytosterols and phytosterol esters. Twenty-four types of these were consequently separated and then identified with their authentic components. The calibration curve was drawn in the range of about 5 to 25,000 ng/mL with a regression coefficient over 0.999. The limit of detection and limit of quantification, respectively, ranged from 0.9 to 3.0 ng/mL and from 3.0 to 11.0 ng/mL. Recovery rates ranged from 80 to 120%. The quantification results were subjected to statistical analysis and hierarchical clustering analysis, and were used to determine the differences in the amounts of phytosterols and phytosterol esters across tobacco leaves. The newly developed method succeeded in clarifying the whole composition of phytosterols and phytosterol esters in tobacco leaves and in explaining compositional differences across the variety of tobacco leaves.

  5. A METHOD FOR REGENERATION OF SPENT ELECTROCHEMICAL DECONTAMINATION SOLUTION AND ITS TREATMENT FOR FINAL DISPOSAL

    SciTech Connect

    Davydov, D.Yu.; Davydov, Yu.P.; Toropov, I.G.; John, J.; Rosikova, K.; Motl, A.; Hudson, M.J.; Prazska, M.

    2003-02-27

    This paper describes the method of regeneration of spent electrochemical decontamination solution. The proposed method allows separation of radionuclides and stable metals from spent decontamination solution in a form suitable for final disposal and repeated use of the remaining solution for electrochemical decontamination. Development of this method was based on the results of the speciation studies which showed that Fe(III) can be precipitated in the presence of organic complexing agents, in a form of iron hydroxide, and Ag-110m, Co-60, Mn-54 radionuclides can be coprecipitated on it. In order to verify the conclusions made as a result of the speciation studies, the experiments with electrochemically prepared simulant solution and real solution were carried out. The test results proved that the proposed method can be applied in practice. Treatment of the ultimately spent decontamination solutions can be also made applying iron precipitation, which allows for removal of the bulk amount of contaminants, as the first step. Then, if necessary the remaining radionuclides can be removed by sorption. A series of novel absorbers has been tested for their potential for the sorption removal of the remaining radionuclides from the supernate. The test results showed that most of them were more effective in neutral or alkaline range of pH, however, the high efficiency of the sorption removal can be achieved only after the removal of the oxalic and citric acids from solution.

  6. Subcycle electron emission in sequential double ionization by elliptical laser pulses

    NASA Astrophysics Data System (ADS)

    Tong, Ai-Hong; Li, Ying-Bin

    2016-12-01

    Using a classical ensemble method, we have investigated sequential double ionization (SDI) of Ar atoms driven by elliptical laser pulses. The results show that the ion momentum distribution of the Ar atoms depends strongly on the pulse duration. As the pulse duration increases, the ion momentum distribution changes from two bands to four bands and then to six bands and finally to an eight-band structure. Back analysis of double ionization trajectories shows that the variation of the band structure originates from pulse duration dependent multiple ionization bursts of the second electron. Our calculations indicate that the subcycle electron emission in the SDI could be more easily accessed by using elliptical laser pulses with a longer wavelength. Moreover, we show that there is good correspondence between the scaled radial momentum and the ionization time.

  7. Pulse duration dependence of atomic sequential double ionization by circular laser pulses

    NASA Astrophysics Data System (ADS)

    Tong, Aihong; Chen, Liangyuan; Li, Yingbin

    2016-09-01

    Using classical ensemble method, we have investigated the pulse duration dependence of sequential double ionization (SDI) of Ar atoms driven by circularly polarized laser pulses. The results show that the ion momentum distribution of Ar atoms depends strongly on the pulse duration. As the pulse duration increases, the ion momentum distribution changes from single-ring to double-ring structure, and finally to the single-ring structure. Back analysis of double ionization trajectories shows that the variation of the ring structure originates from the dependence of the ionization time of the second electron on the pulse duration. Moreover, our calculations clearly manifest the subcycle electron emission in sequential double ionization by circularly polarized laser pulses.

  8. NR2 and P3+: Accurate, Efficient Electron-Propagator Methods for Calculating Valence, Vertical Ionization Energies of Closed-Shell Molecules.

    PubMed

    Corzo, H H; Galano, Annia; Dolgounitcheva, O; Zakrzewski, V G; Ortiz, J V

    2015-08-20

    Two accurate and computationally efficient electron-propagator (EP) methods for calculating the valence, vertical ionization energies (VIEs) of closed-shell molecules have been identified through comparisons with related approximations. VIEs of a representative set of closed-shell molecules were calculated with EP methods using 10 basis sets. The most easily executed method, the diagonal, second-order (D2) EP approximation, produces results that steadily rise as basis sets are improved toward values based on extrapolated coupled-cluster singles and doubles plus perturbative triples calculations, but its mean errors remain unacceptably large. The outer valence Green function, partial third-order and renormalized partial third-order methods (P3+), which employ the diagonal self-energy approximation, produce markedly better results but have a greater tendency to overestimate VIEs with larger basis sets. The best combination of accuracy and efficiency with a diagonal self-energy matrix is the P3+ approximation, which exhibits the best trends with respect to basis-set saturation. Several renormalized methods with more flexible nondiagonal self-energies also have been examined: the two-particle, one-hole Tamm-Dancoff approximation (2ph-TDA), the third-order algebraic diagrammatic construction or ADC(3), the renormalized third-order (3+) method, and the nondiagonal second-order renormalized (NR2) approximation. Like D2, 2ph-TDA produces steady improvements with basis set augmentation, but its average errors are too large. Errors obtained with 3+ and ADC(3) are smaller on average than those of 2ph-TDA. These methods also have a greater tendency to overestimate VIEs with larger basis sets. The smallest average errors occur for the NR2 approximation; these errors decrease steadily with basis augmentations. As basis sets approach saturation, NR2 becomes the most accurate and efficient method with a nondiagonal self-energy.

  9. A validated positive chemical ionization GC/MS method for the identification and quantification of amphetamine, opiates, cocaine, and metabolites in human postmortem brain.

    PubMed

    Lowe, Ross H; Barnes, Allan J; Lehrmann, Elin; Freed, William J; Kleinman, Joel E; Hyde, Thomas M; Herman, Mary M; Huestis, Marilyn A

    2006-02-01

    A sensitive and specific method for the simultaneous detection and quantification of amphetamine, opiates, and cocaine and metabolites in human postmortem brain was developed and validated. Analytes of interest included amphetamine, morphine, codeine, 6-acetylmorphine, cocaine, benzoylecgonine, ecgonine methyl ester, ecgonine ethyl ester, cocaethylene, and anhydroecgonine methyl ester. The method employed ultrasonic homogenization of brain tissue in pH 4.0 sodium acetate buffer and solid phase extraction. Extracts were derivatized with N-methyl-N-(tert-butyldimethylsilyl) trifluoroacetamide and N,O-bis(trimethylsilyl) trifluoroacetamide. Separation and quantification were accomplished on a bench-top positive chemical ionization capillary gas chromatograph/mass spectrometer with selected ion monitoring. Eight deuterated analogs were used as internal standards. Limits of quantification were 50 ng/g of brain. Calibration curves were linear to 1000 ng/g for anhydroecgonine methyl ester and 6-acetylmorphine, and to 2000 ng/g for all other analytes. Accuracy across the linear range of the assay ranged from 90.2 to 112.2%, and precision, as percent relative standard deviation, was less than 16.6%. Quantification of drug concentrations in brain is a useful research tool in neurobiology and in forensic and postmortem toxicology, identifying the type, relative magnitude, and recency of abused drug exposure. This method will be employed to quantify drug concentrations in human postmortem brain in support of basic and clinical research on the physiologic, biochemical, and behavioral effects of drugs in humans.

  10. Evaluation of a Semiquantitative Matrix-Assisted Laser Desorption Ionization-Time of Flight Mass Spectrometry Method for Rapid Antimicrobial Susceptibility Testing of Positive Blood Cultures.

    PubMed

    Jung, Jette S; Hamacher, Christina; Gross, Birgit; Sparbier, Katrin; Lange, Christoph; Kostrzewa, Markus; Schubert, Sören

    2016-11-01

    With the increasing prevalence of multidrug-resistant Gram-negative bacteria, rapid identification of the pathogen and its individual antibiotic resistance is crucial to ensure adequate antiinfective treatment at the earliest time point. Matrix-assisted laser desorption ionization-time of flight (MALDI-TOF) mass spectrometry for the identification of bacteria directly from the blood culture bottle has been widely established; however, there is still an urgent need for new methods that permit rapid resistance testing. Recently, a semiquantitative MALDI-TOF mass spectrometry-based method for the prediction of antibiotic resistance was described. We evaluated this method for detecting nonsusceptibility against two β-lactam and two non-β-lactam antibiotics. A collection of 30 spiked blood cultures was tested for nonsusceptibility against gentamicin and ciprofloxacin. Furthermore, 99 patient-derived blood cultures were tested for nonsusceptibility against cefotaxime, piperacillin-tazobactam, and ciprofloxacin in parallel with MALDI-TOF mass spectrometry identification from the blood culture fluid. The assay correctly classified all isolates tested for nonsusceptibility against gentamicin and cefotaxime. One misclassification for ciprofloxacin nonsusceptibility and five misclassifications for piperacillin-tazobactam nonsusceptibility occurred. Identification of the bacterium and prediction of nonsusceptibility was possible within approximately 4 h.

  11. Liquid chromatography-electrospray ionization tandem mass spectrometry and dynamic multiple reaction monitoring method for determining multiple pesticide residues in tomato.

    PubMed

    Andrade, G C R M; Monteiro, S H; Francisco, J G; Figueiredo, L A; Botelho, R G; Tornisielo, V L

    2015-05-15

    A quick and sensitive liquid chromatography-electrospray ionization tandem mass spectrometry method, using dynamic multiple reaction monitoring and a 1.8-μm particle size analytical column, was developed to determine 57 pesticides in tomato in a 13-min run. QuEChERS (quick, easy, cheap, effective, rugged, and safe) method for samples preparations and validations was carried out in compliance with EU SANCO guidelines. The method was applied to 58 tomato samples. More than 84% of the compounds investigated showed limits of detection equal to or lower than 5 mg kg(-1). A mild (<20%), medium (20-50%), and strong (>50%) matrix effect was observed for 72%, 25%, and 3% of the pesticides studied, respectively. Eighty-one percent of the pesticides showed recoveries ranging between 70% and 120%. Twelve pesticides were detected in 35 samples, all below the maximum residue levels permitted in the Brazilian legislation; 15 samples exceeded the maximum residue levels established by the EU legislation for methamidophos; and 10 exceeded limits for acephate and four for bromuconazole.

  12. A positive chemical ionization GC/MS method for the determination of airborne ethylene glycol and propylene glycols in non-occupational environments.

    PubMed

    Zhu, Jiping; Feng, Yong-Lai; Aikawa, Bio

    2004-11-01

    An analytical method for ethylene glycol and propylene glycols has been developed for measuring airborne levels of these chemicals in non-occupational environments such as residences and office buildings. The analytes were collected on charcoal tubes, solvent extracted, and analyzed by gas chromatography-mass spectrometry using a positive chemical ionization technique. The method had a method detection limit of 0.07 microg m(-3) for ethylene glycol and 0.03 microg m(-3) for 1,2- and 1,3-propylene glycols, respectively, based on a 1.44 m3 sampling volume. Indoor air samples of several residential homes and other indoor environments have been analyzed. The median concentrations of ethylene glycol and 1,2-propylene glycol in nine residential indoor air samples were 53 microg m(-3) and 13 microg m(-3) respectively with maximum values of 223 microg m(-3) and 25 microg m(-3) detected for ethylene glycol and 1,2-propylene glycol respectively. The concentrations of these two chemicals in one office and two laboratories were at low microg m(-3) levels. The maximum concentration of 1,3-propylene glycol detected in indoor air was 0.1 microg m(-3).

  13. Liquid chromatography-particle beam electron ionization mass spectrometry method for analysis of botanical extracts: evaluation of ephedrine alkaloids in standard reference materials.

    PubMed

    Castro, Joaudimir; Krishna, M V Balarama; Marcus, R Kenneth

    2010-01-01

    The preliminary validation of a high-performance liquid chromatography particle beam mass spectrometry method (HPLC-PB/MS) with electron impact ionization source for analysis of botanical extracts is presented. The LC-PB/MS system was evaluated for the analysis of ephedrine alkaloids using ephedra-containing National Institute of Standards and Technology dietary supplement standard reference materials (SRMs) 3241 Ephedra Sinica Stapf Native Extract and 3242 Ephedra Sinica Stapf Commercial Extract. The ephedrine alkaloids were separated by reversed-phase chromatography using a phenyl column at room temperature. A linear gradient method with a mobile phase composition varying from 5:95 [MeOH:0.1% trifluoroacetic acid (TFA) in water] to 20:80 (MeOH:0.1% TFA in water) at a flow rate of 1.0 ml/min, with an analysis time of less than 20 min, was used. The source block temperature was evaluated to determine the optimal operating conditions by monitoring the intensities and fragmentation patterns of the ephedrine alkaloids. Ephedrine and N-methylephedrine were taken as a representative of the test alkaloids. The LODs on the sub-nanogram level were achieved, with ephedrine, pseudoephedrine, and methylephedrine in the SRMs quantified by a standard addition method with recoveries of > or = 86% and RSDs of < or = 14% (n = 3).

  14. A Post-Final Assignment for the Methods Course: Providing an Incentive to Professional Growth for Future Teachers.

    ERIC Educational Resources Information Center

    Bentley, Michael L.

    This paper describes J. Rosengren's post-final assignment and M. Harmin's truth signs activity that were incorporated into a secondary science methods course for preservice teachers. The strength of the post-final assignment is that it is a strategy for extending student learning past the end of a course and even beyond the initial teaching…

  15. Comparison of Vitek Matrix-assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry Versus Conventional Methods in Candida Identification.

    PubMed

    Keçeli, Sema Aşkın; Dündar, Devrim; Tamer, Gülden Sönmez

    2016-02-01

    Candida species are generally identified by conventional methods such as germ tube or morphological appearance on corn meal agar, biochemical methods using API kits and molecular biological methods. Alternative to these methods, rapid and accurate identification methods of microorganisms called matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDİ-TOF MS) has recently been described. In this study, Candida identification results by API Candida kit, API 20C AUX kit and identifications on corn meal agar (CMA) are compared with the results obtained on Vitek-MS. All results were confirmed by sequencing internal transcribed spacer (ITS) regions of rDNA. Totally, 97 Candida strains were identified by germ tube test, CMA, API and Vitek-MS. Vitek-MS results were compatible with 74.2 % of API 20C AUX and 81.4 % of CMA results. The difference between the results of API Candida and API 20C AUX was detected. The ratio of discrepancy between Vitek-MS and API 20C AUX was 25.8 %. Candida species mostly identified as C. famata or C. tropicalis by and not compatible with API kits were identified as C. albicans by Vitek-MS. Sixteen Candida species having discrepant results with Vitek-MS, API or CMA were randomly chosen, and ITS sequence analysis was performed. The results of sequencing were compatible 56.2 % with API 20C AUX, 50 % with CMA and 93.7 % with Vitek-MS. When compared with conventional identification methods, MS results are more reliable and rapid for Candida identification. MS system may be used as routine identification method in clinical microbiology laboratories.

  16. Correction factors for the NMi free-air ionization chamber for medium-energy x-rays calculated with the Monte Carlo method.

    PubMed

    Grimbergen, T W; van Dijk, E; de Vries, W

    1998-11-01

    A new method is described for the determination of x-ray quality dependent correction factors for free-air ionization chambers. The method is based on weighting correction factors for mono-energetic photons, which are calculated using the Monte Carlo method, with measured air kerma spectra. With this method, correction factors for electron loss, scatter inside the chamber and transmission through the diaphragm and front wall have been calculated for the NMi free-air chamber for medium-energy x-rays for a wide range of x-ray qualities in use at NMi. The newly obtained correction factors were compared with the values in use at present, which are based on interpolation of experimental data for a specific set of x-ray qualities. For x-ray qualities which are similar to this specific set, the agreement between the correction factors determined with the new method and those based on the experimental data is better than 0.1%, except for heavily filtered x-rays generated at 250 kV. For x-ray qualities dissimilar to the specific set, differences up to 0.4% exist, which can be explained by uncertainties in the interpolation procedure of the experimental data. Since the new method does not depend on experimental data for a specific set of x-ray qualities, the new method allows for a more flexible use of the free-air chamber as a primary standard for air kerma for any x-ray quality in the medium-energy x-ray range.

  17. Contrast Enhanced Ultrasound - A Novel Non-Invasive Non-Ionizing Method for the Detection of Brown Adipose Tissue in Humans

    PubMed Central

    Flynn, A.; Li, Q.; Panagia, M.; Abdelbaky, A.; MacNabb, M.; Samir, A.; Cypess, AM.; Weyman, AE.; Tawakol, A.; Scherrer-Crosbie, M.

    2015-01-01

    Background Brown adipose tissue (BAT) consumes glucose when it is activated by cold exposure, allowing its detection in humans by 18-F fluorodeoxyglucose positron emission tomography with computed tomography (18F-FDG PET-CT). We recently described a novel non-invasive and non-ionizing imaging method to assess BAT in mice using contrast enhanced ultrasound (CEUS). Here, we report the application of this method in healthy humans. Methods Thirteen healthy volunteers were recruited. CEUS was performed before and after cold exposure in all subjects using a continuous intravenous infusion of perflutren gas filled lipid microbubbles and triggered imaging of the supraclavicular space. The first 5 subjects received microbubbles at a lower infusion rate than the subsequent 8 subjects, and are analyzed as a separate group. Blood flow was estimated by the product of the plateau (A) and the slope (β) of microbubble replenishment curves. All underwent 18F-FDG PET-CT after cold exposure. Results An increase in the acoustic signal was noted in the supraclavicular adipose tissue area with increasing triggering intervals in all subjects, demonstrating the presence of blood flow. The area imaged by CEUS co-localized with BAT, as detected by 18F-FDG PET-CT. In a cohort of 8 subjects with an optimized CEUS protocol, CEUS-derived BAT blood flow increased with cold exposure compared to basal BAT blood flow in warm conditions (Aβ 3.3 [0.5–5.7] AU/s vs. 1.25 [0.5–2.6] AU/s; p=0.02). Of these 8 subjects, 5 had a >2-fold increase in their blood flow after cold exposure; these responders had higher BAT activity measured by 18F-FDG PET-CT (SUVmax 2.25 [1.53–4.57] vs. 0.51 [0.47–0.73]; p=0.02). Conclusions The present study demonstrates the feasibility of using CEUS as a non-invasive, non-ionizing imaging modality in estimating BAT blood flow in young, healthy humans. CEUS may be a useful and scalable tool in the assessment of BAT and BAT-targeted therapies. PMID:26255029

  18. Ionization potentials of seaborgium

    SciTech Connect

    Johnson, E.; Pershina, V.; Fricke, B.

    1999-10-21

    Multiconfiguration relativistic Dirac-Fock values were calculated for the first six ionization potentials of seaborgium and of the other group 6 elements. No experimental ionization potentials are available for seaborgium. Accurate experimental values are not available for all of the other ionization potentials. Ionic radii for the 4+ through 6+ ions of seaborgium are also presented. The ionization potentials and ionic radii obtained will be used to predict some physiochemical properties of seaborgium and its compounds.

  19. Ionization Cooling using Parametric Resonances

    SciTech Connect

    Johnson, Rolland P.

    2008-06-07

    Ionization Cooling using Parametric Resonances was an SBIR project begun in July 2004 and ended in January 2008 with Muons, Inc., (Dr. Rolland Johnson, PI), and Thomas Jefferson National Accelerator Facility (JLab) (Dr. Yaroslav Derbenev, Subcontract PI). The project was to develop the theory and simulations of Parametric-resonance Ionization Cooling (PIC) so that it could be used to provide the extra transverse cooling needed for muon colliders in order to relax the requirements on the proton driver, reduce the site boundary radiation, and provide a better environment for experiments. During the course of the project, the theoretical understanding of PIC was developed and a final exposition is ready for publication. Workshops were sponsored by Muons, Inc. in May and September of 2007 that were devoted to the PIC technique. One outcome of the workshops was the interesting and somewhat unexpected realization that the beam emittances using the PIC technique can get small enough that space charge forces can be important. A parallel effort to develop our G4beamline simulation program to include space charge effects was initiated to address this problem. A method of compensating for chromatic aberrations by employing synchrotron motion was developed and simulated. A method of compensating for spherical aberrations using beamline symmetry was also developed and simulated. Different optics designs have been developed using the OptiM program in preparation for applying our G4beamline simulation program, which contains all the power of the Geant4 toolkit. However, no PIC channel design that has been developed has had the desired cooling performance when subjected to the complete G4beamline simulation program. This is believed to be the consequence of the difficulties of correcting the aberrations associated with the naturally large beam angles and beam sizes of the PIC method that are exacerbated by the fringe fields of the rather complicated channel designs that have been

  20. Ionization Energies of Lanthanides

    ERIC Educational Resources Information Center

    Lang, Peter F.; Smith, Barry C.

    2010-01-01

    This article describes how data are used to analyze the pattern of ionization energies of the lanthanide elements. Different observed pathways of ionization between different ground states are discussed, and the effects of pairing, exchange, and orbital interactions on ionization energies of the lanthanides are evaluated. When all the above…

  1. Atmospheric sampling glow discharge ionization source

    DOEpatents

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

    1989-07-18

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

  2. An ultrahigh-performance liquid chromatography method with electrospray ionization tandem mass spectrometry for simultaneous quantification of five phytohormones in medicinal plant Glycyrrhiza uralensis under abscisic acid stress.

    PubMed

    Xiang, Yu; Song, Xiaona; Qiao, Jing; Zang, Yimei; Li, Yanpeng; Liu, Yong; Liu, Chunsheng

    2015-07-01

    An efficient simplified method was developed to determine multiple classes of phytohormones simultaneously in the medicinal plant Glycyrrhiza uralensis. Ultrahigh-performance liquid chromatography electrospray ionization tandem mass spectrometry (UPLC/ESI-MS/MS) with multiple reaction monitoring (MRM) in negative mode was used for quantification. The five studied phytohormones are gibberellic acid (GA3), abscisic acid (ABA), jasmonic acid (JA), indole-3-acetic acid, and salicylic acid (SA). Only 100 mg of fresh leaves was needed, with one purification step based on C18 solid-phase extraction. Cinnamic acid was chosen as the internal standard instead of isotope-labeled internal standards. Under the optimized conditions, the five phytohormones with internal standard were separated within 4 min, with good linearities and high sensitivity. The validated method was applied to monitor the spatial and temporal changes of the five phytohormones in G. uralensis under ABA stress. The levels of GA3, ABA, JA, and SA in leaves of G. uralensis were increased at different times and with different tendencies in the reported stress mode. These changes in phytohormone levels are discussed in the context of a possible feedback regulation mechanism. Understanding this mechanism will provide a good chance of revealing the mutual interplay between different biosynthetic routes, which could further help elucidate the mechanisms of effective composition accumulation in medicinal plants.

  3. A method for quantitating the intracellular metabolism of AZT amino acid phosphoramidate pronucleotides by capillary high-performance liquid chromatography-electrospray ionization mass spectrometry.

    PubMed

    Kim, Jisook; Park, Soobong; Tretyakova, Natalia Y; Wagner, Carston R

    2005-01-01

    A methodology has been developed for the analysis of the intracellular metabolism of 3'-azido-3'-deoxythymidine (AZT) amino acid phosphoramidates utilizing reverse-phase high-performance liquid chromatography interfaced with negative ion electrospray ionization mass spectrometry (LC/ESI(-) -MS). The presented work demonstrates the potential of capillary LC/MS and LC/MS/MS to identify and quantitate the cellular uptake and metabolism of nucleoside phosphoramidate. Significant intracellular amounts of D- and L-phenylalanine methyl ester or D- and L-tryptophan methyl ester AZT phosphoramidates were observed for human T-lymphoblastoid leukemia (CEM) cells incubated for 2 and 4 h with the prodrugs. AZT-MP was the primary metabolite observed for human T-lymphoblastoid leukemia (CEM) cells. In this paper, the details of using LC/MS to analyze AZT amino acid phosphoramidates in biological samples are discussed. LC/MS is an efficient method for analyzing multiple samples containing several analytes in a short period of time. The method also provides high selectivity and sensitivity, and requires minimal sample preparation. This approach should be broadly applicable for the analysis of the intracellular metabolism of nucleoside prodrugs and pronucleotides.

  4. The effect of muscle, cooking method and final internal temperature on quality parameters of beef roast.

    PubMed

    Modzelewska-Kapituła, Monika; Dąbrowska, Ewa; Jankowska, Barbara; Kwiatkowska, Aleksandra; Cierach, Marek

    2012-06-01

    The aim of the study was to evaluate the influence of cooking conditions (dry air and steam) and final internal temperature (75, 85, 95°C) on the physico-chemical properties of beef infraspinatus (INF) and semimembranosus (SEM) muscles as well as their tenderness and juiciness. Cooking method and temperature influenced moisture, total collagen content in cooked meat and cooking loss, whereas muscle type affected fat, total collagen content and cooking loss. Warner-Bratzler shear force values were affected by cooking method, which also influenced juiciness of roasts. Temperature affected tenderness and juiciness, whereas muscle type influenced juiciness. The most desirable tenderness had INF heated in steam and dry air to 95°C. Processing SEM in dry air to 85 and 95°C lowered the juiciness of the roasts. There were significant correlations between physico-chemical, sensorial and image attributes, however high accuracy of prediction (r(2)>0.8) was achieved only for SEM muscle.

  5. Epicyclic Twin-Helix Ionization Cooling Simulations

    SciTech Connect

    Vasiliy Morozov, Yaroslav Derbenev, A. Afanaciev, R.P. Johnson

    2011-04-01

    Parametric-resonance Ionization Cooling (PIC) is proposed as the final 6D cooling stage of a highluminosity muon collider. For the implementation of PIC, we earlier developed an epicyclic twin-helix channel with correlated behavior of the horizontal and vertical betatron motions and dispersion. We now insert absorber plates with short energy-recovering units located next to them at the appropriate locations in the twin-helix channel. We first demonstrate conventional ionization cooling in such a system with the optics uncorrelated. We then adjust the correlated optics state and induce a parametric resonance to study ionization cooling under the resonant condition.

  6. A sensitive method for digoxin determination using formate-adduct ion based on the effect of ionization enhancement in liquid chromatograph-mass spectrometer.

    PubMed

    Li, Xia; Wang, Yu; Zhou, Qingyuan; Yu, Yunqiu; Chen, Lihong; Zheng, Jie

    2015-01-26

    A sensitive and rapid method based on formate-adduct ion detection was developed and fully validated for digoxin determination in rat plasma. For LC/MS/MS detection with formate-adducts as precursor ions, transitions of m/z 825.5→779.9 for digoxin and m/z 809.5→763.4 for the internal standard (digitoxin) were monitored in negative mode. To investigate the impact of formic acid on the mass response and method sensitivity, a formic acid concentration range of 0-0.1% (0, 0.0005%, 0.002%, 0.01%, 0.1%, v/v) was evaluated. A concentration of 0.002% gave the highest sensitivity, which was 16- to 18-fold higher than deprotonated ions, and was designated as the contribution giving the strongest ionization enhancement and adduction. A number of parameters were then varied in order to optimize the method, and a limit of quantitation (LOQ) at 0.2 ng/mL was reached with an injection volume of 5 μL, a total run time of 3 min, and 0.1 mL of rat plasma. A calibration curve was plotted over the range 0.2-50 ng/mL (R(2)=0.9998), and the method was successfully applied to study pharmacokinetics in rat following a single oral administration of digoxin (0.05 mg/kg). Four additional steroid saponins (digitoxin, deslanoside, ginsenoside Rg1 and Rb1) were investigated to assess the impact of formic acid on the mass response of steroid saponins. Compounds with a conjugated lactonic ring in their structures such as digoxin, digitoxin and deslanoside tended to form stable formate-adduct ions more easily. The LC/MS/MS method developed here is therefore well suited for the quantification of steroid saponins that are difficult to deprotonate using other MS approaches.

  7. A Nanoparticle-based Solid Phase Extraction Method for Liquid Chromatography-Electrospray Ionization-Tandem Mass Spectrometric Analysis

    PubMed Central

    Song, Yaru; Zhao, Shulin; Tchounwou, Paul; Liu, Yi-Ming

    2007-01-01

    A solid-phase extraction (SPE) procedure with the use of superparamagnetic Fe3O4 nanoparticles as extracting agent was developed for HPLC-ESI-MS/MS analysis. Four most heavily used triazine pesticides (herbicides) were taken as the test compounds. The NPs showed an excellent capability to retain the compounds tested, and a quantitative extraction was achieved within 10 min under the testing conditions, i.e. 100 μL NP solution was added to 400 mL sample in a beaker with stirring. After extraction, the superparamagnetic NPs were easily collected by using an external magnet. Very importantly, analytes retained on the Fe3O4 NPs could be quantitatively recovered by dissolving the NPs with an HCl solution, allowing subsequent HPLC-ESI-MS/MS quantification. A capillary HPLC-ESI-MS/MS method with the present NP-based SPE procedure was developed for the determination of triazines including atrazine, prometryn, terbutryn, and propazine. Atrazine-d5 was used as internal standard. The method had an LOD of 10 pg/mL atrazine, and a linear calibration curve over a range from 30 pg – 50.0 ng/mL. Simultaneous determination of the four triazine pesticides in water samples taken from local lakes was demonstrated. PMID:17723235

  8. Measurement of the top quark mass in the dilepton final state using the matrix element method

    SciTech Connect

    Grohsjean, Alexander

    2008-12-15

    The top quark, discovered in 1995 by the CDF and D0 experiments at the Fermilab Tevatron Collider, is the heaviest known fundamental particle. The precise knowledge of its mass yields important constraints on the mass of the yet-unobserved Higgs boson and allows to probe for physics beyond the Standard Model. The first measurement of the top quark mass in the dilepton channel with the Matrix Element method at the D0 experiment is presented. After a short description of the experimental environment and the reconstruction chain from hits in the detector to physical objects, a detailed review of the Matrix Element method is given. The Matrix Element method is based on the likelihood to observe a given event under the assumption of the quantity to be measured, e.g. the mass of the top quark. The method has undergone significant modifications and improvements compared to previous measurements in the lepton+jets channel: the two undetected neutrinos require a new reconstruction scheme for the four-momenta of the final state particles, the small event sample demands the modeling of additional jets in the signal likelihood, and a new likelihood is designed to account for the main source of background containing tauonic Z decay. The Matrix Element method is validated on Monte Carlo simulated events at the generator level. For the measurement, calibration curves are derived from events that are run through the full D0 detector simulation. The analysis makes use of the Run II data set recorded between April 2002 and May 2008 corresponding to an integrated luminosity of 2.8 fb-1. A total of 107 t$\\bar{t}$ candidate events with one electron and one muon in the final state are selected. Applying the Matrix Element method to this data set, the top quark mass is measured to be mtopRun IIa = 170.6 ± 6.1(stat.)-1.5+2.1(syst.)GeV; mtopRun IIb = 174.1 ± 4.4(stat.)-1.8+2.5(syst.)GeV; m

  9. Alignment- and orientation-dependent strong-field ionization of molecules: Field-induced orbital distortion effects

    NASA Astrophysics Data System (ADS)

    Spiewanowski, Maciej Dominik; Madsen, Lars Bojer

    2015-05-01

    Strong-field ionization (SFI) is a starting point for many strong-field phenomena, e.g., high-order harmonic generation, as well as a source of fundamental information about the ionized target. Therefore, investigation of SFI of atoms and molecules has been the aim for research since the first strong laser pulses became available. We present a recently developed method, adiabatic strong-field approximation, to study ionization yields as a function of alignment angle for CO2, CO, and OCS molecules. We show that orbital distortion plays an important role in explaining the position and relative strength of maxima in the yields for both polar and nonpolar molecules, even for targets with low polarizabilities at low laser intensities. In particular, we report that for ionization of CO2 the maximum in ionization yield shifts towards the experimentally-measured maximum with respect to the strong-field approximation. For ionization of the CO molecule, not only does the theory predict the preferred direction of ionization correctly, but also the ratio between yields for the two molecular orientations where the electric field points either towards the C or towards the O end. Finally, we find that ionization of OCS is more probable for the laser pointing from the O end towards the S end. Work supported by the Natural Sciences and Engineering Research Council of Canada, the ERC-StG (Project No. 277767-TDMET), and the VKR center of excellence, QUS- COPE.

  10. OVERVIEW OF A NEW EPA METHOD: DETERMINATION OF PERCHLORATE IN DRINKING WATER, GROUNDWATER AND HIGH SALINITY WATER BY ION CHROMATOGRAPHY, SUPPRESSED CONDUCTIVITY WITH ELECTROSPRAY IONIZATION MASS SPECTROMETRIC DETECTION

    EPA Science Inventory

    In this presentation the analytical instrumentation and procedures necessary to qualitatively and quantitatively determine low levels of perchlorate (ClO4-) in drinking waters using ion chromatography with electrolytic conductivity suppression, electrospray ionization mass spec...

  11. Ab Initio Study of Ionized Water Radical Cation (H2O)8(+) in Combination with the Particle Swarm Optimization Method.

    PubMed

    Tang, Mei; Hu, Cui-E; Lv, Zhen-Long; Chen, Xiang-Rong; Cai, Ling-Cang

    2016-12-01

    The structures of cationic water clusters (H2O)8(+) have been globally explored by the particle swarm optimization method in combination with quantum chemical calculations. Geometry optimization and vibrational analysis for the 15 most interesting clusters were computed at the MP2/aug-cc-pVDZ level and infrared spectrum calculation at MPW1K/6-311++G** level. Special attention was paid to the relationships between their configurations and energies. Both MP2 and B3LYP-D3 calculations revealed that the cage-like structure is the most stable, which is different from a five-membered ring lowest energy structure but agrees well with a cage-like structure in the literature. Furthermore, our obtained cage-like structure is more stable by 0.87 and 1.23 kcal/mol than the previously reported structures at MP2 and B3LYP-D3 levels, respectively. Interestingly, on the basis of their relative Gibbs free energies and the temperature dependence of populations, the cage-like structure predominates only at very low temperatures, and the most dominating species transforms into a newfound four-membered ring structure from 100 to 400 K, which can contribute greatly to the experimental infrared spectrum. By topological analysis and reduced density gradient analysis, we also investigated the structural characteristics and bonding strengths of these water cluster radical cations.

  12. DETECTORS AND EXPERIMENTAL METHODS: Design and construction of the first prototype ionization chamber for CSNS and PA beam loss monitor (BLM) system

    NASA Astrophysics Data System (ADS)

    Xu, Mei-Hang; Tian, Jian-Min; Chen, Chang; Chen, Yuan-Bo; Xu, Tao-Guang; Lu, Shuang-Tong

    2009-02-01

    Design and construction of the first prototype ionization chamber for CSNS and Proton Accelerator (PA) beam loss monitor (BLM) system is reported. The low leakage current (<0.1 pA), good plateau (approx800 V) and linearity range up to 200 Roentgen/h are obtained in the first prototype. All of these give us good experience for further improving the ionization chamber construction.

  13. Forensic applications of ambient ionization mass spectrometry.

    PubMed

    Ifa, Demian R; Jackson, Ayanna U; Paglia, Giuseppe; Cooks, R Graham

    2009-08-01

    This review highlights and critically assesses forensic applications in the developing field of ambient ionization mass spectrometry. Ambient ionization methods permit the ionization of samples outside the mass spectrometer in the ordinary atmosphere, with minimal sample preparation. Several ambient ionization methods have been created since 2004 and they utilize different mechanisms to create ions for mass-spectrometric analysis. Forensic applications of these techniques--to the analysis of toxic industrial compounds, chemical warfare agents, illicit drugs and formulations, explosives, foodstuff, inks, fingerprints, and skin--are reviewed. The minimal sample pretreatment needed is illustrated with examples of analysis from complex matrices (e.g., food) on various substrates (e.g., paper). The low limits of detection achieved by most of the ambient ionization methods for compounds of forensic interest readily offer qualitative confirmation of chemical identity; in some cases quantitative data are also available. The forensic applications of ambient ionization methods are a growing research field and there are still many types of applications which remain to be explored, particularly those involving on-site analysis. Aspects of ambient ionization currently undergoing rapid development include molecular imaging and increased detection specificity through simultaneous chemical reaction and ionization by addition of appropriate chemical reagents.

  14. WE-E-BRE-11: New Method to Simulate DNA Damage Using Ionization Cross-Sections and a Geometrical Nucleosome Model

    SciTech Connect

    Pater, P; Seuntjens, J; El Naqa, I

    2014-06-15

    Purpose: To obtain probability distributions of various DNA damage types as a function of the incident electron kinetic energy. Methods: Using Geant4-DNA electron ionization cross-sections, we calculated path length distributions for electrons of energies between 10 eV and 1 MeV, defined as the length between two subsequent interactions. These path lengths were then convolved with probability distributions for the creation of same-strand damage, opposite-strand damage, clustered damage, isolated damage, and same DNA strand target damage. These probability distributions of DNA damage were obtained by a Monte Carlo routine calculating probabilities of interaction in DNA targets inside a nucleosome geometrical model. Results represent the probability of a secondary electron, initially created inside a DNA strand target, of undergoing its next interaction: (1) in the opposite strand (DSB), (2) in the same strand (SSB+), (3) in either the opposite or same-strand (clustered), (4) in the same DNA target (multiple-hit) or (5) more than 10 base pairs away (isolated). Results: Electrons with kinetic energy between 50 and 250 eV have a maximal probability of creating DSB, SSB+, clustered damage and multiple-hits in the same target The probabilities for these damage patterns have values of 2.5%, 4.3%, 6.7% and 5.4%, respectively. Isolated damage is most probable between 700 eV to 900 eV with a probability of 0.2%. Conclusion: We obtained DNA damage probability distributions as a function of electron incident energy. We showed that electrons with kinetic energies between 50 and 250 eV have the highest probability of producing complex forms of DNA damage (DSB, SSB+). We also showed that a double ionization within the same DNA target is the most frequent outcome occurring 5% of the time. It is expected that electron slowing down spectra can be convolved with our formalism to calculate source specific DNA damage patterns. Research grants from governments of Canada and Quebec. PP

  15. A novel high-performance liquid chromatography-electron spray ionization-mass spectrometry method for simultaneous determination of guggulsterones, piperine and gallic acid in Triphala guggulu

    PubMed Central

    Muguli, Ganesh; Vadaparthi, P. R. Rao; Ramesh, B.; Gowda, Vishakante; Paramesh, Rangesh; Jadhav, Atul N.; Babu, K. Suresh

    2015-01-01

    “Triphalaguggulu” is an important Ayurvedic formulation comprising of Guggulu, that is, Commiphora wightii (Arn.) Bhandari as a base wherein powdered fruits of triphala, that is, Phyllanthus emblica L., Terminalia bellirica (Gaertn.) Roxb and Terminalia chebula Retz, along with powdered fruit of Piper longum L. are compounded. This polyherbal preparation has been strongly recommended in chronic inflammation, piles, and fistula. However, due to the complexity of compound formulation standardization of commercial products is challenging. In the present communication marker-based standardization of “Triphalaguggulu” preparation using gallic acid (for triphala), piperine (for P. longum L.) and guggulsterones (for guggulu) is reported. These compounds of diverse chemistry were successfully separated on a Waters HR-C18 column by isocratic elution with methanol and water (80:20 v/v) as mobile phase at the flow rate of 1.0 mL/min coupled with photodiode array detector. These optimal chromatographic conditions were used for simultaneous quantification of gallic acid, guggulsterones (E and Z) and piperine in commercial samples by high-performance liquid chromatography-electron spray ionization-mass spectrometry and method was validated as per ICH guidelines. PMID:26109777

  16. Development of an SPE method for the determination of zaleplon and zopiclone in hemolyzed blood using fast GC with negative-ion chemical ionization MS.

    PubMed

    Karlonas, Nerijus; Ramanavicius, Arunas; Ramanaviciene, Almira

    2014-03-01

    An SPE procedure for the determination of zaleplon and zopiclone in low-volume human hemolyzed blood using fast GC with negative-ion chemical ionization MS has been developed and validated. Both analytes were well retained on Oasis MCX and HLB columns, and sufficient extraction efficiency was achieved at pH 9.0. For further study a hydrophilic-lipophilic sorbent Oasis HLB was selected due to the polarity of sorbent surface and its large surface area in order to achieve efficient extraction of both analytes in a single step. Special attention has been paid to choosing washing and eluting solvents, resulting in a particularly/extremely clean and moisture-free extract. The mean extraction efficiency was higher than 90.1% for zaleplon and 82.9% for zopiclone. The precision for zaleplon and zopiclone was between 3.04-10.58% and 4.08-9.52%, respectively. Whereas the accuracy was in the range from -5.73 to 6.00%, and from -7.00 to 6.32% for zaleplon and zopiclone, respectively. The results show that the developed method is accurate, selective, precise, and very fast with excellent recovery and low LOD and LOQ.

  17. A simple and selective method for the measurement of azadirachtin and related azadirachtoid levels in fruits and vegetables using liquid chromatography electrospray ionization tandem mass spectrometry.

    PubMed

    Sarais, Giorgia; Caboni, Pierluigi; Sarritzu, Erika; Russo, Mariateresa; Cabras, Paolo

    2008-05-14

    Neem-based insecticides containing azadirachtin and related azadirachtoids are widely used in agriculture. Here, we report an analytical method for the rapid and accurate quantification of the insecticide azadirachtin A and B and other azadirachtoids such as salannin, nimbin, and their deacetylated analogues on tomatoes and peaches. Azadirachtoids were extracted from fruits and vegetables with acetonitrile. Using high-performance liquid chromatography/electrospray ionization tandem mass spectrometer, azadirachtoids were selectively detected monitoring the multiple reaction transitions of sodium adduct precursor ions. For azadirachtin A, calibration was linear over a working range of 1-1000 microg/L with r > 0.996. The limit of detection and limit of quantification for azadirachtin A were 0.4 and 0.8 microg/kg, respectively. The presence of interfering compounds in the peach and tomato extracts was evaluated and found to be minimal. Because of the linear behavior, it was concluded that the multiple reaction transitions of sodium adduct ions can be used for analytical purposes, that is, for the identification and quantification of azadirachtin A and B and related azadirachtoids in fruit and vegetable extracts at trace levels.

  18. Infrared laser-assisted desorption electrospray ionization mass spectrometry.

    PubMed

    Rezenom, Yohannes H; Dong, Jianan; Murray, Kermit K

    2008-02-01

    We have used an infrared laser for desorption of material and ionization by interaction with electrosprayed solvent. Infrared laser-assisted desorption electrospray ionization (IR LADESI) mass spectrometry was used for the direct analysis of water-containing samples under ambient conditions. An ion trap mass spectrometer was modified to include a pulsed Er:YAG laser at 2.94 microm wavelength coupled into a germanium oxide optical fiber for desorption at atmospheric pressure and a nanoelectrospray source for ionization. Analytes in aqueous solution were placed on a stainless steel target and irradiated with the pulsed IR laser. Material desorbed and ablated from the target was ionized by a continuous stream of charged droplets from the electrosprayed solvent. Peptide and protein samples analyzed using this method yield mass spectra similar to those obtained by conventional electrospray. Blood and urine were analyzed without sample pretreatment to demonstrate the capability of IR LADESI for direct analysis of biological fluids. Pharmaceutical products were also directly analyzed. Finally, the role of water as a matrix in the IR LADESI process is discussed.

  19. Improved methods for water shutoff. Final technical progress report, October 1, 1997--September 30, 1998

    SciTech Connect

    Seright, R.S.; Liang, J.T.; Schrader, R.; Hagstrom, J. II; Liu, J.; Wavrik, K.

    1998-10-01

    In the United States, more than 20 billion barrels of salt water are produced each year during oilfield operations. A tremendous economic incentive exists to reduce water production if that can be accomplished without significantly sacrificing hydrocarbon production. This three-year research project had three objectives. The first objective was to identify chemical blocking agents that will (a) during placement, flow readily through fractures without penetrating significantly into porous rock and with screening out or developing excessive pressure gradients and (b) at a predictable and controllable time, become immobile and resistant breakdown upon exposure to moderate to high pressure gradients. The second objective was to identify schemes that optimize placement of the above blocking agents. The third objective was to explain why gels and other chemical blocking agents reduce permeability to one phase (e.g., water) more than that to another phase (e.g., oil or gas). The authors also wanted to identify conditions that maximize this phenomenon. This project consisted of three tasks, each of which addressed one of the above objectives. This report describes work performed during the third and final period of the project. During this three-year project, they: (1) Developed a procedure and software for sizing gelant treatments in hydraulically fractured production wells; (2) Developed a method (based on interwell tracer results) to determine the potential for applying gel treatments in naturally fractured reservoirs; (3) Characterized gel properties during extrusion through fractures; (4) Developed a method to predict gel placement in naturally fractured reservoirs; (5) Made progress in elucidating the mechanism for why some gels can reduce permeability to water more than that to oil; (6) Demonstrated the limitations of using water/oil ratio diagnostic plots to distinguish between channeling and coning; and (7) Proposed a philosophy for diagnosing and attacking water

  20. Development, optimization, validation and application of faster gas chromatography - flame ionization detector method for the analysis of total petroleum hydrocarbons in contaminated soils.

    PubMed

    Zubair, Abdulrazaq; Pappoe, Michael; James, Lesley A; Hawboldt, Kelly

    2015-12-18

    This paper presents an important new approach to improving the timeliness of Total Petroleum Hydrocarbon (TPH) analysis in the soil by Gas Chromatography - Flame Ionization Detector (GC-FID) using the CCME Canada-Wide Standard reference method. The Canada-Wide Standard (CWS) method is used for the analysis of petroleum hydrocarbon compounds across Canada. However, inter-laboratory application of this method for the analysis of TPH in the soil has often shown considerable variability in the results. This could be due, in part, to the different gas chromatography (GC) conditions, other steps involved in the method, as well as the soil properties. In addition, there are differences in the interpretation of the GC results, which impacts the determination of the effectiveness of remediation at hydrocarbon-contaminated sites. In this work, multivariate experimental design approach was used to develop and validate the analytical method for a faster quantitative analysis of TPH in (contaminated) soil. A fractional factorial design (fFD) was used to screen six factors to identify the most significant factors impacting the analysis. These factors included: injection volume (μL), injection temperature (°C), oven program (°C/min), detector temperature (°C), carrier gas flow rate (mL/min) and solvent ratio (v/v hexane/dichloromethane). The most important factors (carrier gas flow rate and oven program) were then optimized using a central composite response surface design. Robustness testing and validation of model compares favourably with the experimental results with percentage difference of 2.78% for the analysis time. This research successfully reduced the method's standard analytical time from 20 to 8min with all the carbon fractions eluting. The method was successfully applied for fast TPH analysis of Bunker C oil contaminated soil. A reduced analytical time would offer many benefits including an improved laboratory reporting times, and overall improved clean up

  1. Development and validation of a liquid chromatography/electrospray ionization time-of-flight mass spectrometry method for relative and absolute quantification of steroidal alkaloids in Fritillaria species.

    PubMed

    Zhou, Jian-Liang; Li, Ping; Li, Hui-Jun; Jiang, Yan; Ren, Mei-Ting; Liu, Ying

    2008-01-04

    Steroidal alkaloids are naturally occurring nitrogen-containing compounds in many edible or medicinal plants, such as potato, tomato, Fritillaria and American hellebore, which possess a variety of toxicological and pharmacological effects on humans. The aim of this study is to explore the potential of liquid chromatography/electrospray ionization time-of-flight mass spectrometry (LC/ESI-TOF-MS) method in the determination of these important alkaloids in plant matrices. The application of this method has been proven through 26 naturally occurring steroidal alkaloids in Fritillaria species. Accurate mass measurements within 4 ppm error were obtained for all the alkaloids detected out of various plant matrices, which allowed an unequivocal identification of the target steroidal alkaloids. The bunching factor for mass spectrometer, an important parameter significantly affecting the precision and accuracy of quantitative method, was firstly optimized in this work and satisfactory precision and linearity were achieved by the optimization of that parameter. The ranges of RSD values of intra-day and inter-day variability for all alkaloids were decreased remarkably from 41.8-159% and 13.2-140% to 0.32-7.98% and 2.37-16.1%, respectively, when the value of bunching factor was optimized from 1 to 3. Linearity of response more than two orders of magnitude was also demonstrated (regression coefficient >0.99). The LC/TOF-MS detection method offered improvements to the sensitivity, compared with previously applied LC (or GC) methods, with limits of detection down to 0.0014-0.0335 microg/ml. The results in this paper illustrate the robustness and applicability of LC/TOF-MS for steroidal alkaloids analysis in plant samples. In addition, relative quantitative determination of steroidal alkaloid with one popular analyte verticinone which is commercially available was also investigated in order to break through the choke point of lack of standards in phytochemical analysis. The

  2. Dynamics of multiple ionization of atoms and molecules by electron, photon, and ion impact—investigated by the COLTRIMS imaging method

    NASA Astrophysics Data System (ADS)

    Schmidt-Böcking, H.; Schmidt, L.; Weber, Th.; Mergel, V.; Jagutzki, O.; Czasch, A.; Hagmann, S.; Doerner, R.; Demkov, Y.; Jahnke, T.; Prior, M.; Cocke, C. L.; Osipov, T.; Landers, A.

    2004-10-01

    Fully differential cross-sections in momentum space for multiple ionization processes of atoms and molecules have been investigated by a multi-coincidence imaging technique, called COLTRIMS (cold target recoil ion momentum spectroscopy) (J. Phys. B 30 (1997) 2917; Nucl. Instrum. Methods B 108 (1996) 425; In: Ullrich, J., Shevelko, V.P. (Eds.), Many Particle Quantum Dynamics in Atomic Fragmentation, Series Atomic, Optical, and Plasma Physics, Vol. 35. Springer, Berlin, 2003; Phys. Rep. 330 (2000) 95). This technique is as powerful as the bubble chamber system in high-energy physics. It has opened a new observation window into the hidden world of many-particle dynamics: correlated many-particle dynamics in Coulombic systems can now be experimentally approached with unprecedented completeness and precision. The principle of the method, namely measuring the momentum of the emitted charged particles from an atomic or molecular fragmentation process, is as simple as determining the trajectory of a thrown stone. From knowing the position from where the stone was slung and where it hits the target, as well as measuring its time-of-flight, the trajectory of the stone and thus its initial velocity vector can be determined precisely. Furthermore, in order to achieve good precision we have to know whether the person, who throws the stone, was at rest in the frame of observation or with which relative velocity this person was moving. Thus, to obtain optimal momentum resolution for the exploding fragments one has to bring the fragmenting object to a complete rest in the frame of measurement before the reaction occurs, i.e. if the object is a gas atom or molecule one has to cool it down to sub-milli Kelvin temperatures.

  3. Validation of a qualitative screening method for pesticides in fruits and vegetables by gas chromatography quadrupole-time of flight mass spectrometry with atmospheric pressure chemical ionization.

    PubMed

    Portolés, T; Mol, J G J; Sancho, J V; López, Francisco J; Hernández, F

    2014-08-01

    A wide-scope screening method was developed for the detection of pesticides in fruit and vegetables. The method was based on gas chromatography coupled to a hybrid quadrupole time-of-flight mass spectrometer with an atmospheric pressure chemical ionization source (GC-(APCI)QTOF MS). A non-target acquisition was performed through two alternating scan events: one at low collision energy and another at a higher collision energy ramp (MS(E)). In this way, both protonated molecule and/or molecular ion together with fragment ions were obtained in a single run. Validation was performed according to SANCO/12571/2013 by analysing 20 samples (10 different commodities in duplicate), fortified with a test set of 132 pesticides at 0.01, 0.05 and 0.20mg kg(-1). For screening, the detection was based on one diagnostic ion (in most cases the protonated molecule). Overall, at the 0.01mg kg(-1) level, 89% of the 2620 fortifications made were detected. The screening detection limit for individual pesticides was 0.01mg kg(-1) for 77% of the pesticides investigated. The possibilities for identification according to the SANCO criteria, requiring two ions with a mass accuracy ≤±5ppm and an ion-ratio deviation ≤±30%, were investigated. At the 0.01mg kg(-1) level, identification was possible for 70% of the pesticides detected during screening. This increased to 87% and 93% at the 0.05 and 0.20mg kg(-1) level, respectively. Insufficient sensitivity for the second ion was the main reason for the inability to identify detected pesticides, followed by deviations in mass accuracy and ion ratios.

  4. Hydrophilic interaction liquid chromatography/positive ion electrospray ionization mass spectrometry method for the quantification of alprazolam and α-hydroxy-alprazolam in human plasma.

    PubMed

    Kalogria, Eleni; Pistos, Constantinos; Panderi, Irene

    2013-12-30

    A hydrophilic interaction liquid chromatography/positive ion electrospray-mass spectrometry (HILIC-ESI/MS) has been developed and fully validated for the quantification of alprazolam and its main metabolite, α-hydroxy-alprazolam, in human plasma. The assay is based on 50μL plasma samples, following liquid-liquid extraction. All analytes and the internal standard (tiamulin) were separated by hydrophilic interaction liquid chromatography using an X-Bridge-HILIC analytical column (150.0mm×2.1mm i.d., particle size 3.5μm) under isoscratic elution. The mobile phase was composed of a 7% 10mM ammonium formate water solution in acetonitrile and pumped at a flow rate of 0.20mLmin(-1). Running in positive electrospray ionization and selected ion monitoring (SIM) the mass spectrometer was set to analyze the protonated molecules [M+H](+) at m/z 309, 325 and 494 for alprazolam, α-hydroxy-alprazolam and tiamulin (ISTD) respectively. The assay was linear over the concentration range of 2.5-250ngmL(-1) for alprazolam and 2.5-50ngmL(-1) for α-hydroxy alprazolam. Intermediate precision was less than 4.1% over the tested concentration ranges. The method is the first reported application of HILIC in the analysis benzodiazepines in human plasma. With a small sample size (50μL human plasma) and a run time less than 10.0min for each sample the method can be used to support a wide range of clinical studies concerning alprazolam quantification.

  5. Clinical Performance of a Matrix-Assisted Laser Desorption Ionization-Time of Flight Mass Spectrometry Method for Detection of Certain blaKPC-Containing Plasmids.

    PubMed

    Youn, Jung-Ho; Drake, Steven K; Weingarten, Rebecca A; Frank, Karen M; Dekker, John P; Lau, Anna F

    2016-01-01

    Rapid detection of blaKPC-containing organisms can significantly impact infection control and clinical practices, as well as therapeutic choices. Current molecular and phenotypic methods to detect these organisms, however, require additional testing beyond routine organism identification. In this study, we evaluated the clinical performance of matrix-assisted laser desorption ionization-time of flight mass spectrometry (MALDI-TOF MS) to detect pKpQIL_p019 (p019)-an ∼11,109-Da protein associated with certain blaKPC-containing plasmids that was previously shown to successfully track a clonal outbreak of blaKPC-pKpQIL-Klebsiella pneumoniae in a proof-of-principle study (A. F. Lau, H. Wang, R. A. Weingarten, S. K. Drake, A. F. Suffredini, M. K. Garfield, Y. Chen, M. Gucek, J. H. Youn, F. Stock, H. Tso, J. DeLeo, J. J. Cimino, K. M. Frank, and J. P. Dekker, J Clin Microbiol 52:2804-2812, 2014, http://dx.doi.org/10.1128/JCM.00694-14). PCR for the p019 gene was used as the reference method. Here, blind analysis of 140 characterized Enterobacteriaceae isolates using two protein extraction methods (plate extraction and tube extraction) and two peak detection methods (manual and automated) showed sensitivities and specificities ranging from 96% to 100% and from 95% to 100%, respectively (2,520 spectra analyzed). Feasible laboratory implementation methods (plate extraction and automated analysis) demonstrated 96% sensitivity and 99% specificity. All p019-positive isolates (n = 26) contained blaKPC and were carbapenem resistant. Retrospective analysis of an additional 720 clinical Enterobacteriaceae spectra found an ∼11,109-Da signal in nine spectra (1.3%), including seven from p019-containing, carbapenem-resistant isolates (positive predictive value [PPV], 78%). Instrument tuning had a significant effect on assay sensitivity, highlighting important factors that must be considered as MALDI-TOF MS moves into applications beyond microbial identification. Using a large blind

  6. NERI PROJECT 99-119. TASK 1. ADVANCED CONTROL TOOLS AND METHODS. FINAL REPORT

    SciTech Connect

    March-Leuba, J.A.

    2002-09-09

    Nuclear plants of the 21st century will employ higher levels of automation and fault tolerance to increase availability, reduce accident risk, and lower operating costs. Key developments in control algorithms, fault diagnostics, fault tolerance, and communication in a distributed system are needed to implement the fully automated plant. Equally challenging will be integrating developments in separate information and control fields into a cohesive system, which collectively achieves the overall goals of improved performance, safety, reliability, maintainability, and cost-effectiveness. Under the Nuclear Energy Research Initiative (NERI), the U. S. Department of Energy is sponsoring a project to address some of the technical issues involved in meeting the long-range goal of 21st century reactor control systems. This project, ''A New Paradigm for Automated Development Of Highly Reliable Control Architectures For Future Nuclear Plants,'' involves researchers from Oak Ridge National Laboratory, University of Tennessee, and North Carolina State University. This paper documents a research effort to develop methods for automated generation of control systems that can be traced directly to the design requirements. Our final goal is to allow the designer to specify only high-level requirements and stress factors that the control system must survive (e.g. a list of transients, or a requirement to withstand a single failure.) To this end, the ''control engine'' automatically selects and validates control algorithms and parameters that are optimized to the current state of the plant, and that have been tested under the prescribed stress factors. The control engine then automatically generates the control software from validated algorithms. Examples of stress factors that the control system must ''survive'' are: transient events (e.g., set-point changes, or expected occurrences such a load rejection,) and postulated component failures. These stress factors are specified by the

  7. Charge exchange ionization in collision cells as a method to detect the presence of long-lived excited electronic states of polyatomic ions.

    PubMed

    Kwon, C H; Kim, M S; Choe, J C

    2001-10-01

    Charge exchange ionization in collision cells installed in a double focusing mass spectrometer with reversed geometry has been used to detect the presence of a long-lived excited electronic state of benzene ion. In particular, the first collision cell located between the ion source and the magnetic sector was modified to serve as an ion source for the reagent ion generated by charge exchange with the primary ion. Strong reagent ion signals were observed when the ionization energies of the reagents (1,3-C4H6, CS2, CH3Cl) were lower than the recombination energy (approximately 11.5 eV) of the excited state benzene ion, while the signals were negligible for reagents (CH3F,CH4) with higher ionization energy. The fact that a strong signal is observable only for electronically exoergic charge exchange is useful for detecting the presence of a long-lived electronically excited state.

  8. The development of a matrix-assisted laser desorption/ionization mass spectrometry-based method for the protein fingerprinting and identification of Aeromonas species using whole cells.

    PubMed

    Donohue, Maura J; Smallwood, Anthony W; Pfaller, Stacy; Rodgers, Mark; Shoemaker, Jody A

    2006-06-01

    This report describes the development of a method to detect the waterborne pathogen Aeromonas using matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS). The genus Aeromonas is one of several medically significant genera that have gained prominence due to their evolving taxonomy and controversial role in human diseases. In this study, MALDI-MS was applied to the characterization of seventeen species of Aeromonas. These seventeen species were represented by thirty-two strains, which included type, reference and clinical isolates. Intact cells from each strain were used to generate a reproducible library of protein mass spectral fingerprints or m/z signatures. Under the test conditions used, peak lists of the mass ions observed in each species revealed that three mass ions were conserved among all the seventeen species tested. These common mass ions having an average m/z of 6301, 12,160 or 12,254, and 13,450, can be potentially used as genus-specific biomarkers to identify Aeromonas in unknown samples. A dendrogram generated using the m/z signatures of all the strains tested indicated that the mass spectral data contained sufficient information to distinguish between genera, species, and strains. There are several advantages of using MALDI-MS based protein mass spectral fingerprinting of whole cells for the identification of microorganisms as well as for their differentiation at the sub-species level: (1) the capability to detect proteins, (2) high throughput, and (3) relatively simple sample preparation techniques. The accuracy and speed with which data can be obtained makes MALDI-MS a powerful tool especially suited for environmental monitoring and detection of biological hazards.

  9. Development of matrix-assisted laser desorption ionization-mass spectrometry imaging (MALDI-MSI) for plant metabolite analysis

    SciTech Connect

    Korte, Andrew R

    2014-12-01

    This thesis presents efforts to improve the methodology of matrix-assisted laser desorption ionization-mass spectrometry imaging (MALDI-MSI) as a method for analysis of metabolites from plant tissue samples. The first chapter consists of a general introduction to the technique of MALDI-MSI, and the sixth and final chapter provides a brief summary and an outlook on future work.

  10. The role of partial ionization effects in the chromosphere

    PubMed Central

    Martínez-Sykora, Juan; De Pontieu, Bart; Hansteen, Viggo; Carlsson, Mats

    2015-01-01

    The energy for the coronal heating must be provided from the convection zone. However, the amount and the method by which this energy is transferred into the corona depend on the properties of the lower atmosphere and the corona itself. We review: (i) how the energy could be built in the lower solar atmosphere, (ii) how this energy is transferred through the solar atmosphere, and (iii) how the energy is finally dissipated in the chromosphere and/or corona. Any mechanism of energy transport has to deal with the various physical processes in the lower atmosphere. We will focus on a physical process that seems to be highly important in the chromosphere and not deeply studied until recently: the ion–neutral interaction effects in the chromosphere. We review the relevance and the role of the partial ionization in the chromosphere and show that this process actually impacts considerably the outer solar atmosphere. We include analysis of our 2.5D radiative magnetohydrodynamic simulations with the Bifrost code (Gudiksen et al. 2011 Astron. Astrophys. 531, A154 (doi:10.1051/0004-6361/201116520)) including the partial ionization effects on the chromosphere and corona and thermal conduction along magnetic field lines. The photosphere, chromosphere and transition region are partially ionized and the interaction between ionized particles and neutral particles has important consequences on the magneto-thermodynamics of these layers. The partial ionization effects are treated using generalized Ohm's law, i.e. we consider the Hall term and the ambipolar diffusion (Pedersen dissipation) in the induction equation. The interaction between the different species affects the modelled atmosphere as follows: (i) the ambipolar diffusion dissipates magnetic energy and increases the minimum temperature in the chromosphere and (ii) the upper chromosphere may get heated and expanded over a greater range of heights. These processes reveal appreciable differences between the modelled

  11. The role of partial ionization effects in the chromosphere.

    PubMed

    Martínez-Sykora, Juan; De Pontieu, Bart; Hansteen, Viggo; Carlsson, Mats

    2015-05-28

    The energy for the coronal heating must be provided from the convection zone. However, the amount and the method by which this energy is transferred into the corona depend on the properties of the lower atmosphere and the corona itself. We review: (i) how the energy could be built in the lower solar atmosphere, (ii) how this energy is transferred through the solar atmosphere, and (iii) how the energy is finally dissipated in the chromosphere and/or corona. Any mechanism of energy transport has to deal with the various physical processes in the lower atmosphere. We will focus on a physical process that seems to be highly important in the chromosphere and not deeply studied until recently: the ion-neutral interaction effects in the chromosphere. We review the relevance and the role of the partial ionization in the chromosphere and show that this process actually impacts considerably the outer solar atmosphere. We include analysis of our 2.5D radiative magnetohydrodynamic simulations with the Bifrost code (Gudiksen et al. 2011 Astron. Astrophys. 531, A154 (doi:10.1051/0004-6361/201116520)) including the partial ionization effects on the chromosphere and corona and thermal conduction along magnetic field lines. The photosphere, chromosphere and transition region are partially ionized and the interaction between ionized particles and neutral particles has important consequences on the magneto-thermodynamics of these layers. The partial ionization effects are treated using generalized Ohm's law, i.e. we consider the Hall term and the ambipolar diffusion (Pedersen dissipation) in the induction equation. The interaction between the different species affects the modelled atmosphere as follows: (i) the ambipolar diffusion dissipates magnetic energy and increases the minimum temperature in the chromosphere and (ii) the upper chromosphere may get heated and expanded over a greater range of heights. These processes reveal appreciable differences between the modelled atmospheres

  12. Influence of the geometrical detail in the description of DNA and the scoring method of ionization clustering on nanodosimetric parameters of track structure: a Monte Carlo study using Geant4-DNA.

    PubMed

    Bueno, M; Schulte, R; Meylan, S; Villagrasa, C

    2015-11-07

    clusters with v≥3 (f3) within statistical variations, independently of particle type. In order to obtain ionization cluster size distributions relevant for biological DNA lesions, the complex DNA geometry and a scoring method without fixed boundaries should be preferred to the simple cylindrical geometry with a fixed scoring volume.

  13. Influence of the geometrical detail in the description of DNA and the scoring method of ionization clustering on nanodosimetric parameters of track structure: a Monte Carlo study using Geant4-DNA

    NASA Astrophysics Data System (ADS)

    Bueno, M.; Schulte, R.; Meylan, S.; Villagrasa, C.

    2015-11-01

    between m1 and the cumulative relative frequency of clusters with ν ≥slant 3 (f3) within statistical variations, independently of particle type. In order to obtain ionization cluster size distributions relevant for biological DNA lesions, the complex DNA geometry and a scoring method without fixed boundaries should be preferred to the simple cylindrical geometry with a fixed scoring volume.

  14. A multi-residue method for pesticides analysis in green coffee beans using gas chromatography-negative chemical ionization mass spectrometry in selective ion monitoring mode.

    PubMed

    Pizzutti, Ionara R; de Kok, Andre; Dickow Cardoso, Carmem; Reichert, Bárbara; de Kroon, Marijke; Wind, Wouter; Weber Righi, Laís; Caiel da Silva, Rosselei

    2012-08-17

    In this study, a new gas chromatography-mass spectrometry (GC-MS) method, using the very selective negative chemical ionization (NCI) mode, was developed and applied in combination with a modified acetonitrile-based extraction method (QuEChERS) for the analysis of a large number of pesticide residues (51 pesticides, including isomers and degradation products) in green coffee beans. A previously developed integrated sample homogenization and extraction method for both pesticides and mycotoxins analysis was used. An homogeneous slurry of green milled coffee beans and water (ratio 1:4, w/w) was prepared and extracted with acetonitrile/acetic acid (1%), followed by magnesium sulfate addition for phase separation. Aliquots from this extract could be used directly for LC-MS/MS analysis of mycotoxins and LC-amenable pesticides. For GC-MS analysis, a further clean-up was necessary. C18- and PSA-bonded silica were tested as dispersive solid-phase extraction (d-SPE) sorbents, separate and as a mixture, and the best results were obtained using C18-bonded silica. For the optimal sensitivity and selectivity, GC-MS detection in the NCI-selected ion monitoring (SIM) mode had to be used to allow the fast analysis of the difficult coffee bean matrix. The validation was performed by analyzing recovery samples at three different spike concentrations, 10, 20 and 50 μg kg(-1), with 6 replicates (n=6) at each concentration. Linearity (r(2)) of calibration curves, estimated instrument and method limits of detection and limits of quantification (LOD(i), LOD(m), LOQ(i) and LOQ(m), respectively), accuracy (as recovery %), precision (as RSD%) and matrix effects (%) were determined for each individual pesticide. From the 51 analytes (42 parent pesticides, 4 isomers and 5 degradation products) determined by GC-MS (NCI-SIM), approximately 76% showed average recoveries between 70-120% and 75% and RSD ≤ 20% at the lowest spike concentration of 10 μg kg(-1), the target method LOQ. For the

  15. Systematic Process Synthesis and Design Methods for Cost Effective Waste Minimization. Final report

    SciTech Connect

    Biegler, L.T.; Grossmann, I.E.; Westerberg, A.W.

    1998-02-14

    This report focuses on research done over the past four years under the grant with the above title. In addition, the report also includes a brief summary of work done before 1994 under grant DOE-DE-FG02-85ER13396. Finally, a complete list of publications that acknowledge support from this grant is listed at the end.

  16. Advanced Thin Ionization Calorimeter (ATIC)

    NASA Technical Reports Server (NTRS)

    Wefel, John P.

    1998-01-01

    This is the final report for NASA grant NAGW-4577, "Advanced Thin Ionization Calorimeter (ATIC)". This grant covered a joint project between LSU and the University of Maryland for a Concept Study of a new type of fully active calorimeter to be used to measure the energy spectra of very high energy cosmic rays, particularly Hydrogen and Helium, to beyond 1014 eV. This very high energy region has been studied with emulsion chamber techniques, but never investigated with electronic calorimeters. Technology had advanced to the point that a fully active calorimeter based upon Bismuth Germanate (BGO) scintillating crystals appeared feasible for balloon flight (and eventually space) experiments.

  17. Unambiguous ionization amplitudes for electron-hydrogen scattering

    SciTech Connect

    Bartlett, P. L.; Bray, I.; Jones, S.; Stelbovics, A. T.; Kadyrov, A. S.; Bartschat, K.; Ver Steeg, G. L.; Scott, M. P.; Burke, P. G.

    2003-08-01

    According to quantum collision theory, scattering amplitudes are complex numbers, which are completely defined by their magnitude and phase. Although the phase information is generally not determined entirely in collision experiments, the phases are well defined and can be used to check computational models. We use four state-of-the-art approaches to calculate the magnitude and phase of the electron-hydrogen ionization amplitude in the Temkin-Poet S-wave model. We demonstrate that the correct phase can be extracted for each method by using the appropriate final-state continuum functions.

  18. DOE-energy related inventions program: [Develop method to treat industrial powders]. Final report

    SciTech Connect

    Kemp, W.E.

    1998-05-13

    In a Mechanical Fluidized Vacuum machine a horizontally disposed retort is two-thirds filled with material and rotated at a speed that keeps the material in a fluidized state. The objective of this project was to build and demonstrate a machine to thermally treat up to 600 kg lots of metal and cermet powders to temperatures of 940C with low energy cost and environmental impact. Quantification tests of many powders were conducted, design machine modification was done to expand the basic machine, a retort was constructed and prepared, and performance trials were made on the final machine. Final tests were conducted on a retort measuring 22 inches in diameter and 30 inches long. Operating cost data are presented.

  19. Biological Effects of Ionizing Radiation

    DOE R&D Accomplishments Database

    Ingram, M.; Mason, W. B.; Whipple, G. H.; Howland, J. W.

    1952-04-07

    This report presents a review of present knowledge and concepts of the biological effects of ionizing radiations. Among the topics discussed are the physical and chemical effects of ionizing radiation on biological systems, morphological and physiological changes observed in biological systems subjected to ionizing radiations, physiological changes in the intact animal, latent changes following exposure of biological systems to ionizing radiations, factors influencing the biological response to ionizing radiation, relative effects of various ionizing radiations, and biological dosimetry.

  20. Method for determining trace quantities of chloride in polymeric materials using ion selective electrodes: Final report

    SciTech Connect

    Salary, J.

    1987-02-01

    A method for determining trace quantities of chloride in polymeric materials has been developed. Ion-selective electrodes and the standard addition method were used in all the analyses. The ion-selective electrode method was compared with neutron activation, ion chromatography and chloridometer titration. The ion-selective electrode technique results for chloride were similar to those of neutron activation, which is the acknowledged referee method. This ion-selective electrode method showed the highest standard recovery when compared with the ion chromatography and chloridometer titration methods.

  1. Charged-Particle Impact Ionization of Atoms

    SciTech Connect

    Bartschat, Klaus; Guan Xiaoxu

    2008-08-08

    We have developed a hybrid method to treat charged-particle impact ionization of complex atoms and ions. The essential idea is to describe the interaction between a fast projectile and the target perturbatively, up to second order, while the initial bound state and the ejected-electron--residual-ion interaction can be handled via a convergent R-matrix with pseudo-states (close-coupling) expansion. Example results for ionization of the heavy noble gases (Ne-Xe) by positron and electron impact are presented. The general scheme for a distorted-wave treatment of ionization by heavy-particle impact is described.

  2. Improved vehicle occupancy data collection methods. Final report, 1994--1997

    SciTech Connect

    Heidtman, K.; Skarpness, B.; Tornow, C.

    1997-12-31

    The report evaluates current and emerging vehicle occupancy data collection methodologies. Five primary methods for collecting vehicle occupancy data were identified: the traditional roadside/windshield observation method, a recently developed carousel observational method, photographic surveillance, mail-out or telephone surveys, and accident database extraction method. The findings show that other methods besides the traditional windshield method may be advantageous for collecting vehicle occupancy information. The key factors in selecting a collection method are the conditions under which vehicle occupancy is to be estimated. For example, the accident method and mail-out surveys are well suited for developing regional vehicle occupancy estimates, while the windshield method and carousel method are well suited for corridor-specific estimates. Another key finding, which impact the selection of a method and sampling period, is the fact that average vehicle occupancy estimates vary significantly by time-of-day, day-of-week, and month-of-year. The implications of this finding is that agencies cannot continue to infer yearly AVO estimates from data collected during a limited time period such as the morning rush hour period. Recommendations for selecting and implementing a vehicle occupancy data collection method are also provided.

  3. Equation of motion coupled cluster methods for electron attachment and ionization potential in fullerenes C{sub 60} and C{sub 70}

    SciTech Connect

    Bhaskaran-Nair, Kiran; Kowalski, Karol; Moreno, Juana; Jarrell, Mark; Shelton, William A.

    2014-08-21

    In both molecular and periodic solid-state systems there is a need for the accurate determination of the ionization potential and the electron affinity for systems ranging from light harvesting polymers and photocatalytic compounds to semiconductors. The development of a Green's function approach based on the coupled cluster (CC) formalism would be a valuable tool for addressing many properties involving many-body interactions along with their associated correlation functions. As a first step in this direction, we have developed an accurate and parallel efficient approach based on the equation of motion-CC technique. To demonstrate the high degree of accuracy and numerical efficiency of our approach we calculate the ionization potential and electron affinity for C{sub 60} and C{sub 70}. Accurate predictions for these molecules are well beyond traditional molecular scale studies. We compare our results with experiments and both quantum Monte Carlo and GW calculations.

  4. Comparison of three prospective analytical methods for benzene analysis in jet-fuel environments. Final report

    SciTech Connect

    Hossain, M.A.

    1990-08-01

    Accurate analysis of benzene in jet fuel has been a concern over the past several years. The method we have been using to analyze benzene in jet fuel is the NIOSH 1501 method, a method specifically designed for aromatic hydrocarbons including benzene. However, the method is not designed for analysis of benzene in jet fuel environments. At the present time there is no approved (either by NIOSH or OSHA) method for analysis of benzene in fuel environments. At the request of HQ AAC/SGPB, we recently conducted a study to compare three prospective analytical methods (NIOSH method 1501 (GC/FID wtih packed column) modified NIOSH 1501 method (GC/FID with capillary column), and High Pressure Liquid Chromatography with Ultraviolet Detection (HPLC/UV)). In this study spiked charcoal tube samples as well as air samples of known concentrations of benzene in JP-4 and Stoddard Solvents were analyzed by all three methods. The test results showed that modified NIOSH 1501 and HPLC methods had good correlation between spiked and measured amount of benzene in JP-4 and Stoddard Solvent mixtures. The NIOSH 1501 method utilizing packed column over estimated the test benzene concentration indicating positive interference from other hydrocarbons present in JP 4 and Stoddard Solvents.

  5. Fundamentals of ambient metastable-induced chemical ionization mass spectrometry and atmospheric pressure ion mobility spectrometry

    NASA Astrophysics Data System (ADS)

    Harris, Glenn A.

    Molecular ionization is owed much of its development from the early implementation of electron ionization (EI). Although dramatically increasing the library of compounds discovered, an inherent problem with EI was the low abundance of molecular ions detected due to high fragmentation leading to the difficult task of the correct chemical identification after mass spectrometry (MS). These problems stimulated the research into new ionization methods which sought to "soften" the ionization process. In the late 1980s the advancements of ionization techniques was thought to have reached its pinnacle with both electrospray ionization (ESI) and matrix-assisted laser desorption/ionization (MALDI). Both ionization techniques allowed for "soft" ionization of large molecular weight and/or labile compounds for intact characterization by MS. Albeit pervasive, neither ESI nor MALDI can be viewed as "magic bullet" ionization techniques. Both techniques require sample preparation which often included native sample destruction, and operation of these techniques took place in sealed enclosures and often, reduced pressure conditions. New open-air ionization techniques termed "ambient MS" enable direct analysis of samples of various physical states, sizes and shapes. One particular technique named Direct Analysis In Real Time (DART) has been steadily growing as one of the ambient tools of choice to ionize small molecular weight (< 1000 Da) molecules with a wide range of polarities. Although there is a large list of reported applications using DART as an ionization source, there have not been many studies investigating the fundamental properties of DART desorption and ionization mechanisms. The work presented in this thesis is aimed to provide in depth findings on the physicochemical phenomena during open-air DART desorption and ionization MS and current application developments. A review of recent ambient plasma-based desorption/ionization techniques for analytical MS is presented in

  6. Development of convective testing methods for low-rise multifamily buildings. Final report

    SciTech Connect

    Stiles, M.R.

    1996-08-01

    This report describes convective testing methods and protocols developed for use in weatherizing low-rise multifamily buildings. The methods can lead to controlling internal air movement and preventing leakage to the exterior by estimating magnitudes of air leakage pathways in garden and town house apartments. The 4 methods cited are: After-a-Retrofit; Equivalent Interfaces; Open-a-Door; and Add-a-Pathway. It is found that, because of modern interior finishing practices, convective problems tend to be more associated with indoor air quality than loss of space conditioning energy. The After-a-Retrofit method is the easiest to integrate into current diagnostic practices. In some cases, the Equivalent Interfaces method may be used on a production basis. The methods are an advance on current field practices that do not quantify the leakage pathways and research practices that require extensive equipment.

  7. Sub-cycle dynamics of multiphoton ionization

    NASA Astrophysics Data System (ADS)

    Telnov, Dmitry A.; Nasiri Avanaki, K.; Chu, Shih-I.

    2014-05-01

    Sub-cycle oscillatory structures are revealed in calculated time-dependent multiphoton ionization rates. Both atomic and molecular targets manifest multiple ionization bursts per one optical cycle of the laser field. Using the accurate and efficient time-dependent generalized pseudospectral method to solve the time-dependent Schrödinger equation, we have performed calculations on H, He+, H2+,and HHe2+, for the laser fields with several intensities and wavelengths in the near-infrared range (750 nm to 1064 nm). The sub-cycle structures appear a universal feature of multiphoton ionization and become well pronounced for sufficiently strong laser fields depending on the target atom or molecule. Analysis of the electron density distributions on the sub-femtosecond time scale shows several time moments per optical cycle (not necessarily corresponding to the peak values of the laser field) when significant portions of the electron density move away from the nucleus giving rise to the bursts in the ionization rate. The nature of the phenomenon can be related to ionization through different pathways, including direct ionization as well as population of the excited states by the laser field with subsequent ionization at later times. This work is partially supported by DOE.

  8. Electron ionization of acetylene.

    PubMed

    King, Simon J; Price, Stephen D

    2007-11-07

    Relative partial ionization cross sections and precursor specific relative partial ionization cross sections for fragment ions formed by electron ionization of C2H2 have been measured using time-of-flight mass spectrometry coupled with a 2D ion-ion coincidence technique. We report data for the formation of H+, H+2, C2+, C+/C2+ 2, CH+/C2H+2, CH+2, C+2, and C2H+ relative to the formation of C2H+2, as a function of ionizing electron energy from 30-200 eV. While excellent agreement is found between our data and one set of previously published absolute partial ionization cross sections, some discrepancies exist between the results presented here and two other recent determinations of these absolute partial ionization cross sections. We attribute these differences to the loss of some translationally energetic fragment ions in these earlier studies. Our relative precursor-specific partial ionization cross sections enable us, for the first time, to quantify the contribution to the yield of each fragment ion from single, double, and triple ionization. Analysis shows that at 50 eV double ionization contributes 2% to the total ion yield, increasing to over 10% at an ionizing energy of 100 eV. From our ion-ion coincidence data, we have derived branching ratios for charge separating dissociations of the acetylene dication. Comparison of our data to recent ab initio/RRKM calculations suggest that close to the double ionization potential C2H2+2 dissociates predominantly on the ground triplet potential energy surface (3Sigma*g) with a much smaller contribution from dissociation via the lowest singlet potential energy surface (1Delta g). Measurements of the kinetic energy released in the fragmentation reactions of C2H2+2 have been used to obtain precursor state energies for the formation of product ion pairs, and are shown to be in good agreement with available experimental data and with theory.

  9. Development of the residential case-specular epidemiologic investigation method. Final report

    SciTech Connect

    Zaffanella, L.E.; Savitz, D.A.

    1995-11-01

    The residential case-specular method is an innovative approach to epidemiologic studies of the association between wire codes and childhood cancer. This project was designed to further the development of the residential case-specular method, which seeks to help resolve the ``wire code paradox``. For years, wire codes have been used as surrogate measures of past electric and magnetic field (EMF) exposure. There is a magnetic field hypothesis that suggests childhood cancer is associated with exposure to magnetic fields, with wire codes as a proxy for these fields. The neighborhood hypothesis suggests that childhood cancer is associated with neighborhood characteristics and exposures other than magnetic fields, with wire codes as a proxy for these characteristics and exposures. The residential case-specular method was designed to discriminate between the magnetic field and the neighborhood hypothesis. Two methods were developed for determining the specular of a residence. These methods were tested with 400 randomly selected residences. The main advantage of the residential case-specular method is that it may efficiently confirm or eliminate the suspicion that control selection bias or confounding by neighborhood factors affected the results of case-control studies of childhood cancer and magnetic fields. The method may be applicable to both past and ongoing studies. The main disadvantage is that the method is untried. Consequently, further work is required to verify its validity and to ensure that sufficient statistical power can be obtained in a cost-effective manner.

  10. A final report on the extension of the MCSCF/CI method

    NASA Technical Reports Server (NTRS)

    Nelin, C. J.

    1984-01-01

    For the period of July 1982 through January 1983, the research carried out focused on the nature of metal adsorbate bonding. Two main areas were investigated in detail: (1) the adsorption of CO on Al, Na, Mg and Ni; and (2) bonding in transition metal oxides, CuO, CrO and MoO. These theoretical studies have lead to a new understanding of CO-metal bonding as well as to a better understanding of the d involvement in the bonding in transition metal oxides. Four areas associated with cluster model studies are discussed in detail: hybridization and changing in cluster model studies, the adsorption of CO on metals (Al, Na, Mg), the adsorption of CO on Ni, and finally the use of effective core potentials (ECP) in cluster models.

  11. Geothermal reservoir assessment based on slim hole drilling. Volume 1, Analytical Method: Final report

    SciTech Connect

    Olson, H.J.

    1993-12-01

    The Hawaii Scientific Observation Hole (SOH) program was supplied by the State of Hawaii to drill six, 4,000 foot scientific observation holes on Maui and the Big Island of Hawaii to confirm and stimulate geothermal, resource development in Hawaii. After a lengthy permitting process, three SOHs, totaling 18,890 feet of mostly core drilling were finally drilled along the Kilauea East Rift Zone (KERZ) in the Puna district on the Big Island. The SOH program was highly successful in meeting the highly restrictive permitting conditions imposed on the program, and in developing slim hole drilling techniques, establishing subsurface geological conditions, and initiating an assessment and characterization of the geothermal resources potential of Hawaii - even though permitting specifically prohibited pumping or flowing the holes to obtain data of subsurface fluid conditions. The first hole, SOH-4, reached a depth of 2,000 meters, recorded a bottom hole temperature of 306.1 C, and established subsurface thermal continuity along the KERZ between the HGP-A and the True/Mid-Pacific Geothermal Venture wells. Although evidence of fossil reservoir conditions were encountered, no zones with obvious reservoir potential were found. The second hole SOH-1, was drilled to a depth of 1,684 meters, recorded a bottom hole temperature of 206.1 C, effectively doubled the size of the Hawaii Geothermal Project -- Abbott/Puna Geothermal Venture (HGP-A/PGV) proven/probable reservoir, and defined the northern limit of the HGP-A/PGV reservoir. The final hole, SOH-2, was drilled to a depth of 2,073 meters, recorded a bottom hole temperature of 350.5 C, and has sufficient indicated permeability to be designated as a potential ''discovery.''

  12. Alkali metal ionization detector

    DOEpatents

    Bauerle, James E.; Reed, William H.; Berkey, Edgar

    1978-01-01

    Variations in the conventional filament and collector electrodes of an alkali metal ionization detector, including the substitution of helical electrode configurations for either the conventional wire filament or flat plate collector; or, the substitution of a plurality of discrete filament electrodes providing an in situ capability for transferring from an operationally defective filament electrode to a previously unused filament electrode without removing the alkali metal ionization detector from the monitored environment. In particular, the helical collector arrangement which is coaxially disposed about the filament electrode, i.e. the thermal ionizer, provides an improved collection of positive ions developed by the filament electrode. The helical filament design, on the other hand, provides the advantage of an increased surface area for ionization of alkali metal-bearing species in a monitored gas environment as well as providing a relatively strong electric field for collecting the ions at the collector electrode about which the helical filament electrode is coaxially positioned. Alternatively, both the filament and collector electrodes can be helical. Furthermore, the operation of the conventional alkali metal ionization detector as a leak detector can be simplified as to cost and complexity, by operating the detector at a reduced collector potential while maintaining the sensitivity of the alkali metal ionization detector adequate for the relatively low concentration of alkali vapor and aerosol typically encountered in leak detection applications.

  13. "Magic" Ionization Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    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.

  14. "Magic" Ionization Mass Spectrometry.

    PubMed

    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.

  15. Two- and three-photon double ionization of lithium

    NASA Astrophysics Data System (ADS)

    Armstrong, G.; Schuricke, M.; Veeravalli, G.; Dornes, Ch.; Zhu, G.; Joachimsmeyer, K.; Treusch, R.; Dorn, A.; Colgan, J.

    2012-06-01

    Motivated by current FEL experiments at FLASH, we present triple differential cross sections and recoil ion momentum distributions for two- and three-photon double ionization of the 1s^22s ^2S ground state of lithium at a photon energy of 50 eV. The time-dependent close-coupling (TDCC) method is used to solve the two-electron time-dependent Schr"odinger equation in full dimensionality. The double ionization process is treated as a two-active-electron process, where the ``active'' 1s and 2s electrons move in the field of the ``frozen-core'' Li^2+ 1s state. Recent experimental measurements of recoil ion momentum distributions have observed features associated with the absorption of both two and three photons. This work provides the first TDCC calculations to date of such two- and three-photon double ionization processes in lithium. The accurate treatment of these processes requires a detailed description of the final continuum containing both singlet and triplet S, P, D and F waves. We examine triple differential cross sections as a function of electron energy sharing for a variety of angular configurations. We also compare our calculated recoil ion momentum distributions with experimental measurements, providing the first such comparison for two- and three-photon processes.

  16. SRC-I demonstration plant analytical laboratory methods manual. Final technical report

    SciTech Connect

    Klusaritz, M.L.; Tewari, K.C.; Tiedge, W.F.; Skinner, R.W.; Znaimer, S.

    1983-03-01

    This manual is a compilation of analytical procedures required for operation of a Solvent-Refined Coal (SRC-I) demonstration or commercial plant. Each method reproduced in full includes a detailed procedure, a list of equipment and reagents, safety precautions, and, where possible, a precision statement. Procedures for the laboratory's environmental and industrial hygiene modules are not included. Required American Society for Testing and Materials (ASTM) methods are cited, and ICRC's suggested modifications to these methods for handling coal-derived products are provided.

  17. Advanced computational methods for nodal diffusion, Monte Carlo, and S{sub n} problems. Final Report

    SciTech Connect

    1994-12-31

    The work addresses basic computational difficulties that arise in the numerical simulation of neutral particle radiation transport: discretized radiation transport problems, iterative methods, selection of parameters, and extension of current algorithms.

  18. Final Technical Report [Scalable methods for electronic excitations and optical responses of nanostructures: mathematics to algorithms to observables

    SciTech Connect

    Saad, Yousef

    2014-03-19

    The master project under which this work is funded had as its main objective to develop computational methods for modeling electronic excited-state and optical properties of various nanostructures. The specific goals of the computer science group were primarily to develop effective numerical algorithms in Density Functional Theory (DFT) and Time Dependent Density Functional Theory (TDDFT). There were essentially four distinct stated objectives. The first objective was to study and develop effective numerical algorithms for solving large eigenvalue problems such as those that arise in Density Functional Theory (DFT) methods. The second objective was to explore so-called linear scaling methods or Methods that avoid diagonalization. The third was to develop effective approaches for Time-Dependent DFT (TDDFT). Our fourth and final objective was to examine effective solution strategies for other problems in electronic excitations, such as the GW/Bethe-Salpeter method, and quantum transport problems.

  19. Quantum mechanical calculations related to ionization and charge transfer in DNA

    NASA Astrophysics Data System (ADS)

    Cauët, E.; Valiev, M.; Weare, J. H.; Liévin, J.

    2012-07-01

    Ionization and charge migration in DNA play crucial roles in mechanisms of DNA damage caused by ionizing radiation, oxidizing agents and photo-irradiation. Therefore, an evaluation of the ionization properties of the DNA bases is central to the full interpretation and understanding of the elementary reactive processes that occur at the molecular level during the initial exposure and afterwards. Ab initio quantum mechanical (QM) methods have been successful in providing highly accurate evaluations of key parameters, such as ionization energies (IE) of DNA bases. Hence, in this study, we performed high-level QM calculations to characterize the molecular energy levels and potential energy surfaces, which shed light on ionization and charge migration between DNA bases. In particular, we examined the IEs of guanine, the most easily oxidized base, isolated and embedded in base clusters, and investigated the mechanism of charge migration over two and three stacked guanines. The IE of guanine in the human telomere sequence has also been evaluated. We report a simple molecular orbital analysis to explain how modifications in the base sequence are expected to change the efficiency of the sequence as a hole trap. Finally, the application of a hybrid approach combining quantum mechanics with molecular mechanics brings an interesting discussion as to how the native aqueous DNA environment affects the IE threshold of nucleobases.

  20. A physical model for the acousto-ultrasonic method. Ph.D. Thesis Final Report

    NASA Technical Reports Server (NTRS)

    Kiernan, Michael T.; Duke, John C., Jr.

    1990-01-01

    A basic physical explanation, a model, and comments on NDE application of the acousto-ultrasonic (AU) method for composite materials are presented. The basis of this work is a set of experiments where a sending and a receiving piezoelectric transducer were both oriented normal to the surface, at different points, on aluminum plates, various composite plates, and a tapered aluminum plate. The purpose and basic idea is introduced. Also, general comments on the AU method are offered. A literature review is offered for areas pertinent, such as composite materials, wave propagation, ultrasonics, and the AU. Special emphasis is given to theory which is used later on and past experimental results that are important to the physical understanding of the AU method. The experimental set-up, procedure, and the ensuing analysis are described. The experimental results are presented in both a quantitative and qualitative manner. A physical understanding of experimental results based on elasticity solution is furnished. Modeling and applications of the AU method is discussed for composite material and general conclusions are stated. The physical model of the AU method for composite materials is offered, something which has been much needed and sorely lacking. This physical understanding is possible due to the extensive set of experimental measurements, also reported.

  1. Basic theory and methods of dosimetry for use in risk assessment of genotoxic chemicals. Final report

    SciTech Connect

    Ehrenberg, L.; Granath, F.

    1992-12-31

    This project is designed to be theoretical, with limited experimental input. The work then would have to be directed towards an identification of problems, with an emphasis on the potential ability of molecular/biochemical methods to reach a solution, rather than aiming at solutions of the problems. In addition, the work is dependent on experimental work within parallel projects. Initially, projects running at this laboratory were strongly tied up with practical matters, such as the development of monitoring methods for specific exposures, with limited resources for basic research. As sketched in the scientific report below, section 4 the meaningfulness of molecular/biochemical methods and their potential contribution to the problem of dsk estimation has to be seen against a broad overview of this problem and current efforts to solve it. This overview, given as a brief summary in section 3, shows the necessity of combining different fields of research, holding them together by strictly quantitative aspects.

  2. Instantaneous and continuous measurement of /sup 14/C-labeled substrate oxidation to /sup 14/CO2 by minute tissue specimens: an ionization chamber method

    SciTech Connect

    Davidson, W.D.; Klein, K.L.; Kurokawa, K.; Soll, A.H.

    1981-06-01

    The vibrating reed electrometer and ionization chamber have been adapted for the instantaneous and continuous measurement of /sup 14/C-labeled substrate oxidation to /sup 14/CO2 by minute quantities of isolated tissues. This modified technique, utilizing a ''closed'' circulation incubation system, is 10-50 times as sensitive as the previously described ''open'' circulation techniques. Substrate oxidation curves are described for human erythrocytes and polymorphonuclear leucocytes, canine parietal cells and isolated segments of the rat nephron. This apparatus should prove to be a useful tool for metabolic studies of small quantities of isolated tissue.

  3. Laboratory testing of geomembrane for waste containment EPA Method 9090, March 1995. Final report

    SciTech Connect

    Whitlock, R.W.

    1995-05-15

    This report describes the work performed by TRI/Environmental, Inc. (TRI) to determine the chemical compatibility of one geomembrane and one seamed geomembrane with four synthetically generated leachates. The objective was to determine the resistance of the geomembrane to changes caused by exposure to the leachates. Changes in physical and mechanical properties were measured after exposure to the leachates at 23 C and 50 C for 30, 60, 90 and 120 days. Exposures were performed in accordance with the exposure regimen specified in US Environmental Protection Agency (EPA) Method 9090A. Methods, results and discussion are provided. Test results are also provided in the Tables of Results which accompany this report.

  4. Development of low-energy methods for production of lime. Draft final report

    SciTech Connect

    Mallow, W.A.; Dziuk, J.J.; Daugherty, K.E.; Safa, A.

    1981-03-31

    Possible methods of reducing the fuel and energy requirements in the production of lime were identified. Four basic concepts were explored in pursuit of a viable method to improve the energy efficiency of lime manufacture: (1) enzymatic catalysis; (2) conversion by Lewis acids in protolytic solvents; (3) attrition grinding/frictional calcination; and (4) catalyzed calcination. The concept which proved most encouraging and which appears to be readily adaptable to current practice emerged with the discovery of the Fused Salt catalysts, which can be introduced with pulverized limestone in a furnace process similar to those commercially used today.

  5. Final Report on Subcontract B605152. Multigrid Methods for Systems of PDEs

    SciTech Connect

    Brannick, James; Xu, Jinchao

    2015-07-07

    The project team has continued with work on developing aggressive coarsening techniques for AMG methods. Of particular interest is the idea to use aggressive coarsening with polynomial smoothing. Using local Fourier analysis the optimal values for the parameters involved in defining the polynomial smoothers are determined automatically in a way to achieve fast convergence of cycles with aggressive coarsening. Numerical tests have the sharpness of the theoretical results. The methods are highly parallelizable and efficient multigrid algorithms on structured and semistructured grids in two and three spatial dimensions.

  6. Ionization and positronium formation in noble gases

    SciTech Connect

    Marler, J.P.; Sullivan, J.P.; Surko, C.M.

    2005-02-01

    Absolute measurements are presented for the positron-impact cross sections for direct ionization and positronium formation of noble gas atoms in the range of energies from threshold to 90 eV. The experiment uses a cold, trap-based positron beam and the technique of studying positron scattering in a strong magnetic field. The current data show generally good, quantitative agreement with previous measurements taken using a qualitatively different method. However, significant differences in the cross sections for both direct ionization and positronium formation are also observed. An analysis is presented that yields another, independent measurement of the direct ionization and positronium formation cross sections that is in agreement with the present, direct measurements to within {+-}10% for argon, krypton, and xenon. Comparison with available theoretical predictions yields good quantitative agreement for direct ionization cross sections, and qualitative agreement in the case of positronium formation.

  7. XFEM: Exploratory Research into the Extended Finite-Element Method, FY02 LDRD Final Report

    SciTech Connect

    MISH, K

    2003-02-26

    This report is one of two components, the first an overview document outlining the goals and results of the XFEM LDRD project, and the other (titled ''Structured Extended Finite Element Methods of Solids defined by Implicit Surfaces'') detailing the scientific advances developed under FY01/FY02 LDRD funding. The XFEM (Extended Finite-Element Method) Engineering LDRD/ER Project was motivated by three research and development goals: (1) the extensions of standard finite-element technology into important new research venues of interest to the Engineering Directorate, (2) the automation of much of the engineering analysis workflow, so as to improve the productivity of mesh-generation and problem setup processes, and (3) the development of scalable software tools to facilitate innovation in XFEM analysis and methods development. The driving principle behind this LDRD project was to demonstrate the computational technology required to perform mechanical analysis of complex solids, with minimal extra effort required on the part of mechanical analysts. This need arises both from the growing workload of LLNL analysts in problem setup and mesh generation, and from the requirement that actual as-built mechanical configurations be analyzed. Many of the most important programmatic drivers for mechanical analysis require that the actual (e.g., deformed, aged, damaged) geometric configuration of the solid be deduced and then accurately modeled: for this programmatic need, XFEM provides one of the only accurate methods available that can provide high-fidelity results.

  8. A Study of Method in Language and Culture Research; Phase II: Textual Analysis. Final Report.

    ERIC Educational Resources Information Center

    California State Univ. Foundation, Northridge.

    The development and testing of textual analysis procedures using Mexican-Spanish and Papago texts as a phase of a study of method in language and culture research are described in this research report. These procedures, which are designed to allow the examination of informational structure and cognitive content, (1) segment uniformized texts into…

  9. Final Report: Advanced Methods for Accessing and Disseminating Nuclear Data, August 13, 1996 - March 15, 1999

    SciTech Connect

    Stone, Craig A.

    1999-03-15

    Scientific Digital Visions, Inc. developed methods of accessing and dissemination nuclear data contained within the databases of the National Data Center (NNDC) at the Brookhaven National Laboratory supporting a long standing and important DOE Program to provide scientists access to NNDC Databases. The NNDC participated as a partner in this effort.

  10. Factor Regression Analysis: A New Method for Weighting Predictors. Final Report.

    ERIC Educational Resources Information Center

    Curtis, Ervin W.

    The optimum weighting of variables to predict a dependent-criterion variable is an important problem in nearly all of the social and natural sciences. Although the predominant method, multiple regression analysis (MR), yields optimum weights for the sample at hand, these weights are not generally optimum in the population from which the sample was…

  11. Design Study of Methods for Sampling Migrant and Seasonal Farm Workers. Final Report.

    ERIC Educational Resources Information Center

    Kalsbeek, William D.; Parker, Rebecca Robin

    This report describes efforts to develop sampling methods to be used in national or regional studies of migrant and seasonal farm workers (MSFWs). Several facets of the MSFWs' lifestyle create sampling difficulties. One is mobility. Although the dynamic nature of MSFWs' movement is partly understood, it is sufficiently unpredictable to create…

  12. Study of improved methods for predicting chemical equilibria. Final report, January 1, 1990--March 31, 1993

    SciTech Connect

    Lenz, T.G.; Vaughan, J.D.

    1993-09-01

    Objective was to develop computational methods for equilibrium constants of Diels-Alder reactions in gas and liquid solution phases. Approach was to calculate standard enthalpies of formation at 298 K and standard thermodynamic functions for a range of temperatures for reactants and products, and then to calculate standard enthalpies, entropies, Gibbs free energies, and equilibrium constants at various temperatures.

  13. Expedient methods for rattle-proofing certain housing components. Final report

    SciTech Connect

    Schomer, P.D.; Hottman, S.D.; Kessler, F.M.; Kessler, R.K.

    1987-12-01

    Occupants of buildings located in areas of high-level impulse noise usually report that the main annoyance factor is the rattle produced by house components upon vibration. This type of noise is associated with helicopter flybys and blast overpressure from artillery and other military training operations. Methods are needed for mitigating rattles in both existing structures and future construction. This report analyzes several different elements to identify individual components contributing to rattle. Elements studied include windows, doors, wall-mounted objects, bric-a-brac, ductwork, gutters, and light fixtures, among others. In general, the primary source of rattle is any small gap between two hard surfaces that are subject to vibration from an exterior noise source. Upon excitation, these surfaces can impact each other, producing the sound. Other rattle sources are identified, and methods are recommended for eliminating or reducing noise from the individual elements.

  14. Methods of extracting hydrogen from lunar soil. Final technical report, 1 April-31 October 1988

    SciTech Connect

    Bustin, R.

    1988-10-01

    Increasing interest in establishing a lunar base has generated considerable study on the utilization of lunar resources. Because of its importance in producing water, reducing oxides, and serving as a fuel for orbital tranfer vehicles, hydrogen is of prime importance as a resource. Lowman (1985) states that hydrogen would greatly facilitate the establishment of an autonomous permanent colony, and he calls hydrogen the most valuable lunar resource. Through the centuries, hydrogen has been embedded in lunar soil by the solar wind. The hydrogen can be extracted by heating the soil to 900 C (Carr et al, 1987). In order to obtain hydrogen on the lunar surface, an extraction method must be developed which will not only be reliable but also economically feasible. Three heating methods are examined for possible use in extracting hydrogen from lunar soil.

  15. A Study of Morrison's Iterative Noise Removal Method. Final Report M. S. Thesis

    NASA Technical Reports Server (NTRS)

    Ioup, G. E.; Wright, K. A. R.

    1985-01-01

    Morrison's iterative noise removal method is studied by characterizing its effect upon systems of differing noise level and response function. The nature of data acquired from a linear shift invariant instrument is discussed so as to define the relationship between the input signal, the instrument response function, and the output signal. Fourier analysis is introduced, along with several pertinent theorems, as a tool to more thorough understanding of the nature of and difficulties with deconvolution. In relation to such difficulties the necessity of a noise removal process is discussed. Morrison's iterative noise removal method and the restrictions upon its application are developed. The nature of permissible response functions is discussed, as is the choice of the response functions used.

  16. Load Modeling and State Estimation Methods for Power Distribution Systems: Final Report

    SciTech Connect

    Tom McDermott

    2010-05-07

    The project objective was to provide robust state estimation for distribution systems, comparable to what has been available on transmission systems for decades. This project used an algorithm called Branch Current State Estimation (BCSE), which is more effective than classical methods because it decouples the three phases of a distribution system, and uses branch current instead of node voltage as a state variable, which is a better match to current measurement.

  17. A dual method for optimal control problems with initial and final boundary constraints.

    NASA Technical Reports Server (NTRS)

    Pironneau, O.; Polak, E.

    1973-01-01

    This paper presents two new algorithms belonging to the family of dual methods of centers. The first can be used for solving fixed time optimal control problems with inequality constraints on the initial and terminal states. The second one can be used for solving fixed time optimal control problems with inequality constraints on the initial and terminal states and with affine instantaneous inequality constraints on the control. Convergence is established for both algorithms. Qualitative reasoning indicates that the rate of convergence is linear.

  18. Final Report-- A Novel Storage Method for Concentrating Solar Power Plants Allowing Storage at High Temperature

    SciTech Connect

    Morris, Jeffrey F.

    2014-09-29

    The main objective of the proposed work was the development and testing of a storage method that has the potential to fundamentally change the solar thermal industry. The development of a mathematical model that describes the phenomena involved in the heat storage and recovery was also a main objective of this work. Therefore, the goal was to prepare a design package allowing reliable scale-up and optimization of design.

  19. Development and application of a probabilistic evaluation method for advanced process technologies. Final report

    SciTech Connect

    Frey, H.C.; Rubin, E.S.

    1991-04-01

    The objective of this work is to develop and apply a method for research planning for advanced process technologies. To satisfy requirements for research planning, it is necessary to: (1) identify robust solutions to process design questions in the face of uncertainty to eliminate inferior design options; (2) identify key problem areas in a technology that should be the focus of further research to reduce the risk of technology failure; (3) compare competing technologies on a consistent basis to determine the risks associated with adopting a new technology; and (4) evaluate the effects that additional research might have on comparisons with conventional technology. An important class of process technologies are electric power plants. In particular, advanced clean coal technologies are expected to play a key role in the energy and environmental future of the US, as well as in other countries. Research planning for advanced clean coal technology development is an important part of energy and environmental policy. Thus, the research planning method developed here is applied to case studies focusing on a specific clean coal technology. The purpose of the case studies is both to demonstrate the research planning method and to obtain technology-specific conclusions regarding research strategies.

  20. Method for cutting steam heat losses during cyclic steam injection of wells. Final report

    SciTech Connect

    Gondouin, M.

    1995-12-01

    Heavy Oil is abundant in California. It is a very viscous fluid, which must be thinned in order to flow from wells at economical rates. The best method of oil viscosity reduction is by cyclic steam injection into the oil-containing rock formations. Making steam in conventional generators fueled with Natural Gas is, however, a costly process. The main objective of this Project is to reduce the cost of the required steam, per Barrel of Oil produced. This is made possible by a combination of Patented new technologies with several known methods. The best known method for increasing the production rate from oil wells is to use horizontal drainholes, which provide a much greater flow area from the oil zone into the well. A recent statistic based on 344 horizontal wells in 21 Canadian Oil fields containing Heavy Oil shows that these are, on the average six times more prolific than vertical wells. The cost of horizontal wells, however, is generally two to three times that of a vertical well, in the same field, so our second goal is to reduce the net cost of horizontal wells by connecting two of them to the same vertical casing, well head and pumping system. With such a well configuration, it is possible to get two horizontal wells for the price of about one and a half times the price of a single vertical well.

  1. Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS) coupled to XAD fractionation: Method to algal organic matter characterization.

    PubMed

    Nicolau, Rudy; Leloup, Maud; Lachassagne, Delphine; Pinault, Emilie; Feuillade-Cathalifaud, Geneviève

    2015-05-01

    This work is focused on the development of an analytical procedure for the improvement of the Organic Matter structure characterization, particularly the algal matter. Two fractions of algal organic matter from laboratory cultures of algae (Euglena gracilis) and cyanobacteria (Microcystis aeruginosa) were extracted with XAD resins. The fractions were studied using laser desorption ionization (LDI) and Matrix-Assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF). A comparison with the natural organic matter characteristics from commercial humic acids and fulvic acids extracted from Suwannee River was performed. Results show that algal and natural organic matters have unique quasi-polymeric structures. Significant repeating patterns were identified. Different fractions extracted from organic matter with common origin had common structures. Thus, 44, 114 and 169Da peaks separation for fractions from E. gracilis organic matter and 28, 58 and 100Da for M. aeruginosa ones were clearly observed. Using the developed protocol, a structural scheme and organic matter composition were obtained. The range 600-2000Da contained more architectural composition differences than the range 100-600Da, suggesting that organic matter is composed of an assembly of common small molecules. Associated to specific monomers, particular patterns were common to all samples but assembly and resulting structure were unique for each organic matter. Thus, XAD fractionation coupled to mass spectroscopy allowed determining a specific fingerprint for each organic matter.

  2. Laserspray ionization, a new atmospheric pressure MALDI method for producing highly charged gas-phase ions of peptides and proteins directly from solid solutions.

    PubMed

    Trimpin, Sarah; Inutan, Ellen D; Herath, Thushani N; McEwen, Charles N

    2010-02-01

    The first example of a matrix-assisted laser desorption/ionization (MALDI) process producing multiply charged mass spectra nearly identical to those observed with electrospray ionization (ESI) is presented. MALDI is noted for its ability to produce singly charged ions, but in the experiments described here multiply charged ions are produced by laser ablation of analyte incorporated into a common MALDI matrix, 2,5-dihydroxybenzoic acid, using standard solvent-based sample preparation protocols. Laser ablation is known to produce matrix clusters in MALDI provided a threshold energy is achieved. We propose that these clusters (liquid droplets) are highly charged, and under conditions that produce sufficient matrix evaporation, ions are field-evaporated from the droplets similarly to ESI. Because of the multiple charging, advanced mass spectrometers with limited mass-to-charge range can be used for protein characterization. Thus, using an Orbitrap mass spectrometer, low femtomole quantities of proteins produce full-range mass spectra at 100,000 mass resolution with <5-ppm mass accuracy and with 1-s acquisition. Furthermore, the first example of protein fragmentation using electron transfer dissociation with MALDI is presented.

  3. Advancing Reactive Tracer Methods for Measurement of Thermal Evolution in Geothermal Reservoirs: Final Report

    SciTech Connect

    Mitchell A. Plummer; Carl D. Palmer; Earl D. Mattson; Laurence C. Hull; George D. Redden

    2011-07-01

    The injection of cold fluids into engineered geothermal system (EGS) and conventional geothermal reservoirs may be done to help extract heat from the subsurface or to maintain pressures within the reservoir (e.g., Rose et al., 2001). As these injected fluids move along fractures, they acquire heat from the rock matrix and remove it from the reservoir as they are extracted to the surface. A consequence of such injection is the migration of a cold-fluid front through the reservoir (Figure 1) that could eventually reach the production well and result in the lowering of the temperature of the produced fluids (thermal breakthrough). Efficient operation of an EGS as well as conventional geothermal systems involving cold-fluid injection requires accurate and timely information about thermal depletion of the reservoir in response to operation. In particular, accurate predictions of the time to thermal breakthrough and subsequent rate of thermal drawdown are necessary for reservoir management, design of fracture stimulation and well drilling programs, and forecasting of economic return. A potential method for estimating migration of a cold front between an injection well and a production well is through application of reactive tracer tests, using chemical whose rate of degradation is dependent on the reservoir temperature between the two wells (e.g., Robinson 1985). With repeated tests, the rate of migration of the thermal front can be determined, and the time to thermal breakthrough calculated. While the basic theory behind the concept of thermal tracers has been understood for some time, effective application of the method has yet to be demonstrated. This report describes results of a study that used several methods to investigate application of reactive tracers to monitoring the thermal evolution of a geothermal reservoir. These methods included (1) mathematical investigation of the sensitivity of known and hypothetical reactive tracers, (2) laboratory testing of novel

  4. Atmospheric Ionization Measurements

    NASA Astrophysics Data System (ADS)

    Slack, Thomas; Mayes, Riley

    2015-04-01

    The measurement of atmospheric ionization is a largely unexplored science that potentially holds the key to better understanding many different geophysical phenomena through this new and valuable source of data. Through the LaACES program, which is funded by NASA through the Louisiana Space Consortium, students at Loyola University New Orleans have pursued the goal of measuring high altitude ionization for nearly three years, and were the first to successfully collect ionization data at altitudes over 30,000 feet using a scientific weather balloon flown from the NASA Columbia Scientific Ballooning Facility in Palestine, TX. In order to measure atmospheric ionization, the science team uses a lightweight and highly customized sensor known as a Gerdien condenser. Among other branches of science the data is already being used for, such as the study of aerosol pollution levels in the atmosphere, the data may also be useful in meteorology and seismology. Ionization data might provide another variable with which to predict weather or seismic activity more accurately and further in advance. Thomas Slack and Riley Mayes have served as project managers for the experiment, and have extensive knowledge of the experiment from the ground up. LaSPACE Louisiana Space Consortium.

  5. Accelerated screening methods for determining chemical and thermal stability of refrigerant-lubricant mixtures, Part 1: Method assessment. Final report

    SciTech Connect

    Kauffman, R.

    1993-04-01

    This report presents results of a literature search performed to identify analytical techniques suitable for accelerated screening of chemical and thermal stabilities of different refrigerant/lubricant combinations. Search focused on three areas: Chemical stability data of HFC-134a and other non-chlorine containing refrigerant candidates; chemical stability data of CFC-12, HCFC-22, and other chlorine containing refrigerants; and accelerated thermal analytical techniques. Literature was catalogued and an abstract was written for each journal article or technical report. Several thermal analytical techniques were identified as candidates for development into accelerated screening tests. They are easy to operate, are common to most laboratories, and are expected to produce refrigerant/lubricant stability evaluations which agree with the current stability test ANSI/ASHRAE (American National Standards Institute/American Society of Heating, Refrigerating, and Air-Conditioning Engineers) Standard 97-1989, ``Sealed Glass Tube Method to Test the Chemical Stability of Material for Use Within Refrigerant Systems.`` Initial results of one accelerated thermal analytical candidate, DTA, are presented for CFC-12/mineral oil and HCFC-22/mineral oil combinations. Also described is research which will be performed in Part II to optimize the selected candidate.

  6. Uncertainty analysis of the Measured Performance Rating (MPR) method. Final report

    SciTech Connect

    Not Available

    1993-11-01

    A report was commissioned by the New York State Energy Research and Development Authority and the Electric Power Research Institute to evaluate the uncertainties in the energy monitoring method known as measured performance rating (MPR). The work is intended to help further development of the MPR system by quantitatively analyzing the uncertainties in estimates of the heat loss coefficients and heating system efficiencies. The analysis indicates that the MPR should detect as little as a 7 percent change in the heat loss coefficients and heating system efficiencies. The analysis indicate that the MPR should be able to detect as little as a 7 percent change in the heat loss coefficient at 95 percent confidence level. MPR appears sufficiently robust for characterizing common weatherization treatments; e.g., increasing attic insulation from R-7 to R-19 in a typical single-story, 1,100 sq. ft. house resulting in a 19 percent reduction in heat loss coefficient. Furnace efficiency uncertainties ranged up to three times those of the heat loss coefficients. Measurement uncertainties (at the 95 percent confidence level) were estimated to be from 1 to 5 percent for heat loss coefficients and 1.5 percent for a typical furnace efficiency. The analysis also shows a limitation in applying MPR to houses with heating ducts in slabs on grade and to those with very large thermal mass. Most of the uncertainties encountered in the study were due more to the methods of estimating the ``true`` heat loss coefficients, furnace efficiency, and furnace fuel consumption (by collecting fuel bills and simulating two actual houses) than to the MPR approach. These uncertainties in the true parameter values become evidence for arguments in favor of the need of empirical measures of heat loss coefficient and furnace efficiency, like the MPR method, rather than arguments against.

  7. C deg continuity elements by Hybrid Stress method. M.S. Thesis, 1982 Final Report

    NASA Technical Reports Server (NTRS)

    Kang, David Sung-Soo

    1991-01-01

    An intensive study of the assumed variable distribution necessary for the Assumed Displacement Formulation, the Hellinger-Reissner Formulation, and the Hu-Washizu Formulation is made in a unified manner. With emphasis on physical explanation, a systematic method for the Hybrid Stress element construction is outlined. The numerical examples use four and eight node plane stress elements and eight and twenty node solid elements. Computation cost study indicates that the hybrid stress element derived using recently developed Uncoupled Stress Formulation is comparable in CPU time to the Assumed Displacement element. Overall, main emphasis is placed on providing a broader understanding of the Hybrid Stress Formulation.

  8. Carbonaceous species methods comparison study: University of Minnesota results. Final report

    SciTech Connect

    McMurry, P.H.; Zhang, X.

    1988-10-01

    The Carbon Methods Comparison Study conducted during August 12-20, 1986 at Citrus College, Glendora, CA in the Los Angeles basin compared analytical methodologies for analyzing the carbon content of aerosol samples, as well as compared measurements acquired with different samples. Five samplers, including a multistage microorifice uniform deposit impactor (MOUDI), a conventional quartz filter, a specially designed electrostatic precipitator (ESP), and 2 identical single stage MOUDIs were used. One of the single stage MOUDIs was used as a fine particle sampler; the second was used in experiments to investigate possible sampling articles. The results are summarized and discussed.

  9. Test methods for the dynamic mechanical properties of polymeric materials. Final report

    SciTech Connect

    Baker, G.K.

    1980-06-01

    Various test geometries and procedures for the dynamic mechanical analysis of polymers employing a mechanical spectrometer have been evaluated. The methods and materials included in this work are forced torsional pendulum testing of Kevlar/epoxy laminates and rigid urethane foams, oscillatory parallel plate testing to determine the kinetics of the cure of VCE with Hylene MP, oscillatory compressive testing of B-3223 cellular silicone, and oscillatory tensile testing of Silastic E and single Kevlar filaments. Fundamental dynamic mechanical properties, including the storage and loss moduli and loss tangent of the materials tested, were determined as a function of temperature and sometimes of frequency.

  10. Development of a method for evaluating carbon dioxide miscible flooding prospects. Final report

    SciTech Connect

    Green, D.W.; Swift, G.W.

    1985-03-01

    Research was undertaken to develop a method of evaluating reservoirs as prospects for carbon dioxide flooding. Evaluation was to be based on a determination of miscibility pressure and displacement efficiency under idealized conditions. To reach the objective, project work was divided into five areas: (1) conducting of phase-equilibrium studies of carbon dioxide with synthetic oils; (2) application of an equation of state to simulate the phase behavior of carbon dioxide - oil systems; (3) conducting of linear displacements of crude oils and synthetic oils by carbon dioxide in a slim-tube apparatus; (4) application of the equation of state, the phase-behavior data and slim-tube data to develop a method of screening reservoirs for carbon dioxide flooding based on determination of minimum miscibility pressure and displacement efficiency; (5) development of a one-dimensional mathematical model, based on the equation of state, for application in conjunction with the results of Parts 1 to 4. The accomplishments for these five areas are discussed in five chapters. 44 references, 90 figures, 42 tables.

  11. Cost-effective method for determining the grindability of ceramics. Final report

    SciTech Connect

    Guo, C.; Chand, R.H.

    1997-02-01

    The objective of this program was to develop a cost-effective method to determine the grindability of ceramics leading to cost-effective methods for machining such ceramics. In this first phase of activity, Chand Kare Technical Ceramics directed its efforts towards development of a definition for ceramic grindability, design of grindability-test experiments, and development of a ceramics-grindability test system (CGTS). The grindability study also included the establishment of the correlation between the grindability and conventional grinding practices. The above goals were achieved. A definition based on material removal rate under controlled force grinding was developed. Three prototypes CGTSs were developed and tested; suitable design was identified. Based on this, a fully automatic CGTS was developed and is ready for delivery to Oak Ridge National Laboratory. Comprehensive grindability tests for various commercially available engineering ceramics were conducted. Experimental results indicated that ceramics have significantly different grindabilities even though their mechanical properties were not significantly different. This implies that grindability of ceramics can be greatly improved. Further study is needed to establish correlations between microstructure and grindability. Therefore, grindability should be evaluated during the development of new ceramics or improvement of existing ones. In this report, the development of the ceramic-grindability definition, the development of CGTS, extensive grindability results, and the preliminary correlation between grindability and mechanical properties (such as flexural strength, hardness, elastic modulus, and fracture toughness) were summarized.

  12. Final program evaluation methods and results of a National Lymphedema Management Program in Togo, West Africa.

    PubMed

    Ziperstein, Josh; Dorkenoo, Monique; Datagni, Michel; Drexler, Naomi; Murphy, Monica; Sodahlon, Yao; Mathieu, Els

    2014-06-01

    In order to eliminate Lymphatic Filariasis (LF) as a public health problem, the World Health Assembly recommends an approach which includes interruption of transmission of infection and the alleviation of morbidity. In 2000, the Togolese National Program to Eliminate Lymphatic Filariasis (PNELF) started the annual mass drug administrations and in 2007, the program added a morbidity component for the management of lymphedema. This manuscript describes the methods of an evaluation aimed at assessing the strengths and weaknesses of the Togolese National Lymphedema Morbidity Program. The evaluation was conducted through in-depth interviews with stakeholders at each programmatic level. Interviews focused on message dissemination, health provider training, patient self-care practices, social dynamics, and program impact. The evaluation demonstrated that the program strengths include the standardization and in-depth training of health staff, dissemination of the program's treatment message, a positive change in the community's perception of lymphedema, and successful patient recruitment and training in care techniques. The lessons learned from this evaluation helped to improve Togo's program, but may also provide guidance and strategies for other countries desiring to develop a morbidity program. The methods of program evaluation described in this paper can serve as a model for monitoring components of other decentralized national health programs in low resource settings.

  13. Methods for evaluating and ranking transportation energy conservation programs. Final report

    SciTech Connect

    Not Available

    1981-04-30

    Methods for comparative evaluations of the Office of Transportation programs designed to help achieve significant reductions in the consumption of petroleum by different forms of transportation while maintaining public, commercial, and industrial mobility are described. Assessments of the programs in terms of petroleum savings, incremental costs to consumers of the technologies and activities, probability of technical and market success, and external impacts due to environmental, economic, and social factors are inputs to the evaluation methodologies presented. The methods described for evaluating the programs on a comparative basis are three ranking functions and a policy matrix listing important attributes of the programs and the technologies and activities with which they are concerned and include the traditional net present value measure which computes the present worth of petroleum savings less the present worth of costs. This is modified by dividing by the present value of DOE funding to obtain a net present value per program dollar, which is the second ranking function. The third ranking function is broader in that it takes external impacts into account and is known as the comprehensive ranking function. Procedures are described for making computations of the ranking functions and the attributes that require computation. Computations are made for the electric vehicle, Stirling engine, gas turbine, and MPG mileage guide program. (MCW)

  14. Final report on DSA methods for monitoring alumina in aluminum reduction cells with cermet anodes

    NASA Astrophysics Data System (ADS)

    Windisch, C. F., Jr.

    1992-04-01

    The Sensors Development Program was conducted at the Pacific Northwest Laboratory (PNL) for the US Department of Energy, Office of Industrial Processes. The work was performed in conjunction with the Inert Electrodes Program at PNL. The objective of the Sensors Development Program in FY 1990 through FY 1992 was to determine whether methods based on digital signal analysis (DSA) could be used to measure alumina concentration in aluminum reduction cells. Specifically, this work was performed to determine whether useful correlations exist between alumina concentration and various DSA-derived quantification parameters, calculated for current and voltage signals from laboratory and field aluminum reduction cells. If appropriate correlations could be found, then the quantification parameters might be used to monitor and, consequently, help control the alumina concentration in commercial reduction cells. The control of alumina concentration is especially important for cermet anodes, which have exhibited instability and excessive wear at alumina concentrations removed from saturation.

  15. Final report: ES11: The 23rd Annual Workshop on Electronic Structure Methods

    SciTech Connect

    Rappe, Andrew M.

    2011-08-31

    ES11: the 23rd Annual Workshop on Electronic Structure Methods was held from June 6-9, 2011 at the University of Pennsylvania. The local organizing committee (see Section II) led by PI Andrew M. Rappe supervised the organization of the conference, before, during, and after the meeting itself. The national organizing committee set the technical program of talks, and provided support and advice in various ways. The conference was well-attended (see Section III). An important feature of this conference was a series of panel discussions (see Section IV) to discuss the field of electronic structure and to set new directions. The technical program was of extraordinarily high quality (see Section V). The host institution, the University of Pennsylvania, provided a supportive environment for this meeting (see Section VI).

  16. Superelement methods in high temperature metal matrix composites. Final Report; M.S. Thesis, 1989

    NASA Technical Reports Server (NTRS)

    Trowbridge, Daniel

    1991-01-01

    A study into fiber fracture and debonding in metal matrix composites is conducted using the finite element method. The superelement finite element technique was used to model a metal matrix composite under various loading condition and with varying degrees of fiber debonding. The use of superelement saved many man hours by allowing for alteration of only the primary superelement to manipulate partial bonding for the entire model. The composite's material properties were calculated and the effects of fiber debonding on these properties were noted. The internal stress state of the composite while under various loads was also studied. Special interest was devoted to the change in stress state as a result of increasing fiber debonding.

  17. Linear and nonlinear dynamic analysis by boundary element method. Ph.D. Thesis, 1986 Final Report

    NASA Technical Reports Server (NTRS)

    Ahmad, Shahid

    1991-01-01

    An advanced implementation of the direct boundary element method (BEM) applicable to free-vibration, periodic (steady-state) vibration and linear and nonlinear transient dynamic problems involving two and three-dimensional isotropic solids of arbitrary shape is presented. Interior, exterior, and half-space problems can all be solved by the present formulation. For the free-vibration analysis, a new real variable BEM formulation is presented which solves the free-vibration problem in the form of algebraic equations (formed from the static kernels) and needs only surface discretization. In the area of time-domain transient analysis, the BEM is well suited because it gives an implicit formulation. Although the integral formulations are elegant, because of the complexity of the formulation it has never been implemented in exact form. In the present work, linear and nonlinear time domain transient analysis for three-dimensional solids has been implemented in a general and complete manner. The formulation and implementation of the nonlinear, transient, dynamic analysis presented here is the first ever in the field of boundary element analysis. Almost all the existing formulation of BEM in dynamics use the constant variation of the variables in space and time which is very unrealistic for engineering problems and, in some cases, it leads to unacceptably inaccurate results. In the present work, linear and quadratic isoparametric boundary elements are used for discretization of geometry and functional variations in space. In addition, higher order variations in time are used. These methods of analysis are applicable to piecewise-homogeneous materials, such that not only problems of the layered media and the soil-structure interaction can be analyzed but also a large problem can be solved by the usual sub-structuring technique. The analyses have been incorporated in a versatile, general-purpose computer program. Some numerical problems are solved and, through comparisons

  18. Comparison of void-measurement methods for carbon/epoxy composites. Final report

    SciTech Connect

    Ghiorse, S.R.

    1991-04-01

    This report studies four destructive measurement techniques for determining void volume fraction in CFRP composites. Two approaches to void measurement were taken: density determination/matrix digestion (DD/MD), and optical image analysis. Within each approach two techniques were studied. In the DD/MD approach, the water buoyancy technique WBY0 (see ASTM D 792) and density gradient technique (DGT) (see ASTM D 1505) were investigated. In the image analysis approach a Dapple Image Analyzer, and the more automated Omnimet Image Analyzer, techniques were investigated. It was found that true or absolute void content is quite difficult to measure regardless of the technique used. However, when making relative measurements between like specimens void content comparisons are reliable and practical to obtain. The WBT recorded consistently lower void content data than the DGT; it was also found to be less precise. For routine CFRP, void content determination, where relative comparisons are sufficient and high precision is not an issue, the WBT is recommended as it is practical to implement. When high precision is needed, the DGT is recommended. Image analysis methods produce highly localized data, but it is likely that they approximate true void content more closely than the DD/MD method because the void measurement, though actually a measure of void area, is direct. For more critical void content measurement where accuracy, as well as precision are required, a highly automated version of an image analysis technique, like the Omnimet, which scans a large number of cross sections is recommended. At present, this appears to be the best procedure available to determine true void content.

  19. Diagnosing transient ionization in dynamic events

    NASA Astrophysics Data System (ADS)

    Doyle, J. G.; Giunta, A.; Madjarska, M. S.; Summers, H.; O'Mullane, M.; Singh, A.

    2013-09-01

    Aims: The present study aims to provide a diagnostic line ratio that will enable the observer to determine whether a plasma is in a state of transient ionization. Methods: We use the Atomic Data and Analysis Structure (ADAS) to calculate line contribution functions for two lines, Si iv 1394 Å and O iv 1401 Å, formed in the solar transition region. The generalized collisional-radiative theory is used. It includes all radiative and electron collisional processes, except for photon-induced processes. State-resolved direct ionization and recombination to and from the next ionization stage are also taken into account. Results: For dynamic bursts with a decay time of a few seconds, the Si iv 1394 Å line can be enhanced by a factor of 2-4 in the first fraction of a second with the peak in the line contribution function occurring initially at a higher electron temperature due to transient ionization compared to ionization equilibrium conditions. On the other hand, the O iv 1401 Å does not show such any enhancement. Thus the ratio of these two lines, which can be observed with the Interface Region Imaging Spectrograph, can be used as a diagnostic of transient ionization. Conclusions: We show that simultaneous high-cadence observations of two lines formed in the solar transition region may be used as a direct diagnostic of whether the observed plasma is in transient ionization. The ratio of these two lines can change by a factor of four in a few seconds owing to transient ionization alone.

  20. A sensitive liquid chromatography-electrospray ionization-mass spectrometry method for the simultaneous determination of pentoxyverine citrate and guaifenesin in human plasma---application to pharmacokinetic and bioequivalence studies.

    PubMed

    Wen, Jinhua; Zhang, Hong; Xia, Chunhua; Hu, Xiao; Xu, Wenwei; Cheng, Xiaohua; Gao, Jun; Xiong, Yuqing

    2010-04-01

    A sensitive and specific liquid chromatography-electrospray ionization-mass spectrometry method for the identification and quantification of pentoxyverine citrate and guaifenesin in human plasma has been developed. After extraction from plasma samples by ethyl acetate, the internal standard and analytes were separated by high-performance liquid chromatographic on a Shim-pack VP-ODS C(18) column (150 x 2.0 mm) using a mobile phase consisting of A (methanol) and B (0.4% glacial acetic acid and 4 mmol/L ammonium acetate) (A:B, 43 : 57). Analysis was performed on a Shimadzu LC/MS-2010A in selected ion monitoring mode with a positive electrospray ionization interface. The method was linear in the concentration range of 1.0-640.0 ng/mL for pentoxyverine citrate and 0.025-6.4 microg/mL for guaifenesin. The inter- and intra- precision were all within 12% and accuracy ranged from 85 to 115%.The lower limits of quantification were 1.0 ng/mL for pentoxyverine citrate and 25.0 ng/mL for guaifenesin. The extraction recovery was on average 81.95% for pentoxyverine citrate and 89.03% for guaifenesin. This is the first assay method reported for the simultaneous determination of pentoxyverine citrate and guaifenesin in plasma using one chromatographic run.

  1. Atmospheric Pressure Ionization Using a High Voltage Target Compared to Electrospray Ionization

    NASA Astrophysics Data System (ADS)

    Lubin, Arnaud; Bajic, Steve; Cabooter, Deirdre; Augustijns, Patrick; Cuyckens, Filip

    2017-02-01

    A new atmospheric pressure ionization (API) source, viz. UniSpray, was evaluated for mass spectrometry (MS) analysis of pharmaceutical compounds by head-to-head comparison with electrospray ionization (ESI) on the same high-resolution MS system. The atmospheric pressure ionization source is composed of a grounded nebulizer spraying onto a high voltage, cylindrical stainless steel target. Molecules are ionized in a similar fashion to electrospray ionization, predominantly producing protonated or deprotonated species. Adduct formation (e.g., proton and sodium adducts) and in-source fragmentation is shown to be almost identical between the two sources. The performance of the new API source was compared with electrospray by infusion of a mix of 22 pharmaceutical compounds with a wide variety of functional groups and physico-chemical properties (molecular weight, logP, and pKa) in more than 100 different conditions (mobile phase strength, solvents, pH, and flow rate). The new API source shows an intensity gain of a factor 2.2 compared with ESI considering all conditions on all compounds tested. Finally, some hypotheses on the ionization mechanism, similarities, and differences with ESI, are discussed.

  2. Machine self-teaching methods for parameter optimization. Final report, October 1984-August 1986

    SciTech Connect

    Dillard, R.A.

    1986-12-01

    The problem of determining near-optimum parameter-control logic is addressed for cases where a sensor or communication system is highly flexible and the logic cannot be determined analytically. A system that supports human-like learning of optimum parameters is outlined. The major subsystems are (1) a simulation system (described for a radar example), (2) a performance monitoring system, (3) the learning system, and (4) the initial knowledge used by all subsystems. The initial knowledge is expressed modularly as specifications (e.g., radar constraints, performance measures, and target characteristics), relationships (among parameters, intermediate measures, and component performance measures), and formulas. The intent of the learning system is to relieve the human from the very tedious trial-and-error process of examining performance, selecting and applying curve-fitting methods, and selecting the next trial set of parameters. A learning system to design a simple radar meeting specific performance constraints is described in detail, for experimental purposes, in generic object-based code.

  3. Development of on-farm oil recovery and processing methods: Final report

    SciTech Connect

    Goodrum, J.W.; Kilgo, M.B.

    1987-09-02

    Using supercritical carbon dioxide (SC-CO2), peanut oil was extracted from ground peanuts at pressures of 2000 to 10,000 psi and temperatures of 25-120/degree/ C. Above 6000 psi, increasing the temperature to the maximum possible without heavily charring the peanuts (120/degree/C) significantly increased the initial extraction rate. Increasing the pressure at constant temperature increased the rate. At higher temperatures (75/degree/ C and above) roasting began to occur, however, this was not detrimental to the extraction rate or overall oil recovery. Decreasing the particle size increases the overall yield per batch of peanuts as seen in both the half factorial and particle size experiments. Increasing the moisture increases the amount of volatiles lost. The flow rate does not affect the solubility, percent oil recovered or volatiles lost for flow rates of 40 to 60 liters CO2/minute at STP. Recovery of peanut and rapeseed oil with a combined process of partial recovery in a screw press plus extraction of the remaining oil with SC-CO2 is technically a viable alternative to other oil recovery methods. Oil recoveries of 95% (peanuts) and 75% (rapeseed) have been demonstrated. The initial extraction rate for rapeseed was consistently lower than the rate for peanuts at the same extraction temperature and pressure. No differences in SC-CO2 extraction rates or yields were found between Dwarf Essex and Cascade varieties of rapeseed. 8 refs., 17 figs., 5 tabs.

  4. Dispersion measurement as a method of quantifying geologic characterization and defining reservoir heterogeneity. Final report

    SciTech Connect

    Menzie, D.E.

    1995-05-01

    The main objective of this research project is to investigate dispersion as a method of quantifying geological characterization and defining reservoir heterogeneity in order to enhance crude oil recovery. The dispersion of flow of a reservoir rock (dispersion coefficient and dispersivity) was identified as one of the physical properties of a reservoir rock by measuring the mixing of two miscible fluids, one displacing the other in a porous medium. A rock was 100% saturated with a resident fluid and displaced by a miscible fluid of equal viscosity and equal density. Some specific experiments were performed with unequal densities. Produced fluid was analyzed by refractometer, nuclear reaction, electrical conductivity and X-ray scan. Several physical and flow characteristics were measured on the sand rock sample in order to establish correlations with the measured dispersion property. Absolute permeability, effective porosity, relative permeability, capillary pressure, the heterogeneity factor and electrical conductivity were used to better understand the flow system. Linear, transverse, 2-D and 3-D dispersions were measured and used to characterize the rock heterogeneity of the flow system. A new system of measuring dispersion was developed using a gas displacing gas system in a porous medium. An attempt was also made to determine the dispersion property of an actual reservoir from present day well log data on a producing well. 275 refs., 102 figs., 17 tabs.

  5. Development of improved methods for locating large areas of bypassed oil in Louisiana. Final report

    SciTech Connect

    Bourgoyne, A.T. Jr.; Kimbrell, C.

    1994-07-01

    The primary objective of the project was to develop a predictive method for locating Pockets of bypassed mobile oil and estimating the volume of this resource. A secondary objective of the project was to transfer the learned technology to small independent operators who drill a majority of the domestic wells but lack access to a research staff. Another objective was to develop a format for compiling data on Louisiana reservoirs in a form that can be used by government and industry to evaluate the resource and plan future activities. The format developed will be demonstrated using data compiled in the bypassed oil study for selected reservoirs. The project was being funded over a three-year period and was jointly funded by the DOE and the state of Louisiana. The objectives of the project were accomplished using an interdisciplinary approach which included the disciplines of engineering, geology, and computer science. The work was organized into the following major tasks: Selection of reservoirs for study of bypassed oil potential; development of improved reservoir simulator for bypassed oil prospecting; an interdisciplinary reservoir characterization study of Louisiana reservoirs; active modelling of bypassed oil for three Louisiana reservoirs; and technology transfer activities.

  6. Computational methods for stellerator configurations. Final report, May 15, 1989--November 14, 1992

    SciTech Connect

    Betancourt, O.

    1992-04-01

    This project had two main objectives. The first one was to continue to develop computational methods for the study of three dimensional magnetic confinement configurations. The second one was to collaborate and interact with researchers in the field who can use these techniques to study and design fusion experiments. The first objective has been achieved with the development of the spectral code BETAS and the formulation of a new variational approach for the study of magnetic island formation in a self consistent fashion. The code can compute the correct island width corresponding to the saturated island, a result shown by comparing the computed island with the results of unstable tearing modes in Tokamaks and with experimental results in the IMS Stellarator. In addition to studying three dimensional nonlinear effects in Tokamaks configurations, these self consistent computed island equilibria will be used to study transport effects due to magnetic island formation and to nonlinearly bifurcated equilibria. The second objective was achieved through direct collaboration with Steve Hirshman at Oak Ridge, D. Anderson and R. Talmage at Wisconsin as well as through participation in the Sherwood and APS meetings.

  7. DETECTORS AND EXPERIMENTAL METHODS: A comparison of ionizing radiation damage in CMOS devices from 60Co gamma rays, electrons and protons

    NASA Astrophysics Data System (ADS)

    He, Bao-Ping; Yao, Zhi-Bin; Zhang, Feng-Qi

    2009-06-01

    Radiation hardened CC4007RH and non-radiation hardened CC4011 devices were irradiated using 60Co gamma rays, 1 MeV electrons and 1-9 MeV protons to compare the ionizing radiation damage of the gamma rays with the charged particles. For all devices examined, with experimental uncertainty, the radiation induced threshold voltage shifts (ΔVth) generated by 60Co gamma rays are equal to that of 1 MeV electron and 1-7 MeV proton radiation under 0 gate bias condition. Under 5 V gate bias condition, the distinction of threshold voltage shifts (ΔVth) generated by 60Co gamma rays and 1 MeV electrons irradiation are not large, and the radiation damage for protons below 9 MeV is always less than that of 60Co gamma rays. The lower energy the proton has, the less serious the radiation damage becomes.

  8. Electron Impact Ionization of He atom using screening potential

    NASA Astrophysics Data System (ADS)

    Saha, Hari P.

    2012-06-01

    We will report the results of our investigation on electron impact ionization of helium atom using our extended MCHF method [1] for electron impact ionization of atoms. The initial state wave function will be calculated with both HF and MCHF approximations and the electron correlation between the two final state continuum electrons will be obtained using the screening potential [2-4]. Calculations will be made for triple differential cross sections for 4 eV excess energy sharing equally by the two final state continuum electrons. The results will be presented for all scattering angles and all kinematics. Comparison will be made with available experimental and theoretical data. [4pt] [1] Hari P. Saha, Phys. Rev. A82, 042703 (2010); J.Phys. B44, 065202 (2011).[0pt] [2] M.R.H. Rudge and M.J. Seaton, Proc. Roy. Soc. A293. 262 (1965).[0pt] [3] M.R.H. Rudge, Rev. Mod. Phys. 40, 564 (1968).[0pt] [4] C.Pan and A.F Starace, Phys. Rev. Lett. 67, 185 (1991); Phys. Rev. A45, 4588 (1992).

  9. New methods and chemicals to control regrowth in trees. Final report

    SciTech Connect

    Domir, S.C.

    1982-09-01

    A study was made of new methods and chemicals for controlling growth in trees. As a result of this research program, a portable, air-powered injection system was developed, numerous growth retardants were tested in both the greenhouse and the field, and information was gathered on the transport and metabolic fate of injected chemicals. Using young, containerized seedlings in the greenhouse, numerous chemicals were screened for their potential as growth retardants. The most consistently effective chemicals tested over a wide range of tree species were maleic hydrazide (Slo Gro, MH) and dikegulac (Atrinal). At appropriate concentrations, these chemicals controlled sprout regrowth in most species without unacceptable phytotoxicity. Using the air-powered, trunk injection system, field tests were conducted on 14 species in 12 states and 17 cities using MH and Atrinal. Both chemicals were successful in controlling growth of most species for one year. In several instances regrowth was controlled for two or more growing seasons. Investigations on the various factors that influence variability to chemical treatment indicate that environmental factors such as moisture stress, air pollution and deicing salts do not decrease the effectiveness of MH treatment and may, on occasion, enhance its growth control capabilities. Plant factors such as canopy size and developmental state at injection time also play an important role in determining the ultimate effectiveness of chemical treatment. Laboratory studies on transport and metabolism of MH show that the chemical is widely distributed throughout the plant over a 30 day period. Although most of the chemical is extractable, significant amounts were present in the bound form. MH may or may not be metabolized, depending on the species.

  10. Measurement of the Top Quark Mass in Dilepton Final States with the Neutrino Weighting Method

    SciTech Connect

    Ilchenko, Yuriy

    2012-12-15

    The top quark is the heaviest fundamental particle observed to date. The mass of the top quark is a free parameter in the Standard Model (SM). A precise measurement of its mass is particularly important as it sets an indirect constraint on the mass of the Higgs boson. It is also a useful constraint on contributions from physics beyond the SM and may play a fundamental role in the electroweak symmetry breaking mechanism. I present a measurement of the top quark mass in the dilepton channel using the Neutrino Weighting Method. The data sample corresponds to an integrated luminosity of 4.3 fb-1 of p$\\bar{p}$ collisions at Tevatron with √s = 1.96 TeV, collected with the DØ detector. Kinematically under-constrained dilepton events are analyzed by integrating over neutrino rapidity. Weight distributions of t$\\bar{t}$ signal and background are produced as a function of the top quark mass for different top quark mass hypotheses. The measurement is performed by constructing templates from the moments of the weight distributions and input top quark mass, followed by a subsequent likelihood t to data. The dominant systematic uncertainties from jet energy calibration is reduced by using a correction from `+jets channel. To replicate the quark avor dependence of the jet response in data, jets in the simulated events are additionally corrected. The result is combined with our preceding measurement on 1 fb-1 and yields mt = 174.0± 2.4 (stat.) ±1.4 (syst.) GeV.

  11. Methods development for measuring and classifying flammability/combustibility of refrigerants. Final report

    SciTech Connect

    Heinonen, E.W.; Tapscott, R.E.; Crawford, F.R.

    1994-12-01

    Because of concerns for the effect that chlorofluorocarbon (CFC) fluids currently in use as refrigerants have on the environment, the refrigeration industry is considering the use of natural refrigerants, many of which are potentially flammable. In some cases, these flammable fluids may result in the least environmental damage when considering ozone depletion, global warming, efficiency, and photochemical reactivity. Many potentially flammable fluids have been proven to be effective when used either by themselves or as a part of a binary or ternary mixture. However, despite favorable initial test results, these fluids may not be acceptable to the general public if questions of safety cannot be adequately addressed. Significant research is being conducted to investigate the flammability of these materials. The purpose of this project is to experimentally determine the impact and variability of eleven different parameters which may affect flammability and/or combustibility of refrigerants and refrigerant blends, as a function of composition and test conditions, and to develop a better understanding of methods and conditions to measure the flammability of refrigerants. The refrigerants used in this study are being considered as new refrigerants and reviewed published data on these materials is scarce. The data contained herein should not be considered complete and should be used only to make relative comparisons of the impacts of the test parameters, not to represent the flammability characteristics of the materials. This report documents Task 3 of the test program. During Task 1, technical literature was thoroughly reviewed and a database of available documents was constructed. During Task 2, the test plan for this task was written. The goals of Task 3 are to investigate the flammability characteristics of selected blends of refrigerants R32, R134a, and R125 using an existing explosion sphere and a newly-constructed ASTM E681 apparatus.

  12. General method to unravel ancient population structures through surnames, final validation on Italian data.

    PubMed

    Boattini, Alessio; Lisa, Antonella; Fiorani, Ornella; Zei, Gianna; Pettener, Davide; Manni, Franz

    2012-06-01

    We analyze the geographic location of 77,451 different Italian surnames (17,579,891 individuals) obtained from the lists of telephone subscribers of the year 1993. By using a specific neural network analysis (Self-Organizing Maps, SOMs), we automatically identify the geographic origin of 49,117 different surnames. To validate the methodology, we compare the results to a study, previously conducted, on the same database, with accurate supervised methods. By comparing the results, we find an overlap of 97%, meaning that the SOMs methodology is highly reliable and well traces back the geographic origin of surnames at the time of their introduction (Late Middle Ages/Renaissance in Italy). SOMs results enables one to distinguish monophyletic surnames from polyphyletic ones, that is surnames having had a single geographic and historic origin from those that started to be in use, with an identical spelling, in different locations (respectively, 76.06% and 21.05% of the total). As we are interested in geographic origins, polyphyletic surnames are excluded from further analyses. By comparing the present location of each monophyletic surname to its inferred geographic origin in late Middle Ages/Renaissance, we measure the extent of the migrations having occurred in Italy since that time. We find that the percentage of individuals presently living in the very area where their surname started to be in use centuries ago is extremely variable (ranging from 22.77% to 77.86% according to the province), thus meaning that self-assessed regional identities seldom correspond to the "autochthony" they imply. For example the upper part of the Thyrennian coast (Northern Latium, Tuscany) has a strong identity but few "autochthonous" inhabitants (∼28%) having been a passageway from the North to the South of Italy.

  13. Evaluation of methods of reducing permeability in porous media by in situ polymer treatments. Final report

    SciTech Connect

    Wilhite, G.P.; Green, D.W.; Young, T.S.; Thiele, J.L.; Michnick, M.J.; Vossoughi, S.; Terry, R.E.

    1986-02-01

    Several processes have been developed to reduce the permeability of reservoir rocks using high-molecular-weight, water-soluble polymers. This report describes a study of two processes which are used commercially to cross link polyacrylamides. Both processes are based upon the controlled release of multivalent metal ions which form a ''crosslink'' of some form between polymers. The first process, called the ''chromium redox process'', consists of the displacement of a polymer slug containing chromium in the +6 oxidation state, followed by a slug of polymer containing a reducing agent. A reaction occurs when the two slugs mix with Cr(VI) being reduced to Cr(III). The Cr(III) reacts with the polymer to form a gel. The second process, called the combination process, consists of the sequential injection of slugs containing polymer, aluminum citrate and polymer followed by resumption of water injection. The research described in this report investigated these two methods of reducing the permeability of porous rocks using polyacrylamides. Research was conducted on properties of bulk gels as they formed as well as in situ gelation in sandpacks and Berea core material. The research was organized in six parts: (1) characterization of gel systems; (2) correlation of gelation times and process variables for chromium(III) systems; (3) kinetics of reactions involving reduction of chromium(VI); (4) rheological studies of gelling processes; (5) insitu gelation of chromium(III) systems; and (6) permeability reduction with alternate slugs of aluminum citrate and polymer. Progress reports in each of these areas are presented. 71 figs., 81 tabs.

  14. A validation of a simple model for the calculation of the ionization energies in X-ray laser-cluster interactions

    SciTech Connect

    White, Jeff; Ackad, Edward

    2015-02-15

    The outer-ionization of an electron from a cluster is an unambiguous quantity, while the inner-ionization threshold is not, resulting in different microscopic quantum-classical hybrid models used in laser-cluster interactions. A simple local ionization threshold model for the change in the ionization energy is proposed and examined, for atoms and ions, at distances in between the initial configuration of the cluster to well into the cluster's disintegration. This model is compared with a full Hartree-Fock energy calculation which accounts for the electron correlation effects using the coupled cluster method with single and double excitations with perturbative triples (CCSD(T)). Good agreement is found between the two lending a strong theoretical support to works which rely on such models for the final and transient properties of the laser-cluster interaction.

  15. XUV ionization of aligned molecules

    SciTech Connect

    Kelkensberg, F.; Siu, W.; Gademann, G.; Rouzee, A.; Vrakking, M. J. J.; Johnsson, P.; Lucchini, M.; Lucchese, R. R.

    2011-11-15

    New extreme-ultraviolet (XUV) light sources such as high-order-harmonic generation (HHG) and free-electron lasers (FELs), combined with laser-induced alignment techniques, enable novel methods for making molecular movies based on measuring molecular frame photoelectron angular distributions. Experiments are presented where CO{sub 2} molecules were impulsively aligned using a near-infrared laser and ionized using femtosecond XUV pulses obtained by HHG. Measured electron angular distributions reveal contributions from four orbitals and the onset of the influence of the molecular structure.

  16. COMPARISON OF INAA AND RNAA METHODS WITH THERMAL-IONIZATION MASS SPECTROMETRY FOR IRIDIUM DETERMINATIONS IN ATMOSPHERIC TRACER STUDIES. (R825247)

    EPA Science Inventory

    The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

  17. Radar detection of radiation-induced ionization in air

    DOEpatents

    Gopalsami, Nachappa; Heifetz, Alexander; Chien, Hual-Te; Liao, Shaolin; Koehl, Eugene R.; Raptis, Apostolos C.

    2015-07-21

    A millimeter wave measurement system has been developed for remote detection of airborne nuclear radiation, based on electromagnetic scattering from radiation-induced ionization in air. Specifically, methods of monitoring radiation-induced ionization of air have been investigated, and the ionized air has been identified as a source of millimeter wave radar reflection, which can be utilized to determine the size and strength of a radiation source.

  18. Ionizing radiation and life.

    PubMed

    Dartnell, Lewis R

    2011-01-01

    Ionizing radiation is a ubiquitous feature of the Cosmos, from exogenous cosmic rays (CR) to the intrinsic mineral radioactivity of a habitable world, and its influences on the emergence and persistence of life are wide-ranging and profound. Much attention has already been focused on the deleterious effects of ionizing radiation on organisms and the complex molecules of life, but ionizing radiation also performs many crucial functions in the generation of habitable planetary environments and the origins of life. This review surveys the role of CR and mineral radioactivity in star formation, generation of biogenic elements, and the synthesis of organic molecules and driving of prebiotic chemistry. Another major theme is the multiple layers of shielding of planetary surfaces from the flux of cosmic radiation and the various effects on a biosphere of violent but rare astrophysical events such as supernovae and gamma-ray bursts. The influences of CR can also be duplicitous, such as limiting the survival of surface life on Mars while potentially supporting a subsurface biosphere in the ocean of Europa. This review highlights the common thread that ionizing radiation forms between the disparate component disciplines of astrobiology.

  19. Alkali ionization detector

    DOEpatents

    Hrizo, John; Bauerle, James E.; Witkowski, Robert E.

    1982-01-01

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

  20. Ionizing radiation from tobacco

    SciTech Connect

    Westin, J.B.

    1987-04-24

    Accidents at nuclear power facilities seem inevitably to bring in their wake a great deal of concern on the part of both the lay and medical communities. Relatively little attention, however, is given to what may be the largest single worldwide source of effectively carcinogenic ionizing radiation: tobacco. The risk of cancer deaths from the Chernobyl disaster are tobacco smoke is discussed.

  1. Microchip sonic spray ionization.

    PubMed

    Pól, Jaroslav; Kauppila, Tiina J; Haapala, Markus; Saarela, Ville; Franssila, Sami; Ketola, Raimo A; Kotiaho, Tapio; Kostiainen, Risto

    2007-05-01

    The first microchip version of sonic spray ionization (SSI) as an atmospheric pressure ionization source for mass spectrometry (MS) is presented. The microchip used for SSI has recently been developed in our laboratory, and it has been used before as an atmospheric pressure chemical ionization (APCI) and atmospheric pressure photoionization (APPI) source. Now the ionization is achieved simply by applying high (sonic) speed nebulizer gas, without heat, corona discharge, or high voltage. The microchip SSI was applied to the analysis of tetra-N-butylammonium, verapamil, testosterone, angiotensin I, and ibuprofen. The limits of detection were in the range of 15 nM to 4 microM. The technique was found to be highly dependent on the position of the chip toward the mass spectrometer inlet, and on the gas and the sample solution flow rates. The microchip SSI provided dynamic linearity following a pattern similar to that used with electrospray, good quantitative repeatability (RSD=16%), and long-term signal stability.

  2. Development of a Rapid and Accurate Identification Method for Citrobacter Species Isolated from Pork Products Using a Matrix-Assisted Laser-Desorption Ionization Time-of-Flight Mass Spectrometry (MALDI-TOF MS).

    PubMed

    Kwak, Hye-Lim; Han, Sun-Kyung; Park, Sunghoon; Park, Si Hong; Shim, Jae-Yong; Oh, Mihwa; Ricke, Steven C; Kim, Hae-Yeong

    2015-09-01

    Previous detection methods for Citrobacter are considered time consuming and laborious. In this study, we have developed a rapid and accurate detection method for Citrobacter species in pork products, using matrix-assisted laser desorption ionization time-of-flight (MALDI-TOF) mass spectrometry (MS). A total of 35 Citrobacter strains were isolated from 30 pork products and identified by both MALDI-TOF MS and 16S rRNA gene sequencing approaches. All isolates were identified to the species level by the MALDI-TOF MS, while 16S rRNA gene sequencing results could not discriminate them clearly. These results confirmed that MALDI-TOF MS is a more accurate and rapid detection method for the identification of Citrobacter species.

  3. Method development for the analysis of N-nitrosodimethylamine and other N-nitrosamines in drinking water at low nanogram/liter concentrations using solid-phase extraction and gas chromatography with chemical ionization tandem mass spectrometry.

    PubMed

    Munch, Jean W; Bassett, Margarita V

    2006-01-01

    N-nitrosodimethylamine (NDMA) is a probable human carcinogen of concern that has been identified as a drinking water contaminant. U.S. Environmental Protection Agency Method 521 has been developed for the analysis of NDMA and 6 additional N-nitrosamines in drinking water at low ng/L concentrations. The method uses solid-phase extraction with coconut charcoal as the sorbent and dichloromethane as the eluent to concentrate 0.50 L water samples to 1 mL. The extracts are analyzed by gas chromatography-chemical ionization tandem mass spectrometry using large-volume injection. Method performance was evaluated in 2 laboratories. Typical analyte recoveries of 87-104% were demonstrated for fortified reagent water samples, and recoveries of 77-106% were demonstrated for fortified drinking water samples. All relative standard deviations on replicate analyses were < 11%.

  4. An innovative method based on quick, easy, cheap, effective, rugged, and safe extraction coupled to desorption electrospray ionization-high resolution mass spectrometry for screening the presence of paralytic shellfish toxins in clams.

    PubMed

    Mattarozzi, Monica; Bianchi, Federica; Milioli, Marco; Cavazza, Antonella; Careri, Maria

    2016-01-15

    The capabilities of desorption electrospray ionization-high resolution mass spectrometry (DESI-HRMS) were tested for screening the presence of some paralytic shellfish toxins in clams. A quick, easy, cheap, effective, rugged, and safe (QuEChERS) approach is proposed for sample clean-up. QuEChERS extraction was optimized by using a full factorial design followed by the multicriteria method of the desirability functions. Quantitation limits in the microgram per kilogram range proved reliability of the method for the detection of the investigated toxins in accordance to the rules laid down by European legislation. The optimized QuEChERS-DESI-HRMS based-method allowed for a rapid reliable screening of the investigated compounds at levels of interest, thus being useful for high-throughput analyses.

  5. Final Technical Report for "Feature Extraction, Characterization, and Visualization for Protein Interaction via Geometric and Topological Methods"

    SciTech Connect

    Wang, Yusu

    2013-03-25

    Shape analysis plays an important role in many applications. In particular, in molecular biology, analyzing molecular shapes is essential to the fundamental problem of understanding how molecules interact. This project aims at developing efficient and effective algorithms to characterize and analyze molecular structures using geometric and topological methods. Two main components of this project are (1) developing novel molecular shape descriptors; and (2) identifying and representing meaningful features based on those descriptors. The project also produces accompanying (visualization) software. Results from this project (09/2006-10/2009) include the following publications. We have also set up web-servers for the software developed in this period, so that our new methods are accessible to a broader scientific community. The web sites are given below as well. In this final technical report, we first list publications and software resulted from this project. We then briefly explain the research conducted and main accomplishments during the period of this project.

  6. Practical method for determination of air kerma by use of an ionization chamber toward construction of a secondary X-ray field to be used in clinical examination rooms.

    PubMed

    Maehata, Itsumi; Hayashi, Hiroaki; Kimoto, Natsumi; Takegami, Kazuki; Okino, Hiroki; Kanazawa, Yuki; Tominaga, Masahide

    2016-07-01

    We propose a new practical method for the construction of an accurate secondary X-ray field using medical diagnostic X-ray equipment. For accurate measurement of the air kerma of an X-ray field, it is important to reduce and evaluate the contamination rate of scattered X-rays. To determine the rate quantitatively, we performed the following studies. First, we developed a shield box in which an ionization chamber could be set at an inner of the box to prevent detection of the X-rays scattered from the air. In addition, we made collimator plates which were placed near the X-ray source for estimation of the contamination rate by scattered X-rays from the movable diaphragm which is a component of the X-ray equipment. Then, we measured the exposure dose while changing the collimator plates, which had diameters of 25-90 mm(ϕ). The ideal value of the exposure dose was derived mathematically by extrapolation to 0 mm(ϕ). Tube voltages ranged from 40 to 130 kV. Under these irradiation conditions, we analyzed the contamination rate by the scattered X-rays. We found that the contamination rates were less than 1.7 and 2.3 %, caused by air and the movable diaphragm, respectively. The extrapolated value of the exposure dose has been determined to have an uncertainty of 0.7 %. The ionization chamber used in this study was calibrated with an accuracy of 5 %. Using this kind of ionization chamber, we can construct a secondary X-ray field with an uncertainty of 5 %.

  7. A regression method including chronological and bone age for predicting final height in Turner's syndrome, with a comparison of existing methods.

    PubMed

    van Teunenbroek, A; Stijnen, T; Otten, B; de Muinck Keizer-Schrama, S; Naeraa, R W; Rongen-Westerlaken, C; Drop, S

    1996-04-01

    A total of 235 measurement points of 57 Dutch women with Turner's syndrome (TS), including women with spontaneous menarche and oestrogen treatment, served to develop a new Turner-specific final height (FH) prediction method (PTS). Analogous to the Tanner and Whitehouse mark 2 method (TW) for normal children, smoothed regression coefficients are tabulated for PTS for height (H), chronological age (CA) and bone age (BA), both TW RUS and Greulich and Pyle (GP). Comparison between all methods on 40 measurement points of 21 Danish TS women showed small mean prediction errors (predicted minus observed FH) and corresponding standard deviation (ESD) of both PTSRUS and PTSGP, in particular at the "younger" ages. Comparison between existing methods on the Dutch data indicated a tendency to overpredict FH. Before the CA of 9 years the mean prediction errors of the Bayley and Pinneau and TW methods were markedly higher compared with the other methods. Overall, the simplest methods--projected height (PAH) and its modification (mPAH)--were remarkably good at most ages. Although the validity of PTSRUS and PTSGP remains to be tested below the age of 6 years, both gave small mean prediction errors and a high accuracy. FH prediction in TS is important in the consideration of growth-promoting therapy or in the evaluation of its effects.

  8. Modulated voltage metastable ionization detector

    NASA Technical Reports Server (NTRS)

    Carle, G. C.; Kojiro, D. R.; Humphrey, D. E. (Inventor)

    1985-01-01

    The output current from a metastable ionization detector (MID) is applied to a modulation voltage circuit. An adjustment is made to balance out the background current, and an output current, above background, is applied to an input of a strip chart recorder. For low level concentrations, i.e., low detected output current, the ionization potential will be at a maximum and the metastable ionization detector will operate at its most sensitive level. When the detected current from the metastable ionization detector increases above a predetermined threshold level, a voltage control circuit is activated which turns on a high voltage transistor which acts to reduce the ionization potential. The ionization potential applied to the metastable ionization detector is then varied so as to maintain the detected signal level constant. The variation in ionization potential is now related to the concentration of the constituent and a representative amplitude is applied to another input of said strip chart recorder.

  9. Ionization Suppression and Recovery in Direct Biofluid Analysis Using Paper Spray Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Vega, Carolina; Spence, Corina; Zhang, Chengsen; Bills, Brandon J.; Manicke, Nicholas E.

    2016-04-01

    Paper spray mass spectrometry is a method for the direct analysis of biofluid samples in which extraction of analytes from dried biofluid spots and electrospray ionization occur from the paper on which the dried sample is stored. We examined matrix effects in the analysis of small molecule drugs from urine, plasma, and whole blood. The general method was to spike stable isotope labeled analogs of each analyte into the spray solvent, while the analyte itself was in the dried biofluid. Intensity of the labeled analog is proportional to ionization efficiency, whereas the ratio of the analyte intensity to the labeled analog in the spray solvent is proportional to recovery. Ion suppression and recovery were found to be compound- and matrix-dependent. Highest levels of ion suppression were obtained for poor ionizers (e.g., analytes lacking basic aliphatic amine groups) in urine and approached -90%. Ion suppression was much lower or even absent for good ionizers (analytes with aliphatic amines) in dried blood spots. Recovery was generally highest in urine and lowest in blood. We also examined the effect of two experimental parameters on ion suppression and recovery: the spray solvent and the sample position (how far away from the paper tip the dried sample was spotted). Finally, the change in ion suppression and analyte elution as a function of time was examined by carrying out a paper spray analysis of dried plasma spots for 5 min by continually replenishing the spray solvent.

  10. Ionization Suppression and Recovery in Direct Biofluid Analysis Using Paper Spray Mass Spectrometry.

    PubMed

    Vega, Carolina; Spence, Corina; Zhang, Chengsen; Bills, Brandon J; Manicke, Nicholas E

    2016-04-01

    Paper spray mass spectrometry is a method for the direct analysis of biofluid samples in which extraction of analytes from dried biofluid spots and electrospray ionization occur from the paper on which the dried sample is stored. We examined matrix effects in the analysis of small molecule drugs from urine, plasma, and whole blood. The general method was to spike stable isotope labeled analogs of each analyte into the spray solvent, while the analyte itself was in the dried biofluid. Intensity of the labeled analog is proportional to ionization efficiency, whereas the ratio of the analyte intensity to the labeled analog in the spray solvent is proportional to recovery. Ion suppression and recovery were found to be compound- and matrix-dependent. Highest levels of ion suppression were obtained for poor ionizers (e.g., analytes lacking basic aliphatic amine groups) in urine and approached -90%. Ion suppression was much lower or even absent for good ionizers (analytes with aliphatic amines) in dried blood spots. Recovery was generally highest in urine and lowest in blood. We also examined the effect of two experimental parameters on ion suppression and recovery: the spray solvent and the sample position (how far away from the paper tip the dried sample was spotted). Finally, the change in ion suppression and analyte elution as a function of time was examined by carrying out a paper spray analysis of dried plasma spots for 5 min by continually replenishing the spray solvent. Graphical Abstract ᅟ.

  11. A mechanism for ionization of nonvolatile compounds in mass spectrometry: considerations from MALDI and inlet ionization.

    PubMed

    Trimpin, Sarah; Wang, Beixi; Inutan, Ellen D; Li, Jing; Lietz, Christopher B; Harron, Andrew; Pagnotti, Vincent S; Sardelis, Diana; McEwen, Charles N

    2012-10-01

    Mechanistic arguments relative to matrix-assisted laser desorption/ionization (MALDI) mass spectrometry (MS) address observations that predominately singly charged ions are detected. However, recently a matrix assisted laser ablation method, laserspray ionization (LSI), was introduced that can use the same sample preparation and laser as MALDI, but produce highly charged ions from proteins. In MALDI, ions are generated from neutral molecules by the photon energy provided to a matrix, while in LSI ions are produced inside a heated inlet tube linking atmospheric pressure and the first vacuum region of the mass spectrometer. Some LSI matrices also produce highly charged ions with MALDI ion sources operated at intermediate pressure or high vacuum. The operational similarity of LSI to MALDI, and the large difference in charge states observed by these methods, provides information of fundamental importance to proposed ionization mechanisms for LSI and MALDI. Here, we present data suggesting that the prompt and delayed ionization reported for vacuum MALDI are both fast processes relative to producing highly charged ions by LSI. The energy supplied to produce these charged clusters/droplets as well as their size and time available for desolvation are determining factors in the charge states of the ions observed. Further, charged droplets/clusters may be a common link for ionization of nonvolatile compounds by a variety of MS ionization methods, including MALDI and LSI.

  12. Fabrication of the prototype 201.25 mhz cavity for a muon ionization cooling experiment

    SciTech Connect

    Rimmer, R.A.; Manning, S.; Manus, R.; Phillips, L.; Stirbet, M.; Worland, K.; Wu, G.; Li, D.; MacGill, R.; Staples, J.; Virostek, S.; Zisman, M.S.; Taminger, K.; Hafley, R.; Martin, R.; Summers, D.; Reep, M.

    2005-05-20

    We describe the fabrication and assembly of the first prototype 201. 25 MHz copper cavity for the muon ionization cooling experiment (MICE). This cavity was developed by the US MUCOOL collaboration and will be tested in the new MUCOOL Test Area at Fermilab. We outline the component and subassembly fabrication steps and the various metal forming and joining methods used to produce the final cavity shape. These include spinning, brazing, TIG welding, electron beam welding, electron beam annealing and deep drawing. Some of the methods developed for this cavity are novel and offer significant cost savings over conventional methods.

  13. Fabrication of the Prototype 201.25 MHz Cavity for a Muon Ionization Cooling Experiment

    SciTech Connect

    R.A. Rimmer; S. Manning; R. Manus; L. Phillips; M. Stirbet; K. Worland; G. Wu; D. Li; R. MacGill; J. Staples; S. Virostek; M. Zisman; K. Taminger; R. Hafley; R. Martin; D. Summers; M. Reep

    2005-05-01

    We describe the fabrication and assembly of the first prototype 201.25 MHz copper cavity for the muon ionization cooling experiment (MICE). This cavity was developed by the US MUCOOL collaboration and will be tested in the new MUCOOL Test Area at Fermilab. We outline the component and subassembly fabrication steps and the various metal forming and joining methods used to produce the final cavity shape. These include spinning, brazing, TIG welding, electron beam welding, electron beam annealing and deep drawing. Some of the methods developed for this cavity are novel and offer significant cost savings over conventional construction methods.

  14. Epicyclic helical channels for parametric resonance ionization cooling

    SciTech Connect

    Johson, Rolland Paul; Derbenev, Yaroslav

    2015-08-23

    Proposed next-generation muon colliders will require major technical advances to achieve rapid muon beam cooling requirements. Parametric-resonance Ionization Cooling (PIC) is proposed as the final 6D cooling stage of a high-luminosity muon collider. In PIC, a half-integer parametric resonance causes strong focusing of a muon beam at appropriately placed energy absorbers while ionization cooling limits the beam’s angular spread. Combining muon ionization cooling with parametric resonant dynamics in this way should then allow much smaller final transverse muon beam sizes than conventional ionization cooling alone. One of the PIC challenges is compensation of beam aberrations over a sufficiently wide parameter range while maintaining the dynamical stability with correlated behavior of the horizontal and vertical betatron motion and dispersion. We explore use of a coupling resonance to reduce the dimensionality of the problem and to shift the dynamics away from non-linear resonances. PIC simulations are presented.

  15. A gas chromatographic-positive ion chemical ionization-mass spectrometric method for the determination of I-alpha-acetylmethadol (LAAM), norLAAM, and dinorLAAM in plasma, urine, and tissue.

    PubMed

    Moody, D E; Crouch, D J; Sakashita, C O; Alburges, M E; Minear, K; Schulthies, J E; Foltz, R L

    1995-10-01

    l-alpha-Acetylmethadol (LAAM) is approved as a substitute for methadone for the treatment of opiate addiction. Analytical methods are needed to quantitate LAAM and its two psychoactive metabolites, norLAAM and dinorLAAM, to support pharmacokinetic and other studies. We developed a gas chromatographic-positive ion chemical ionization-mass spectrometric method for these analyses. The method uses 0.5 mL urine or 1.0 mL plasma or tissue homogenate, deuterated (d3) isotopomers as internal standards, methanolic denaturation of protein (for plasma and tissue), and extraction of the buffered sample with n-butyl chloride. For tissue homogenates, an acidic back extraction is included. norLAAM and dinorLAAM were derivatized with trifluoroacetic anhydride. Chromatographic separation of LAAM and derivatized norLAAM and dinorLAAM is achieved with a 5% phenyl methylsilicone capillary column. Positive ion chemical ionization detection using methane-ammonia as the reagent gas produces abundant protonated ions (MH+) for LAAM (m/z 354) and LAAM-d3 (m/z 357) and ammonia adduct ions (MNH4+) for the derivatized norLAAM (m/z 453), norLAAM-d3 (m/z 45 6), dinorLAAM (m/z 439), and dinorLAAM-d3 (m/z 442). The linear range of the calibration curves were matrix dependent: 5-300 ng/mL for plasma, 10-1000 ng/mL for urine, and 10-600 ng/g for tissue homogenates. The low calibrator was the validated limit of quantitation for that matrix. The method is precise and accurate with percent coefficients of variation and percent of targets within 13%. The method was applied to the analysis of human urine and plasma samples; rat plasma, liver, and brain samples; and human liver microsomes following incubation with LAAM.

  16. Effect of ionizing radiation on polyaniline solutions

    NASA Astrophysics Data System (ADS)

    Wolszczak, M.; Kroh, J.; Abdel-Hamid, M. M.

    1996-06-01

    This communication presents the optical studies associated with transition doped (metallic)-neutral (semiconductor or insulator) state for conducting polymers. Special attention is focused on the electronic properties of polyaniline. The interconversion of different oxidation states of polyanilines has been studied by chemical and radiolytic methods. The polyaniline system is described by three sets of chromophores of three different oxidation states: fully reduced leucoemeraldine base (LB), partially oxidized emeraldine base (EB), and fully oxidized pernigraniline (PB). Each oxidation state can exist in its protonated form by treatment with an acid. All members of polyaniline family are spectroscopically distinguishable. The radiolytic study presents evidence that the polyaniline can exist in a continuum of oxidation states. The highly conducting form of polymer, i.e. emeraldine salt can be converted by using ionizing radiation into leucoemeraldine salt. The leucoemeraldine base is the final product of radiolysis of emeraldine base solution. The fully oxidized form of polyaniline can also be obtained by the irradiation of EB in the presence of CCl 4 or chlorobenzene.

  17. Electron impact ionization of the gas-phase sorbitol

    NASA Astrophysics Data System (ADS)

    Chernyshova, Irina; Markush, Pavlo; Zavilopulo, Anatoly; Shpenik, Otto

    2015-03-01

    Ionization and dissociative ionization of the sorbitol molecule by electron impact have been studied using two different experimental methods. In the mass range of m/ z = 10-190, the mass spectra of sorbitol were recorded at the ionizing electron energies of 70 and 30 eV. The ion yield curves for the fragment ions have been analyzed and the appearance energies of these ions have been determined. The relative total ionization cross section of the sorbitol molecule was measured using monoenergetic electron beam. Possible fragmentation pathways for the sorbitol molecule were proposed.

  18. A qualitative and quantitative laser-based computer-aided flow visualization method. M.S. Thesis, 1992 Final Report

    NASA Technical Reports Server (NTRS)

    Canacci, Victor A.; Braun, M. Jack

    1994-01-01

    The experimental approach presented here offers a nonintrusive, qualitative and quantitative evaluation of full field flow patterns applicable in various geometries in a variety of fluids. This Full Flow Field Tracking (FFFT) Particle Image Velocimetry (PIV) technique, by means of particle tracers illuminated by a laser light sheet, offers an alternative to Laser Doppler Velocimetry (LDV), and intrusive systems such as Hot Wire/Film Anemometry. The method makes obtainable the flow patterns, and allows quantitative determination of the velocities, accelerations, and mass flows of an entire flow field. The method uses a computer based digitizing system attached through an imaging board to a low luminosity camera. A customized optical train allows the system to become a long distance microscope (LDM), allowing magnifications of areas of interest ranging up to 100 times. Presented in addition to the method itself, are studies in which the flow patterns and velocities were observed and evaluated in three distinct geometries, with three different working fluids. The first study involved pressure and flow analysis of a brush seal in oil. The next application involved studying the velocity and flow patterns in a cowl lip cooling passage of an air breathing aircraft engine using water as the working fluid. Finally, the method was extended to a study in air to examine the flows in a staggered pin arrangement located on one side of a branched duct.

  19. A novel ultrasound-assisted back extraction reverse micelles method coupled with gas chromatography-flame ionization detection for determination of aldehydes in heated edibles oils.

    PubMed

    Ramezani, Zahra; Mirzajani, Roya; Kardani, Fatemeh

    2015-12-01

    A novel ultrasound-assisted back extraction reverse micelles coupled with gas chromatography-flame ionization detection has been developed for the extraction and determination of some short chain aldehydes in different heated edible oil samples. After the homogenization of the oil samples with Triton X-100, 200 μL of methanol was added to facilitate the phase separation. The aqueous micelle phase has been separated by centrifugation, then it was treated with a mixture of H2O: CHCl3 and ultrasonic vibration, were used to effectively back-extraction of the analytes into the chloroform phase. The sedimented organic phase was obtained after centrifugation, withdrawn into the microsyringe and directly injected into the GC-FID system. The calibration graphs were linear in the range 0.05-20 mg L(-1). The limits of detection were in the range of 0.02-0.15 mg L(-1). This procedure was successfully applied for determination of propanal, butanal, hexanal and heptanal in real heated oil samples.

  20. Development and validation of a liquid chromatography-electrospray ionization-time-of-flight mass spectrometry method for induced changes in Nicotiana attenuata leaves during simulated herbivory.

    PubMed

    Gaquerel, Emmanuel; Heiling, Sven; Schoettner, Matthias; Zurek, Gabriela; Baldwin, Ian T

    2010-09-08

    A liquid chromatography-electrospray ionization-time-of-flight mass spectrometry (HPLC/ESI-TOF-MS) procedure was developed to characterize changes induced in Nicotiana attenuata leaves 1 h and 5 days after wounding and application of Manduca sexta elicitors. The constancy of the measurement conditions was first confirmed for 22 selected analytes spanning the entire chromatogram. Using the Profile Analysis software, we extracted 367 buckets, which were analyzed by principal component analysis and two-factorial ANOVA. One hundred seventy-three buckets were found to be statistically regulated, 128 due to time effects, and 85 due to treatment effects. In vivo 15N-isotope labeling was used to facilitate the annotation and the interpretation of the fragmentation pattern of nitrogen-containing metabolites, and a correlation analysis was performed to test mathematical relationships existing among potential in-source fragments. Additionally, tandem MS measurements of the most regulated ions are presented. Altogether, this study defines a framework for the mining and annotation of major herbivory-elicited changes in Nicotiana attenuata.

  1. Phase space density as a measure of cooling performance for the international muon ionization cooling experiment

    SciTech Connect

    Berg, J. S.

    2015-05-03

    The International Muon Ionization Cooling Experiment (MICE) is an experiment to demonstrate ionization cooling of a muon beam in a beamline that shares characteristics with one that might be used for a muon collider or neutrino factory. I describe a way to quantify cooling performance by examining the phase space density of muons, and determining how much that density increases. This contrasts with the more common methods that rely on the covariance matrix and compute emittances from that. I discuss why a direct measure of phase space density might be preferable to a covariance matrix method. I apply this technique to an early proposal for the MICE final step beamline. I discuss how matching impacts the measured performance.

  2. Determination of the first ionization potential of berkelium and californium by resonance ionization mass spectroscopy

    SciTech Connect

    Nunnemann, M.; Eberhardt, K.; Erdmann, N.; Herrmann, G.; Huber, G.; Koehler, S.; Kratz, J. V.; Naehler, A.; Passler, G.; Trautmann, N.

    1997-01-15

    Resonance ionization mass spectroscopy (RIMS) is used for the precise determination of the first ionization potential (IP) of transuranium elements. Small amounts of material ({approx_equal}0.4 ng) are sufficient for these measurements due to the high sensitivity of RIMS enabling the investigation of the actinides beyond plutonium, which are accessible only in limited amounts and difficult to handle due to their high radioactivity. The method presented takes advantage of the dependence of the ionization threshold on an external static electric field. With samples of 10{sup 12} atoms of {sup 249}Bk and {sup 249}Cf experimental values for the first ionization potentials of IP{sub Bk}=49989(2) cm{sup -1} and IP{sub Cf}=50665(2) cm{sup -1} were obtained.

  3. Determination of the first ionization potential of berkelium and californium by resonance ionization mass spectroscopy

    SciTech Connect

    Nunnemann, M.; Eberhardt, K.; Erdmann, N.; Herrmann, G.; Huber, G.; Koehler, S.; Kratz, J.V.; Naehler, A.; Passler, G.; Trautmann, N.

    1997-01-01

    Resonance ionization mass spectroscopy (RIMS) is used for the precise determination of the first ionization potential ({ital IP}) of transuranium elements. Small amounts of material ({approx}0.4ng) are sufficient for these measurements due to the high sensitivity of RIMS enabling the investigation of the actinides beyond plutonium, which are accessible only in limited amounts and difficult to handle due to their high radioactivity. The method presented takes advantage of the dependence of the ionization threshold on an external static electric field. With samples of 10{sup 12} atoms of {sup 249}Bk and {sup 249}Cf experimental values for the first ionization potentials of IP{sub Bk}=49989(2)cm{sup {minus}1} and IP{sub Cf}=50665(2)cm{sup {minus}1} were obtained. {copyright} {ital 1997 American Institute of Physics.}

  4. Improved gas chromatography-negative ion chemical ionization tandem mass spectrometric method for determination of 11-nor-Δ9-tetrahydrocannabinol-9-carboxylic acid in hair using mechanical pulverization and bead-assisted liquid-liquid extraction.

    PubMed

    Kim, Jin Young; Cheong, Jae Chul; Lee, Jae Il; In, Moon Kyo

    2011-03-20

    A gas chromatography-negative ion chemical ionization tandem mass spectrometric (GC-NCI-MS/MS) method was developed and validated for the determination of 11-nor-Δ(9)-tetrahydrocannabinol-9-carboxylic acid (THC-COOH) in human hair. After decontamination, hair samples were weighed (25mg), mechanically pulverized with a bead mill, and incubated in 0.7 mL of 1.0M sodium hydroxide at 95 °C for 30 min. Bead-assisted liquid-liquid extraction was performed with n-hexane:ethyl acetate (9:1, v/v), a method developed in our laboratory. The extract was evaporated to dryness, derivatized with pentafluoropropanol and pentafluoropropionic anhydride, and analyzed by GC-MS/MS in the negative ion chemical ionization mode using methane as the reagent gas. The linear ranges were 0.05-10.0 pg/mg for THC-COOH with the coefficient of determination (r(2) = 0.9976). The intra-day and inter-day precisions were within 1.7 and 13.8%, respectively. The intra-day and inter-day accuracies were -4.8 to 10.0% and -3.9 to 3.8%, respectively. The limit of detection and quantification were 0.015 and 0.05 pg/mg, respectively. The recoveries were in the range of 79.4-87.1%. The results indicate that the proposed method is simple, rapid, accurate, and precise for determination of THC-COOH in hair. The method identified THC-COOH in hair specimens from suspected marijuana abusers.

  5. Gridded electron reversal ionizer

    NASA Technical Reports Server (NTRS)

    Chutjian, Ara (Inventor)

    1993-01-01

    A gridded electron reversal ionizer forms a three dimensional cloud of zero or near-zero energy electrons in a cavity within a filament structure surrounding a central electrode having holes through which the sample gas, at reduced pressure, enters an elongated reversal volume. The resultant negative ion stream is applied to a mass analyzer. The reduced electron and ion space-charge limitations of this configuration enhances detection sensitivity for material to be detected by electron attachment, such as narcotic and explosive vapors. Positive ions may be generated by generating electrons having a higher energy, sufficient to ionize the target gas and pulsing the grid negative to stop the electron flow and pulsing the extraction aperture positive to draw out the positive ions.

  6. Electrospray Ionization Mass Spectrometry

    SciTech Connect

    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.

  7. Hysteresis of ionization waves

    SciTech Connect

    Dinklage, A.; Bruhn, B.; Testrich, H.; Wilke, C.

    2008-06-15

    A quasi-logistic, nonlinear model for ionization wave modes is introduced. Modes are due to finite size of the discharge and current feedback. The model consists of competing coupled modes and it incorporates spatial wave amplitude saturation. The hysteresis of wave mode transitions under current variation is reproduced. Sidebands are predicted by the model and found in experimental data. The ad hoc model is equivalent to a general--so-called universal--approach from bifurcation theory.

  8. Design and validation of a high-throughput matrix-assisted laser desorption ionization time-of-flight mass spectrometry method for quantification of hepcidin in human plasma.

    PubMed

    Anderson, Damon S; Kirchner, Marc; Kellogg, Mark; Kalish, Leslie A; Jeong, Jee-Yeong; Vanasse, Gary; Berliner, Nancy; Fleming, Mark D; Steen, Hanno

    2011-11-01

    Disorders of iron metabolism affect over a billion people worldwide. The circulating peptide hormone hepcidin, the central regulator of iron distribution in mammals, holds great diagnostic potential for an array of iron-associated disorders, including iron loading (β-thalassemia), iron overload (hereditary hemochromatosis), and iron deficiency diseases. We describe a novel high-throughput matrix-assisted laser desorption ionization time-of-flight (MALDI-TOF) mass spectrometry assay for quantification of hepcidin in human plasma. This assay involves enrichment using a functionalized MALDI chip, a novel solvent-detergent precipitation buffer, and quantification using a stable isotope labeled internal standard. The linear range of hepcidin in plasma was 1-120 nM, with a low limit of quantification (LOQ) (1 nM), high accuracy (<15% relative error (RE)), and high precision (intraday average 5.52-18.48% coefficient of variation (CV) and interday 9.32-14.83% CV). The assay showed strong correlation with an established hepcidin immunoassay (Spearman; R(2) = 0.839 n = 93 ethylenediaminetetraacetic acid (EDTA) plasma). A collection of normal healthy pediatric samples (range 3.8-32.5 ng/mL; mean 12.9 ng/mL; n = 119) showed significant differences from an adult collection (range 1.8-48.7 ng/mL; mean 16.1 ng/mL; n = 95; P = 0.0096). We discuss these preliminary reference ranges and correlations with additional parameters in light of the utility and limitations of hepcidin measurements as a stand-alone diagnostic and as a tool for therapeutic intervention.

  9. Rigorous Incorporation of Tautomers, Ionization Species, and Different Binding Modes into Ligand-Based and Receptor-Based 3D-QSAR Methods

    PubMed Central

    Natesan, Senthil; Balaz, Stefan

    2013-01-01

    Speciation of drug candidates and receptors caused by ionization, tautomerism, and/or covalent hydration complicates ligand- and receptor-based predictions of binding affinities by 3-dimensional structure-activity relationships (3D-QSAR). The speciation problem is exacerbated by tendency of tautomers to bind in multiple conformations or orientations (modes) in the same binding site. New forms of the 3D-QSAR correlation equations, capable of capturing this complexity, can be developed using the time hierarchy of all steps that lie behind the monitored biological process – binding, enzyme inhibition or receptor activity. In most cases, reversible interconversions of individual ligand and receptor species can be treated as quickly established equilibria because they are finished in a small fraction of the exposure time that is used to determine biological effects. The speciation equilibria are satisfactorily approximated by invariant fractions of individual ligand and receptor species for buffered experimental or in vivo conditions. For such situations, the observed drug-receptor association constant of a ligand is expressed as the sum of products, for each ligand and receptor species pair, of the association microconstant and the fractions of involved species. For multiple binding modes, each microconstant is expressed as the sum of microconstants of individual modes. This master equation leads to new 3D-QSAR correlation equations integrating the results of all molecular simulations or calculations, which are run for each ligand-receptor species pair separately. The multispecies, multimode 3D-QSAR approach is illustrated by a ligand-based correlation of transthyretin binding of thyroxine analogs and by a receptor-based correlation of inhibition of MK2 by benzothiophenes and pyrrolopyrimidines. PMID:23170882

  10. Dynamical core polarization in strong-field ionization

    NASA Astrophysics Data System (ADS)

    Zhao, Zengxiu; Zhang, Bin; Yuan, Jianmin

    2014-05-01

    Core polarization plays an important role in both ionization and high harmonic generation processes of molecules driven by strong laser fields. With our recently developed three-dimensional time-dependent Hartree-Fock method, we investigate the orientation-dependent ionization of CO molecules. It is found that the full ionization results are in good agreement with the recent experiment. The comparisons between the full method and the single-active-orbital method show that although the core electrons are generally more tightly bound and contribute little to the total ionization yields, their dynamics cannot be ignored, which effectively modifies the behavior of electrons in the HOMO. By incorporating it into the SAO method, we identify that the dynamic core polarization plays an important role in the tunneling ionization of CO molecules, which is helpful for the future development of the tunneling ionization theory beyond the single active electron approximation. In order to further verify the role of core polarization, exact calculations are performed for the ionization of two-electron model systems by strong laser fields. The limitations of HF and the SAE are quantified and the tunneling ionization rate is shown improved with the core-polarization induced correction.

  11. Multifunctional Carbon Fiber Ionization Mass Spectrometry.

    PubMed

    Wu, Meng-Xi; Wang, Hao-Yang; Zhang, Jun-Ting; Guo, Yin-Long

    2016-10-04

    A carbon fiber ionization (CFI) technique was developed for the mass spectrometric analysis of various organic compounds with different polarities. The design of the CFI technique was based on the good compatibility and dispersion of samples and solutions in different solvents on carbon fiber. As a fast, convenient, and versatile ionization method, CFI-MS is especially efficient for analyzing many low/nonpolar organic compounds, such as polycyclic aromatic hydrocarbons, long-chain aliphatic aldehydes, sensitive steroids, terpenoids, and organometallic compounds. Some of these compounds may not be well-analyzed by electrospray ionization or electron ionization mass spectrometry. On the basis of our experimental results, the major ion formation mechanism of CFI-MS was suggested to involve desorption in a steam-distillation-like process, and then, ionization occurred mainly via corona discharge under high voltage. CFI-MS could not only work alone but also be coupled with separation techniques. It works well when coupled with supercritical fluid chromatography (SFC) as well as in the analysis of exhaled human air. The high flexibility and versatility of CFI-MS has extended its applications in many areas, such as fast chemical screening, clinical testing, and forensic analysis.

  12. Non-dissociative and dissociative ionization of a CO+ beam in intense ultrashort laser pulses

    NASA Astrophysics Data System (ADS)

    Gaire, B.; Ablikim, U.; Zohrabi, M.; Roland, S.; Carnes, K. D.; Ben-Itzhak, I.

    2011-05-01

    We have investigated the ionization of CO+ beams in intense ultrashort laser pulses. With the recent upgrades to our coincidence three-dimensional momentum imaging method we are able to measure both non-dissociative and dissociative ionization of the molecular-ion beam targets. Using CO+ as an example, we have found that non-dissociative ionization (leading to the metastable dication CO2+) involves a direct transition, i.e. the molecule is ionized with little or no internuclear distance stretch. Dissociative ionization (C+ + O+) occurs both directly and indirectly, stretching first and then ionizing. Our results show that the yield of dissociative ionization is higher than that of non-dissociative ionization and can be manipulated with the laser pulse duration by suppressing the indirect ionization path using ultrashort pulses (<=10 fs). Supported by the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy.

  13. Development and validation of a sensitive gas chromatography-ammonia chemical ionization mass spectrometry method for the determination of tabun enantiomers in hemolysed blood and plasma of different species.

    PubMed

    Tenberken, Oliver; Worek, Franz; Thiermann, Horst; Reiter, Georg

    2010-05-15

    The aim of this study was to develop and validate a fast, sensitive and easily applicable GC-MS assay for the chiral quantification of the highly toxic organophosphorus compound tabun (O-ethyl-N,N-dimethylphosphoramidocyanidate, GA) in hemolysed swine blood for further use in toxicokinetic and toxicodynamic studies. These requirements were fulfilled best by a GC-MS assay with positive chemical ionization with ammonia (GC-PCI-MS). Separation was carried out on a beta-cyclodextrin capillary column (Supelco BetaDex 225) after reversed phase (C18) solid-phase extraction. The limit of detection was 1 pg/ml for each enantiomer (approximately 500 fg on column) and the limit of quantification 5 pg/ml. The GC-PCI-MS method was applied for the quantification of tabun enantiomers in spiked swine blood after hemolysis and in spiked plasma of different species including humans.

  14. Nucleation in an Ultra Low Ionization Environment

    NASA Astrophysics Data System (ADS)

    Pedersen, J. O.; Enghoff, M. B.; Paling, S.; Svensmark, H.

    2010-12-01

    Atmospheric ions can enhance the nucleation of aerosols, as has been established by experiments, observation, and theory. In the clean marine atmosphere ionization is mainly caused by cosmic rays which in turn are controlled by the activity of the Sun, thus providing a potential link between solar activity and climate. In order to understand the effect ions may have on the production of cloud condensation nuclei the overall contribution of ion induced nucleation to the global production of secondary aerosols must be determined. One issue with determining this contribution is that several mechanisms for nucleation exist and it can be difficult to determine the relative importance of the various mechanisms in a given nucleation event when both ion induced and electrically neutral nucleation mechanisms are at work at the same time. We have carried out nucleation experiments in the Boulby Underground Laboratory, located 1100 meters below ground, thus reducing the flux of ionizing cosmic radiation by six orders of magnitude. Similarly we have reduced the gamma background by shielding the experiment in lead and copper. Finally we have used air stored for several weeks and passed through an active charcoal filter in order to reduce the Radon concentration. In this way we have been able to make nucleation experiments with very low ionizing background, meaning that we can rule out ion induced nucleation as a contributing mechanism. Our experimental setup is a 50 L electropolished stainless steel reactor at near atmospheric conditions. The chamber contains clean air with the addition of water vapor, ozone, and SO2. Using UV lights at 254 nm ozone is photolyzed, leading to the production of sulfuric acid and thus aerosols. An 18 MBq Caesium-137 gamma ray source with various amounts of lead in front allows us to alter the ionization in our chamber. By making series of nucleation bursts with varying amounts of ionizing radiation we then gauge the relative importance of ion

  15. EPA (Environmental Protection Agency) method study 24, method 601--purgeable halocarbons by the purge trap method. Final report September 1979-December 1982

    SciTech Connect

    Warner, B.J.; Friedman, C.S.; Metcalfe, L.; Morrow, T.J.; Snyder, A.D.

    1984-07-01

    The experimental design and results of a validations study for an analytical method to detect 29 halocarbons in water are described herein. In Method 601, the halocarbons are purged by an inert gas which is bubbled through the aqueous sample. The vapors are then trapped in a short column containing a suitable sorbent. The trapped components are then thermally desorbed onto the head of a chromatographic column and measured by means of halide specific detector. In this study, the 29 halocarbon compounds were divided into three separate mixes to minimize interferences from co-eluting peaks. The spiking solutions employed in the study contained the 29 halocarbons at six concentrations. Six water matrices were used in the study: distilled water, drinking water, and a surface water all supplied by the cooperating laboratories; and three industrial wastewaters supplied by the Monsanto Company. Statistical analyses and conclusions in this report are based on analytical data obtained by 20 collaborating laboratories.

  16. Calcium: total or ionized?

    PubMed

    Schenck, Patricia A; Chew, Dennis J

    2008-05-01

    Measurement of serum total calcium (tCa) has been relied on for assessment of calcium status, despite the fact that it is the ionized calcium (iCa) fraction that has biologic activity. Serum tCa does not accurately predict iCa status in many clinical conditions. For accurate assessment of iCa status, iCa should be directly measured. Anaerobic measurement of serum iCa under controlled conditions provides the most reliable assessment of calcium status; aerobic measurement of iCa with species-specific pH correction is highly correlated with anaerobic measurements.

  17. Investigation of Ionization and Dissociation Processes Produced by Electron Impact on Molecules.

    NASA Astrophysics Data System (ADS)

    Ma, Ce.

    1990-01-01

    Absolute electron impact partial ionization cross sections for Ar and CF_4 were measured by use of a newly built pulsed electron beam time-of-flight apparatus for incident electron energies from thresholds to 500 eV. The apparatus employed consisted of a low energy electron gun, 40 mm diameter ion extraction gold screens, time-of-flight drift tubes, micro-channel plate detectors and fast time to digital electronics. A pulsed electron beam was obtained by pulsing the control grid of the electron gun. Both beam - beam experiments and beam - constant gas target pressure experiments were carried out to determine the absolute partial ionization cross sections for Ar ^{+}, Ar^{2+ }, Ar^{3+} from an argon gas target, and for CF_sp {3}{+}, CF_sp {2}{+}, CF_sp {3}{2+}, CF^ {+}, CF_sp{2} {2+}, F^{+}, C^{+} from a CF _4 gas target. By charge weighted summing of the partial ionization cross sections, the total ionization cross sections of Ar and CF_4 were obtained. The total neutral dissociation cross section for CF_4 was inferred from the total ionization cross section and the total dissociation cross section. Also, a new method for determining absolute total electron scattering cross sections with corrections for forward scattering was developed. The electron beam current was measured as function of gas target pressure and the scattering path length. The total electron scattering cross section obtained from the new model is as much as 6% larger than the cross section derived from the traditional Beer's law for Ar at an incident electron energy of 300 eV. This method is capable of yielding reliable total cross section up to 10 keV. Finally, a study of the secondary electron emission as a function of ejection angle and ejection energy for CO, the doubly differential cross section (DDCS), is presented.

  18. Above-threshold ionization through Rydberg state population

    NASA Astrophysics Data System (ADS)

    Xin, Pei Pei; Yuan, Ming Hu; Wang, Han Mu; Yang, Hai Feng; Liu, Hong Ping

    2017-04-01

    We present a theoretical scenario for the atomic above-threshold ionization (ATI) in an intense laser field by investigating the Rydberg state population in real time. Rather than merely viewing the final distribution of photoelectron yield directly, we monitor the Rydberg state population by projecting the time-dependent wave function onto the bound eigen-states. The calculation shows that the population of resonant Rydberg states is closely related to the peaks in photoelectron kinetic energy spectrum (PKES). For a hydrogen atom, the highest populated Rydberg states are degenerated, exactly corresponding to the first ATI peak if one additional photon is absorbed. While for non-hydrogen atoms, e.g., Ar, the highest Rydberg states are mainly populated on specific states, e.g., 3 d (5 s) and 4f in our case, also giving exact peak positions in PKES, where the state identification is obtained by the angular momentum resolved distribution of excited Rydberg states. This method provides an easy to understand picture for the resonance-enhanced effects in ATI as well as the role of atomic core potential in strong-field ionization.

  19. Comparison of ultra-high performance methods in liquid and supercritical fluid chromatography coupled to electrospray ionization - mass spectrometry for impurity profiling of drug candidates.

    PubMed

    Lemasson, Elise; Bertin, Sophie; Hennig, Philippe; Lesellier, Eric; West, Caroline

    2016-11-11

    Impurity profiling of organic products synthesized as possible drug candidates represents a major analytical challenge. Complementary analytical methods are required to ensure that all impurities are detected. Both high-performance liquid chromatography (HPLC) and supercritical fluid chromatography (SFC) can be used for this purpose. In this study, we compared ultra-high performance HPLC (UHPLC) and ultra-high performance SFC (UHPSFC) using a large dataset of 140 pharmaceutical compounds. Four previously optimized methods (two on each technique) were selected to ensure fast high-resolution separations. The four methods were evaluated based on response rate, peak capacity, peak shape and capability to detect impurities (UV). The orthogonality between all methods was also assessed. The best UHPLC method and UHPSFC methods provided comparable quality for the 140 compounds included in this study. Moreover, they were found to be highly orthogonal. At last, the potential of the combined use of UHPLC and UHPSFC for impurity profiling is illustrated with practical examples.

  20. Assessment of nonequilibrium radiation computation methods for hypersonic flows

    NASA Technical Reports Server (NTRS)

    Sharma, Surendra

    1993-01-01

    The present understanding of shock-layer radiation in the low density regime, as appropriate to hypersonic vehicles, is surveyed. Based on the relative importance of electron excitation and radiation transport, the hypersonic flows are divided into three groups: weakly ionized, moderately ionized, and highly ionized flows. In the light of this division, the existing laboratory and flight data are scrutinized. Finally, an assessment of the nonequilibrium radiation computation methods for the three regimes in hypersonic flows is presented. The assessment is conducted by comparing experimental data against the values predicted by the physical model.

  1. Simultaneous quantification of acetaminophen and five acetaminophen metabolites in human plasma and urine by high-performance liquid chromatography-electrospray ionization-tandem mass spectrometry: Method validation and application to a neonatal pharmacokinetic study.

    PubMed

    Cook, Sarah F; King, Amber D; van den Anker, John N; Wilkins, Diana G

    2015-12-15

    Drug metabolism plays a key role in acetaminophen (paracetamol)-induced hepatotoxicity, and quantification of acetaminophen metabolites provides critical information about factors influencing susceptibility to acetaminophen-induced hepatotoxicity in clinical and experimental settings. The aims of this study were to develop, validate, and apply high-performance liquid chromatography-electrospray ionization-tandem mass spectrometry (HPLC-ESI-MS/MS) methods for simultaneous quantification of acetaminophen, acetaminophen-glucuronide, acetaminophen-sulfate, acetaminophen-glutathione, acetaminophen-cysteine, and acetaminophen-N-acetylcysteine in small volumes of human plasma and urine. In the reported procedures, acetaminophen-d4 and acetaminophen-d3-sulfate were utilized as internal standards (IS). Analytes and IS were recovered from human plasma (10μL) by protein precipitation with acetonitrile. Human urine (10μL) was prepared by fortification with IS followed only by sample dilution. Calibration concentration ranges were tailored to literature values for each analyte in each biological matrix. Prepared samples from plasma and urine were analyzed under the same HPLC-ESI-MS/MS conditions, and chromatographic separation was achieved through use of an Agilent Poroshell 120 EC-C18 column with a 20-min run time per injected sample. The analytes could be accurately and precisely quantified over 2.0-3.5 orders of magnitude. Across both matrices, mean intra- and inter-assay accuracies ranged from 85% to 112%, and intra- and inter-assay imprecision did not exceed 15%. Validation experiments included tests for specificity, recovery and ionization efficiency, inter-individual variability in matrix effects, stock solution stability, and sample stability under a variety of storage and handling conditions (room temperature, freezer, freeze-thaw, and post-preparative). The utility and suitability of the reported procedures were illustrated by analysis of pharmacokinetic samples

  2. Comparison of in-gel and on-membrane digestion methods at low to sub-pmol level for subsequent peptide and fragment-ion mass analysis using matrix-assisted laser-desorption/ionization mass spectrometry.

    PubMed

    Courchesne, P L; Luethy, R; Patterson, S D

    1997-01-01

    The success of the mass spectrometric-based approaches for the identification of gel-separated proteins relies upon recovery of peptides, without high levels of ionization-suppressing contaminants, in solvents compatible with the mass spectrometer being employed. We sought to determine whether in-gel or on-membrane digestion provided a significant advantage when low to sub-pmol quantities of gel-separated proteins were analyzed by matrix-assisted laser-desorption/ionization mass spectrometry (MALDI-MS) with respect to the number and size of released peptides. Serial dilutions of five standard proteins of M(r) 17,000 to 97,000 (from 16 pmol to 125 fmol) were electrophoresed and subjected to in-gel digestion (using a microcolumn clean-up protocol, Courchesne, P.L. and Patterson, S. D., BioTechniques, 1997, in press) or on-membrane digestion following blotting to the PVDF-based membranes, Immobilon-P and Immobilon-CD. Peptide maps were able to be obtained for all proteins at the detection limit of each method (Immobilon-P and Immobilon-CD, 0.5 pmol; and in-gel, 125 fmol), and searches of Swiss-Prot or a non-redundant database (> 193000 entries) successfully identified all of the proteins, except beta-casein. Fragment-ion spectra using a curved-field reflector MALDI-MS were obtained from more than one peptide per protein at loads down to 250 fmol (except beta-casein). Using the uninterpreted data, a search of the nonredundant database and a six-way translation of GenBank dbEST (> 2,208,000 entries total) was able to identify myoglobin, carbonic anhydrase II, and phosphorylase b.

  3. The Final Count Down: A Review of Three Decades of Flight Controller Training Methods for Space Shuttle Mission Operations

    NASA Technical Reports Server (NTRS)

    Dittemore, Gary D.; Bertels, Christie

    2011-01-01

    Operations of human spaceflight systems is extremely complex, therefore the training and certification of operations personnel is a critical piece of ensuring mission success. Mission Control Center (MCC-H), at the Lyndon B. Johnson Space Center, in Houston, Texas manages mission operations for the Space Shuttle Program, including the training and certification of the astronauts and flight control teams. As the space shuttle program ends in 2011, a review of how training for STS-1 was conducted compared to STS-134 will show multiple changes in training of shuttle flight controller over a thirty year period. This paper will additionally give an overview of a flight control team s makeup and responsibilities during a flight, and details on how those teams have been trained certified over the life span of the space shuttle. The training methods for developing flight controllers have evolved significantly over the last thirty years, while the core goals and competencies have remained the same. In addition, the facilities and tools used in the control center have evolved. These changes have been driven by many factors including lessons learned, technology, shuttle accidents, shifts in risk posture, and generational differences. A primary method used for training Space Shuttle flight control teams is by running mission simulations of the orbit, ascent, and entry phases, to truly "train like you fly." The reader will learn what it is like to perform a simulation as a shuttle flight controller. Finally, the paper will reflect on the lessons learned in training for the shuttle program, and how those could be applied to future human spaceflight endeavors.

  4. SW-846 Test Method 8276: Toxaphene and Toxaphene Congeners By Gas Chromatography/Negative Ion Chemical Ionization Mass Spectrometry (GC-NICI/MS)

    EPA Pesticide Factsheets

    determine the concentrations of various toxaphene congeners and technical toxaphene (with other toxaphene congeners and compounds from Method 8081) in extracts from solidliquid matrices, using fused-silica, open-tubular capillary columns with (NICI/MS).

  5. Alloy nanoparticle synthesis using ionizing radiation

    DOEpatents

    Nenoff, Tina M.; Powers, Dana A.; Zhang, Zhenyuan

    2011-08-16

    A method of forming stable nanoparticles comprising substantially uniform alloys of metals. A high dose of ionizing radiation is used to generate high concentrations of solvated electrons and optionally radical reducing species that rapidly reduce a mixture of metal ion source species to form alloy nanoparticles. The method can make uniform alloy nanoparticles from normally immiscible metals by overcoming the thermodynamic limitations that would preferentially produce core-shell nanoparticles.

  6. Ionizing radiation and heart risks.

    PubMed

    Bhattacharya, Souparno; Asaithamby, Aroumougame

    2016-10-01

    Cardiovascular disease and cancer are the two leading causes of morbidity and mortality worldwide. As advancements in radiation therapy (RT) have significantly increased the number of cancer survivors, the risk of radiation-induced cardiovascular disease (RICD) in this group is a growing concern. Recent epidemiological data suggest that accidental or occupational exposure to low dose radiation, in addition to therapeutic ionizing radiation, can result in cardiovascular complications. The progression of radiation-induced cardiotoxicity often takes years to manifest but is also multifaceted, as the heart may be affected by a variety of pathologies. The risk of cardiovascular disease development in RT cancer survivors has been known for 40 years and several risk factors have been identified in the last two decades. However, most of the early work focused on clinical symptoms and manifestations, rather than understanding cellular processes regulating homeostatic processes of the cardiovascular system in response to radiation. Recent studies have suggested that a different approach may be needed to refute the risk of cardiovascular disease following radiation exposure. In this review, we will focus on how different radiation types and doses may induce cardiovascular complications, highlighting clinical manifestations and the mechanisms involved in the pathophysiology of radiation-induced cardiotoxicity. We will finally discuss how current and future research on heart development and homeostasis can help reduce the incidence of RICD.

  7. Ionization and Triggered Star Formation

    NASA Astrophysics Data System (ADS)

    Gritschneder, M.; Lin, D. N. C.; Murray, S. D.; Burkert, A.

    2011-12-01

    We perform a set of high resolution simulations on the impact of the UV-radiation of massive stars on the turbulent interstellar medium with the tree-SPH code iVINE. This parameter study includes different levels and driving scales of the turbulence, different ionizing flux as well as different temperatures and densities of the cold gas. We find a clear correlation between the initial state of the turbulent cloud and the final morphology and physical properties of the structures adjacent to the HII region. From the simulations we are able to derive a criterion for the formation of pillar-like structures and thus the formation of cores and stars. Gravitational collapse occurs regularly on the tips of the structures. We also derive column densities and velocity profiles of our simulations and find these to be in very good agreement with the observations of trunks and cores. In addition, we investigate the further evolution of the pillars once the massive star explodes. This leads to a supernova triggered scenario for the formation of our Solar System.

  8. Method for discriminative particle selection

    DOEpatents

    Post, Richard F.

    1992-01-01

    The invention is a method and means for separating ions or providing an ion beam. The invention generates ions of the isotopes to be separated, and then provides a traveling electric potential hill created by a sequential series of quasi static electric potential hills. By regulating the velocity and potential amplitude of the traveling electric potential hill ionized isotopes are selectively positively or negatively accelerated. Since the ionized isotopes have differing final velocities, the isotopes may be collected separately or used to produce an ion beam of a selected isotope.

  9. Numerical Modeling of Ion Dynamics in a Carbon Nanotube Field-Ionized Thruster

    DTIC Science & Technology

    2011-12-01

    ION SOURCES Ions may be produced by several methods: photo-ionization, electron bombardment, field ionization, surface ionization, and thermionic ...OF ION DYNAMICS IN A CARBON NANOTUBE FIELD -IONIZED ION THRUSTER by Sarah F. Michael December 2011 Thesis Advisors: Dragoslav Grbovic...December 2011 3. REPORT TYPE AND DATES COVERED Master’s Thesis 4. TITLE AND SUBTITLE Numerical Modeling of Ion Dynamics in a Carbon Nanotube Field

  10. New ionization processes and applications for use in mass spectrometry.

    PubMed

    Trimpin, Sarah; Wang, Beixi; Lietz, Christopher B; Marshall, Darrell D; Richards, Alicia L; Inutan, Ellen D

    2013-01-01

    Mass spectrometry (MS) continues to improve at a rapid pace as most prominently witnessed for mass analyzers and fragmentation technology. Ionization methods have also seen resurgence with ambient ionization approaches gaining a foothold because they often provide a convenient and direct means of sample analysis. Nevertheless, a vast majority of biological analyses using MS apply electrospray ionization or matrix-assisted laser desorption/ionization, methods introduced in the 1980s, or variants thereof. To further advance applications by MS such as protein characterization, and, for example, addressing their location within specific cell types, the progress in mass analyzer and fragmentation technology needs to be matched with similar advances in ionization technology. It is imperative to seek ionization methods that more efficiently convert molecules, to gas-phase ions in a way that allows high transfer efficiency to the mass analyzer and subsequently the detector to achieve a more complete picture of sample composition. This review provides a snapshot of fundamental aspects of new ionization methods and potential biological and medical applications.

  11. Mass analyzed threshold ionization (MATI) with VUV radiation

    NASA Astrophysics Data System (ADS)

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

    2009-05-01

    Mass analyzed threshold ionization is a combination of threshold ionization spectroscopy with mass spectrometry. Similar to zero electron kinetic energy (ZEKE), MATI spectroscopy takes advantage of the field ionization of long lived high Rydberg states to obtain an ionization threshold and perform spectroscopy on the resulting cation. MATI at the synchrotron utilizing tunable VUV light opens up a novel way to perform spectroscopy on ions and improve the resolution in ionization energy determination in comparison with conventional photoionization efficiency curve measurements. This method is implemented at the Advanced Light Source and vibrationally-resolved MATI spectra for simple di- and polyatomic molecules (O2, N2, H2O, N2O, C2H2, and C6H6) are measured. This preliminary work allows us to test the applicability of MATI at a synchrotron and prepare for investigation of more complex systems such as mixtures of molecules, isomers and clusters.

  12. Multiple-ionization of xenon atoms by positron impact

    NASA Technical Reports Server (NTRS)

    Kruse, Georg; Quermann, Andreas; Raith, Wilhelm; Sinapius, Guenther

    1990-01-01

    Previously the cross sections were measured for positronium formation and single ionization by positron impact for He and H2. With the same apparatus, slightly modified, the single and multiple ionization of xenon is now investigated. The principle of the method is the detection of ion and positron in time correlation which allows the discrimination of positronium formation (whereby the positron vanishes) and the destinction of single, double and triple impact ionization (which lead to different ion flight times from the gas target to the ion detector). By using secondary electrons from the positron moderator, similar measurements were performed on electron impact ionization. By comparing with literature values for electron multiple ionization cross sections, the detection-probability ratios were determined for the differently charged ions.

  13. Signatures of bound-state-assisted nonsequential double ionization

    SciTech Connect

    Sukiasyan, Suren; McDonald, Chris; Van Vlack, Cole; Destefani, Carlos; Fennel, Thomas; Brabec, Thomas; Ivanov, Misha

    2009-07-15

    The time-dependent multiconfiguration Hartree method is optimized for intense laser dynamics and applied to nonsequential double ionization in a two-electron diatomic model molecule with two dimensions per electron. The efficiency of our method brings these calculations from the realm of large scale computation facilities to single processor machines. The resulting two-electron spectrum exhibits pronounced signatures from which the ionic bound states involved in nonsequential double ionization are retrieved with the help of a semiclassical model. A mechanism for the ionization dynamics is suggested.

  14. Effective novel dissociation methods for intact protein: heat-assisted nozzle-skimmer collisionally induced dissociation and infrared multiphoton dissociation using a Fourier transform ion cyclotron resonance mass spectrometer equipped with a micrometal electrospray ionization emitter.

    PubMed

    Yamada, Naoyuki; Suzuki, Ei-Ichiro; Hirayama, Kazuo

    2006-01-01

    Heating of a nano-electrospray ionization (nanoESI) source can improve the dissociation efficiency of collisionally induced dissociation (CID) methods, such as nozzle-skimmer CID (NS-CID) and infrared multiphoton dissociation (IRMPD), for large biomolecule fragmentation. A metal nanoESI emitter was used due to its resistance to heating above 250 degrees C. This novel method for the dissociation of large biomolecular ions is termed "heat-assisted NS-CID" (HANS-CID) or "heat-assisted IRMPD" (HA-IRMPD). Multiple charged nonreduced protein ions (8.6 Da ubiquitin, 14 kDa lysozyme, and 67 kDa bovine serum albumin) were directly dissociated by HANS-CID and HA-IRMPD to effectively yield fragment ions that could be assigned. The fragment ions of ubiquitin by HANS-CID can be analyzed by tandem mass spectrometry (MS/MS) using sustained off-resonance irradiation CID (SORI-CID) and IRMPD. In addition, a native large protein, immunoglobulin G (IgG, 150 kDa), was efficiently dissociated by HA-IRMPD. The product ions that were obtained reflected the domain structure of IgG. However, these product ions of IgG and lysozyme were not dissociated by MS/MS using the same heating energetic methods such as IRMPD and SORI-CID.

  15. A validated method for the determination of nicotine, cotinine, trans-3'-hydroxycotinine, and norcotinine in human plasma using solid-phase extraction and liquid chromatography-atmospheric pressure chemical ionization-mass spectrometry.

    PubMed

    Kim, Insook; Huestis, Marilyn A

    2006-06-01

    A liquid chromatographic-mass spectrometric method for the simultaneous determination of nicotine, cotinine, trans-3'-hydroxycotinine, and norcotinine in human plasma was developed and validated. Analytes and deuterated internal standards were extracted from human plasma using solid-phase extraction and analyzed by liquid chromatography/atmospheric pressure chemical ionization-mass spectrometric detection with selected ion monitoring (SIM). Limits of detection and quantification were 1.0 and 2.5 ng/ml, respectively, for all analytes. Linearity ranged from 2.5 to 500 ng/ml of human plasma using a weighting factor of 1/x; correlation coefficients for the calibration curves were > 0.99. Intra- and inter-assay precision and accuracy were < 15.0%. Recoveries were 108.2-110.8% nicotine, 95.8-108.7% cotinine, 90.5-99.5% trans-3'-hydroxycotinine, and 99.5-109.5% norcotinine. The method was also partially validated in bovine serum, owing to the difficulty of obtaining nicotine-free human plasma for the preparation of calibrators and quality control (QC) samples. This method proved to be robust and accurate for the quantification of nicotine, cotinine, trans-3'-hydroxycotinine, and norcotinine in human plasma collected in clinical studies of acute nicotine effects on brain activity and on the development of neonates of maternal smokers.

  16. A simultaneous determination method for 5-fluorouracil and its metabolites in human plasma with linear range adjusted by in-source collision-induced dissociation using hydrophilic interaction liquid chromatography-electrospray ionization-tandem mass spectrometry.

    PubMed

    Ishii, Hideaki; Shimada, Miki; Yamaguchi, Hiroaki; Mano, Nariyasu

    2016-11-01

    We applied a new technique for quantitative linear range shift using in-source collision-induced dissociation (CID) to complex biological fluids to demonstrate its utility. The technique was used in a simultaneous quantitative determination method of 5-fluorouracil (5-FU), an anticancer drug for various solid tumors, and its metabolites in human plasma by liquid chromatography-electrospray ionization-tandem mass spectrometry (LC/ESI-MS/MS). To control adverse effects after administration of 5-FU, it is important to monitor the plasma concentration of 5-FU and its metabolites; however, no simultaneous determination method has yet been reported because of vastly different physical and chemical properties of compounds. We developed a new analytical method for simultaneously determining 5-FU and its metabolites in human plasma by LC/ESI-MS/MS coupled with the technique for quantitative linear range shift using in-source CID. Hydrophilic interaction liquid chromatography using a stationary phase with zwitterionic functional groups, phosphorylcholine, was suitable for separation of 5-FU from its nucleoside and interfering endogenous materials. The addition of glycerin into acetonitrile-rich eluent after LC separation improved the ESI-MS response of high polar analytes. Based on the validation results, linear range shifts by in-source CID is the reliable technique even with complex biological samples such as plasma. Copyright © 2016 John Wiley & Sons Ltd.

  17. Determination of 2-, 3-, 4-methylpentanoic and cyclohexanecarboxylic acids in wine: development of a selective method based on solid phase extraction and gas chromatography-negative chemical ionization mass spectrometry and its application to different wines and alcoholic beverages.

    PubMed

    Gracia-Moreno, Elisa; Lopez, Ricardo; Ferreira, Vicente

    2015-02-13

    A method to analyse 2-methylpentanoic, 3-methylpentanoic and 4-methylpentanoic acids as well as cyclohexanecarboxylic acid has been developed and applied to wine and other alcoholic beverages. Selective isolation with solid phase extraction, derivatization with 2,3,4,5,6-pentafluorobenzyl bromide at room temperature for 30 minutes, and further analysis by gas chromatography-mass spectrometry in negative chemical ionization mode provides detection limits between 0.4 and 2.4 ng/L. Good linearity up to 3.6 μg/L, satisfactory reproducibility (RSD<10%) and signal recovery of around 100% represent a robust method of analysis. Concentration data of these analytes in wine and other alcoholic beverages are reported for the first time. The levels found ranged from the method detection limits to 2630 ng/L, 2040 ng/L and 3810 ng/L for 2-, 3- and 4-methylpentanoic acids, respectively, and to 1780 ng/L for cyclohexanecarboxylic acid. There are significant differences depending on the type of wine or beverage. Distilled beverages, beer and aged wines have higher contents in methylpentanoic and cyclohexanecarboxylic acids.

  18. Vitek MS matrix-assisted laser desorption ionization-time of flight mass spectrometry for identifying respiratory bacterial pathogens: a fast and efficient method.

    PubMed

    López-Fabal, Ma Fátima; Gómez-Garcés, José Luís; López-Hontangas, José Luís; Sanz, Nuria; Muñoz, Carmen; Regodón, Marta

    2015-10-01

    Mass spectrometry has become a reference resource for identifying microorganisms in clinical microbiology services. One hundred and fifty one clinical isolates were selected from respiratory specimens routinely identified as Streptococcus pneumoniae (43), Haemophilus influenzae (64) and Moraxella catarrhalis (44). These identifications were compared with other phenotypical methods and mass spectrometry (MALDI-TOF-MS Vitek). Result discrepancies were assessed by 16S rRNA sequencing. Thirty-eight of the 43 strains of S. pneumoniae (86%) were identified as such using phenotypical methods and spectrometry. In 5 cases, MALDI-TOF identified 4 of them as Streptococcus pseudopneumoniae and 1 as S. mitis/oralis. Forty-eight of the 64 strains were identified as H. influenzae (75%) using biochemical identification systems and automated identification systems, whereas MALDI-TOF-MS Vitek identified 51 strains (79%) as such. Conventional methods and spectrometry identified all the 40 strains tested (100%) as M. catarrhalis. All strains with discrepant results were sequenced, and in all cases, the identification obtained by spectrometry was confirmed. The results obtained in this study show that mass spectrometry provides identification of these bacteria faster and in a more reliable way than those based on conventional phenotypical methods.

  19. Ionizing radiation detector

    DOEpatents

    Thacker, Louis H.

    1990-01-01

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

  20. Multiphoton ionization of Uracil

    NASA Astrophysics Data System (ADS)

    Prieto, Eladio; Martinez, Denhi; Guerrero, Alfonso; Alvarez, Ignacio; Cisneros, Carmen

    2016-05-01

    Multiphoton ionization and dissociation of Uracil using a Reflectron time of flight spectrometer was performed along with radiation from the second harmonic of a Nd:YAG laser. Uracil is one of the four nitrogen bases that belong to RNA. The last years special interest has been concentrated on the study of the effects under UV radiation in nucleic acids1 and also in the role that this molecule could have played in the origin and development of life on our planet.2 The MPI mass spectra show that the presence and intensity of the resulting ions strongly depend on the density power. The identification of the ions in the mass spectra is presented. The results are compared with those obtained in other laboratories under different experimental conditions and some of them show partial agreement.3 The present work was supported by CONACYT-Mexico Grant 165410 and DGAPA UNAM Grant IN101215 and IN102613.

  1. Ionized cluster beam deposition

    NASA Technical Reports Server (NTRS)

    Kirkpatrick, A. R.

    1983-01-01

    Ionized Cluster Beam (ICB) deposition, a new technique originated by Takagi of Kyoto University in Japan, offers a number of unique capabilities for thin film metallization as well as for deposition of active semiconductor materials. ICB allows average energy per deposited atom to be controlled and involves impact kinetics which result in high diffusion energies of atoms on the growth surface. To a greater degree than in other techniques, ICB involves quantitative process parameters which can be utilized to strongly control the characteristics of films being deposited. In the ICB deposition process, material to be deposited is vaporized into a vacuum chamber from a confinement crucible at high temperature. Crucible nozzle configuration and operating temperature are such that emerging vapor undergoes supercondensation following adiabatic expansion through the nozzle.

  2. A novel automated hydrophilic interaction liquid chromatography method using diode-array detector/electrospray ionization tandem mass spectrometry for analysis of sodium risedronate and related degradation products in pharmaceuticals.

    PubMed

    Bertolini, Tiziana; Vicentini, Lorenza; Boschetti, Silvia; Andreatta, Paolo; Gatti, Rita

    2014-10-24

    A simple, sensitive and fast hydrophilic interaction liquid chromatography (HILIC) method using ultraviolet diode-array detector (UV-DAD)/electrospray ionization tandem mass spectrometry was developed for the automated high performance liquid chromatography (HPLC) determination of sodium risedronate (SR) and its degradation products in new pharmaceuticals. The chromatographic separations were performed on Ascentis Express HILIC 2.7μm (150mm×2.1mm, i.d.) stainless steel column (fused core). The mobile phase consisted of formate buffer solution (pH 3.4; 0.03M)/acetonitrile 42:58 and 45:55 (v/v) for granules for oral solution and effervescent tablet analysis, respectively, at a flow-rate of 0.2mL/min, setting the wavelength at 262nm. Stability characteristics of SR were evaluated by performing stress test studies. The main degradation product formed under oxidation conditions corresponding to sodium hydrogen (1-hydroxy-2-(1-oxidopyridin-3-yl)-1-phosphonoethyl)phosphonate was characterized by high performance liquid chromatography-electrospray ionization-mass tandem mass spectrometry (HPLC-ESI-MS/MS). The validation parameters such as linearity, sensitivity, accuracy, precision and selectivity were found to be highly satisfactory. Linear responses were observed in standard and in fortified placebo solutions. Intra-day precision (relative standard deviation, RSD) was ≤1.1% for peak area and ≤0.2% for retention times (tR) without significant differences between intra- and inter-day data. Recovery studies showed good results for all the examined compounds (from 98.7 to 101.0%) with RSD ranging from 0.6 to 0.7%. The limits of detection (LOD) and quantitation (LOQ) were 1 and 3ng/mL, respectively. The high stability of standard and sample solutions at room temperature means an undoubted advantage of the method allowing the simultaneous preparation of many samples and consecutive chromatographic analyses by using an autosampler. The developed stability indicating

  3. Electron-impact ionization of W25+

    NASA Astrophysics Data System (ADS)

    Kynienė, A.; Pakalka, S.; Masys, Š.; Jonauskas, V.

    2016-09-01

    Electron-impact ionization cross sections for the ground level of the W25+ ion have been investigated by performing level-to-level calculations and using the Dirac-Fock-Slater method in the single-configuration approach. The main attention has been focused on the influence of the increasing principal and orbital quantum numbers on the excitation-autoionization (EA) process and its contribution to the total ionization cross sections. The obtained results demonstrate that excitations to the high-nl shells (n≥slant 9) increase cross sections of the indirect ionization process by about 60% compared to the excitations to the lower shells (n≤slant 8). It was established that excitations to the shells with the orbital quantum number l = 4 give the greatest contribution to EA. Maxwellian rate coefficients derived from the cross sections for the ground state are compared with the previously obtained values from the configuration-average distorted-wave (CADW) approximation. The rate coefficients for direct ionization (DI) are smaller than the corresponding CADW values, while the EA rate coefficients are larger than the ones from the CADW calculations. The total DI+EA rate coefficients are about 20% larger than the CADW rate coefficients.

  4. Ionizing Radiation and Chronic Lymphocytic Leukemia

    PubMed Central

    Richardson, David B.; Wing, Steve; Schroeder, Jane; Schmitz-Feuerhake, Inge; Hoffmann, Wolfgang

    2005-01-01

    The U.S. government recently implemented rules for awarding compensation to individuals with cancer who were exposed to ionizing radiation while working in the nuclear weapons complex. Under these rules, chronic lymphocytic leukemia (CLL) is considered to be a nonradiogenic form of cancer. In other words, workers who develop CLL automatically have their compensation claim rejected because the compensation rules hold that the risk of radiation-induced CLL is zero. In this article we review molecular, clinical, and epidemiologic evidence regarding the radiogenicity of CLL. We note that current understanding of radiation-induced tumorigenesis and the etiology of lymphatic neoplasia provides a strong mechanistic basis for expecting that ionizing radiation exposure increases CLL risk. The clinical characteristics of CLL, including prolonged latency and morbidity periods and a low case fatality rate, make it relatively difficult to evaluate associations between ionizing radiation and CLL risk via epidemiologic methods. The epidemiologic evidence of association between external exposure to ionizing radiation and CLL is weak. However, epidemiologic findings are consistent with a hypothesis of elevated CLL mortality risk after a latency and morbidity period that spans several decades. Our findings in this review suggest that there is not a persuasive basis for the conclusion that CLL is a nonradiogenic form of cancer. PMID:15626639

  5. Salt Tolerance of Desorption Electrospray Ionization (DESI)

    SciTech Connect

    Jackson, Ayanna U.; Talaty, Nari; Cooks, R G; Van Berkel, Gary J

    2007-01-01

    Suppression of ion intensity in the presence of high salt matrices is common in most mass spectrometry ionization techniques. Desorption electrospray ionization (DESI) is an ionization method that exhibits salt tolerance, and this is investigated. DESI analysis was performed on three different drug mixtures in the presence of 0, 0.2, 2, 5, 10, and 20% NaCl:KCl weight by volume from seven different surfaces. At physiological concentrations individual drugs in each mixture were observed with each surface. Collision-induced dissociation (CID) was used to provide additional confirmation for select compounds. Multiple stage experiments, to MS5, were performed for select compounds. Even in the absence of added salt, the benzodiazepine containing mixture yielded sodium and potassium adducts of carbamazepine which masked the ions of interest. These adducts were eliminated by adding 0.1% 7M ammonium acetate to the standard methanol:water (1:1) spray solvent. Comparison of the salt tolerance of DESI with that of electrospray ionization (ESI) demonstrated much better signal/noise characteristics for DESI in this study. The salt tolerance of DESI was also studied by performing limit of detection and dynamic range experiments. Even at a salt concentration significantly above physiological concentrations, select surfaces were effective in providing spectra that allowed the ready identification of the compounds of interest. The already high salt tolerance of DESI can be optimized further by appropriate choices of surface and spray solution.

  6. Collisional Ionization Equilibrium for Optically Thin Plasmas

    NASA Technical Reports Server (NTRS)

    Bryans, P.; Mitthumsiri, W.; Savin, D. W.; Badnell, N. R.; Gorczyca, T. W.; Laming, J. M.

    2006-01-01

    Reliably interpreting spectra from electron-ionized cosmic plasmas requires accurate ionization balance calculations for the plasma in question. However, much of the atomic data needed for these calculations have not been generated using modern theoretical methods and their reliability are often highly suspect. We have utilized state-of-the-art calculations of dielectronic recombination (DR) rate coefficients for the hydrogenic through Na-like ions of all elements from He to Zn. We have also utilized state-of-the-art radiative recombination (RR) rate coefficient calculations for the bare through Na-like ions of all elements from H to Zn. Using our data and the recommended electron impact ionization data of Mazzotta et al. (1998), we have calculated improved collisional ionization equilibrium calculations. We compare our calculated fractional ionic abundances using these data with those presented by Mazzotta et al. (1998) for all elements from H to Ni, and with the fractional abundances derived from the modern DR and RR calculations of Gu (2003a,b, 2004) for Mg, Si, S, Ar, Ca, Fe, and Ni.

  7. Liquid chromatography-electrospray ionization-mass spectrometry method in multiple reaction monitoring mode to determine 17alpha-ethynylestradiol residues in cattle hair without previous digestion.

    PubMed

    Pedreira, S; Lolo, M; Vázquez, B I; Franco, C M; Cepeda, A; Fente, C

    2007-11-14

    A liquid chromatography-mass spectrometric (LC-MS/MS) method has been developed for determination of ethynylestradiol residues in cattle hair. Hair samples were pulverized with a cryogenic mill followed by a simple extraction with acetonitrile. A dansyl derivatization procedure to improve ethynylestradiol detection was used before the LC-MS/MS analysis in multiple reaction monitoring (MRM) mode using alpha-estradiol as an internal standard. The method was validated following the latest EU guidelines using blank hair samples spiked at 2 ng g(-1). The detection capability (CCbeta) was less than 2 ng g(-1), and the decision limit (CCalpha) was 1 ng g(-1). Incurred samples obtained 56 days after cow treatment with ethynylestradiol were analyzed, and the presence of ethynylestradiol in the hair was confirmed in all cases.

  8. A simple and selective method for determination of phthalate biomarkers in vegetable samples by high pressure liquid chromatography-electrospray ionization-tandem mass spectrometry.

    PubMed

    Zhou, Xi; Cui, Kunyan; Zeng, Feng; Li, Shoucong; Zeng, Zunxiang

    2016-06-01

    In the present study, solid-phase extraction cartridges including silica reversed-phase Isolute C18, polymeric reversed-phase Oasis HLB and mixed-mode anion-exchange Oasis MAX, and liquid-liquid extractions with ethyl acetate, n-hexane, dichloromethane and its mixtures were compared for clean-up of phthalate monoesters from vegetable samples. Best recoveries and minimised matrix effects were achieved using ethyl acetate/n-hexane liquid-liquid extraction for these target compounds. A simple and selective method, based on sample preparation by ultrasonic extraction and liquid-liquid extraction clean-up, for the determination of phthalate monoesters in vegetable samples by liquid chromatography/electrospray ionisation-tandem mass spectrometry was developed. The method detection limits for phthalate monoesters ranged from 0.013 to 0.120 ng g(-1). Good linearity (r(2)>0.991) between MQLs and 1000× MQLs was achieved. The intra- and inter-day relative standard deviation values were less than 11.8%. The method was successfully used to determine phthalate monoester metabolites in the vegetable samples.

  9. Determination of plant stanols and plant sterols in phytosterol enriched foods with a gas chromatographic-flame ionization detection method: NMKL collaborative study.

    PubMed

    Laakso, Päivi H

    2014-01-01

    This collaborative study with nine participating laboratories was conducted to determine the total plant sterol and/or plant stanol contents in phytosterol fortified foods with a gas chromatographic method. Four practice and 12 test samples representing mainly commercially available foodstuffs were analyzed as known replicates. Twelve samples were enriched with phytosterols, whereas four samples contained only natural contents of phytosterols. The analytical procedure consisted of two alternative approaches: hot saponification method, and acid hydrolysis treatment prior to hot saponification. As a result, sterol/stanol compositions and contents in the samples were measured. The amounts of total plant sterols and total plant stanols varying from 0.005 to 8.04 g/100 g product were statistically evaluated after outliers were eliminated. The repeatability RSD (RSDr) varied from 1.34 to 17.13%. The reproducibility RSD (RSDR) ranged from 3.03 to 17.70%, with HorRat values ranging from 0.8 to 2.1. When only phytosterol enriched food test samples are considered, the RSDr ranged from 1.48 to 6.13%, the RSD, ranged from 3.03 to 7.74%, and HorRat values ranged from 0.8 to 2.1. Based on the results of this collaborative study, the study coordinator concludes the method is fit for its purpose.

  10. Cross sections for short pulse single and double ionization ofhelium

    SciTech Connect

    Palacios, Alicia; Rescigno, Thomas N.; McCurdy, C. William

    2007-11-27

    In a previous publication, procedures were proposed for unambiguously extracting amplitudes for single and double ionization from a time-dependent wavepacket by effectively propagating for an infinite time following a radiation pulse. Here we demonstrate the accuracy and utility of those methods for describing two-photon single and one-photon double ionization of helium. In particular it is shown how narrow features corresponding to autoionizing states are easily resolved with these methods.

  11. Ionization detection system for aerosols

    DOEpatents

    Jacobs, Martin E.

    1977-01-01

    This invention relates to an improved smoke-detection system of the ionization-chamber type. In the preferred embodiment, the system utilizes a conventional detector head comprising a measuring ionization chamber, a reference ionization chamber, and a normally non-conductive gas triode for discharging when a threshold concentration of airborne particulates is present in the measuring chamber. The improved system utilizes a measuring ionization chamber which is modified to minimize false alarms and reductions in sensitivity resulting from changes in ambient temperature. In the preferred form of the modification, an annular radiation shield is mounted about the usual radiation source provided to effect ionization in the measuring chamber. The shield is supported by a bimetallic strip which flexes in response to changes in ambient temperature, moving the shield relative to the source so as to vary the radiative area of the source in a manner offsetting temperature-induced variations in the sensitivity of the chamber.

  12. Development of a method for the direct analysis of peptide AM336 in monkey cerebrospinal fluid using liquid chromatography/electrospray ionization mass spectrometry with a mixed-function column.

    PubMed

    Bu, Wei; Freer, Scott D; Hollar, Shelly M; Stetson, Philip L; Boyd, Robert A; Kurek, John B; Sved, Daniel W

    2003-01-01

    A liquid chromatography/mass spectrometry (LC/MS) analytical procedure, using a single column for sample clean-up, enrichment and separation, has been developed for the determination of the peptide AM336 in monkey cerebrospinal fluid (CSF). CSF samples were injected and analyzed using a polymer-coated mixed-function high-performance liquid chromatography (HPLC) column with gradient elution and application of a timed valve-switching event. The mass spectrometer was operated in the positive electrospray ionization (ESI(+)) mode with single ion recording (SIR) at m/z 920. The method was validated, yielding calibration curves with correlation coefficients greater than 0.9892. Assay precision and accuracy were evaluated by direct injection of AM336-fortified CSF samples at three concentration levels. Analyzed concentrations ranged from 99.93 to 113.1% of their respective theoretical concentrations with coefficients of variation below 9.0%. An evaluation of the signal-to-noise (S/N) ratio for a 200 ng/mL calibration standard, considered to be the lower limit of quantitation (LLOQ), resulted in an estimated limit of detection (LOD) of 31.2 ng/mL. Preliminary data suggest the possibility of using this method to analyze AM336 also in plasma samples, pending the successful outcome of additional investigations.

  13. Method development for the determination of 24S-hydroxycholesterol in human plasma without derivatization by high-performance liquid chromatography with tandem mass spectrometry in atmospheric pressure chemical ionization mode.

    PubMed

    Sugimoto, Hiroshi; Kakehi, Masaaki; Satomi, Yoshinori; Kamiguchi, Hidenori; Jinno, Fumihiro

    2015-10-01

    We developed a highly sensitive and specific high-performance liquid chromatography with tandem mass spectrometry method with an atmospheric pressure chemical ionization interface to determine 24S-hydroxycholesterol, a major metabolite of cholesterol formed by cytochrome P450 family 46A1, in human plasma without any derivatization step. Phosphate buffered saline including 1% Tween 80 was used as the surrogate matrix for preparation of calibration curves and quality control samples. The saponification process to convert esterified 24S-hydroxycholesterol to free sterols was optimized, followed by liquid-liquid extraction using hexane. Chromatographic separation of 24S-hydroxycholesterol from other isobaric endogenous oxysterols was successfully achieved with gradient mobile phase comprised of 0.1% propionic acid and acetonitrile using L-column2 ODS (2 μm, 2.1 mm id × 150 mm). This assay was capable of determining 24S-hydroxycholesterol in human plasma (200 μL) ranging from 1 to 100 ng/mL with acceptable intra- and inter-day precision and accuracy. The potential risk of in vitro formation of 24S-hydroxycholesterol by oxidation from endogenous cholesterol in human plasma was found to be negligible. The stability of 24S-hydroxycholesterol in relevant solvents and human plasma was confirmed. This method was successfully applied to quantify the plasma concentrations of 24S-hydroxycholesterol in male and female volunteers.

  14. Fingerprint analysis and quality consistency evaluation of flavonoid compounds for fermented Guava leaf by combining high-performance liquid chromatography time-of-flight electrospray ionization mass spectrometry and chemometric methods.

    PubMed

    Wang, Lu; Tian, Xiaofei; Wei, Wenhao; Chen, Gong; Wu, Zhenqiang

    2016-10-01

    Guava leaves are used in traditional herbal teas as antidiabetic therapies. Flavonoids are the main active of Guava leaves and have many physiological functions. However, the flavonoid compositions and activities of Guava leaves could change due to microbial fermentation. A high-performance liquid chromatography time-of-flight electrospray ionization mass spectrometry method was applied to identify the varieties of the flavonoids in Guava leaves before and after fermentation. High-performance liquid chromatography, hierarchical cluster analysis and principal component analysis were used to quantitatively determine the changes in flavonoid compositions and evaluate the consistency and quality of Guava leaves. Monascus anka Saccharomyces cerevisiae fermented Guava leaves contained 2.32- and 4.06-fold more total flavonoids and quercetin, respectively, than natural Guava leaves. The flavonoid compounds of the natural Guava leaves had similarities ranging from 0.837 to 0.927. The flavonoid compounds from the Monascus anka S. cerevisiae fermented Guava leaves had similarities higher than 0.993. This indicated that the quality consistency of the fermented Guava leaves was better than that of the natural Guava leaves. High-performance liquid chromatography fingerprinting and chemometric analysis are promising methods for evaluating the degree of fermentation of Guava leaves based on quality consistency, which could be used in assessing flavonoid compounds for the production of fermented Guava leaves.

  15. Screening of key antioxidant compounds of longan (Dimocarpus longan Lour.) seed extract by combining online fishing/knockout, activity evaluation, Fourier transform ion cyclotron resonance mass spectrometry, and high-performance liquid chromatography electrospray ionization mass spectrometry methods.

    PubMed

    Chen, Jinyu; Ge, Zhen-Zhen; Zhu, Wei; Xu, Ze; Li, Chun-Mei

    2014-10-08

    To figure out the key phenolic compounds accounting for the antioxidant effects of longan (Dimocarpus longan Lour.) seed extract, online fishing/knockout method, activity evaluation assays, Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS), and high-performance liquid chromatography electrospray ionization mass spectrometry (HPLC-ESI-MS) analysis were used jointly for the first time. p-Coumaric acid-glycoside, (S)-flavogallonic acid, ellagic acid derivative, and methyl-ellagic acid glucopyranoside were first identified in longan seeds. In addition, our study revealed that ellagic acid as well as its derivative and p-coumaric acid-glycoside had important contribution to the potent antioxidant activity of longan seed extract, while gallic acid, corilagin, (S)-flavogallonic acid, methyl-ellagic acid glucopyranoside, and ethyl gallate showed very little contribution to the total antioxidant activity of longan seed extract. The combining use of the online fishing/knockout method, activity evaluation assays, FT-ICR-MS, and HPLC-ESI-MS analysis is a useful and simple strategy for screening of key bioactive compounds from complex extracts.

  16. Calculating Relative Ionization Probabilities of Plutonium for Resonance Ionization Mass Spectrometry to Support Nuclear Forensic Investigations

    NASA Astrophysics Data System (ADS)

    Lensegrav, Craig; Smith, Craig; Isselhardt, Brett

    2015-03-01

    Ongoing work seeks to apply the technology of Resonance Ionization Mass Spectrometry (RIMS) to problems related to nuclear forensics and, in particular, to the analysis and quantification of debris from nuclear detonations. As part of this effort, modeling and simulation methods are being applied to analyze and predict the potential for ionization by laser excitation of isotopes of both uranium and plutonium. Early work focused on the ionization potential of isotopes of uranium, and the present effort has expanded and extended the previous work by identifying and integrating new data for plutonium isotopes. In addition to extending the effort to this important new element, we have implemented more accurate descriptions of the spatial distribution of the laser beams to improve the accuracy of model predictions compared with experiment results as well as an ability to readily incorporate new experimental data as they become available. The model is used to estimate ionization cross sections and to compare relative excitation on two isotopes as a function of wavelength. This allows the study of sensitivity of these measurements to fluctuations in laser wavelength, irradiance, and bandwidth. We also report on initial efforts to include predictions of americium ionization probabilities into our modeling package. I would like to thank my co-authors, Gamani Karunasiri and Fabio Alves. My success is a product of their support and guidance.

  17. Method development towards qualitative and semi-quantitative analysis of multiple pesticides from food surfaces and extracts by desorption electrospray ionization mass spectrometry as a preselective tool for food control.

    PubMed

    Gerbig, Stefanie; Stern, Gerold; Brunn, Hubertus E; Düring, Rolf-Alexander; Spengler, Bernhard; Schulz, Sabine

    2017-03-01

    Direct analysis of fruit and vegetable surfaces is an important tool for in situ detection of food contaminants such as pesticides. We tested three different ways to prepare samples for the qualitative desorption electrospray ionization mass spectrometry (DESI-MS) analysis of 32 pesticides found on nine authentic fruits collected from food control. Best recovery rates for topically applied pesticides (88%) were found by analyzing the surface of a glass slide which had been rubbed against the surface of the food. Pesticide concentration in all samples was at or below the maximum residue level allowed. In addition to the high sensitivity of the method for qualitative analysis, quantitative or, at least, semi-quantitative information is needed in food control. We developed a DESI-MS method for the simultaneous determination of linear calibration curves of multiple pesticides of the same chemical class using normalization to one internal standard (ISTD). The method was first optimized for food extracts and subsequently evaluated for the quantification of pesticides in three authentic food extracts. Next, pesticides and the ISTD were applied directly onto food surfaces, and the corresponding calibration curves were obtained. The determination of linear calibration curves was still feasible, as demonstrated for three different food surfaces. This proof-of-principle method was used to simultaneously quantify two pesticides on an authentic sample, showing that the method developed could serve as a fast and simple preselective tool for disclosure of pesticide regulation violations. Graphical Abstract Multiple pesticide residues were detected and quantified in-situ from an authentic set of food items and extracts in a proof of principle study.

  18. Gamma-ray spectrometry method used for radioactive waste drums characterization for final disposal at National Repository for Low and Intermediate Radioactive Waste--Baita, Romania.

    PubMed

    Done, L; Tugulan, L C; Dragolici, F; Alexandru, C

    2014-05-01

    The Radioactive Waste Management Department from IFIN-HH, Bucharest, performs the conditioning of the institutional radioactive waste in concrete matrix, in 200 l drums with concrete shield, for final disposal at DNDR - Baita, Bihor county, in an old exhausted uranium mine. This paper presents a gamma-ray spectrometry method for the characterization of the radioactive waste drums' radionuclides content, for final disposal. In order to study the accuracy of the method, a similar concrete matrix with Portland cement in a 200 l drum was used.

  19. Quantitative determination of saroglitazar, a predominantly PPAR alpha agonist, in human plasma by a LC-MS/MS method utilizing electrospray ionization in a positive mode.

    PubMed

    Ghoghari, Ashok; Dash, Ranjeet; Bhatt, Chandrakant; Singh, Kanchan; Jha, Anil; Patel, Harilal; Gupta, Rahul; Kansagra, Kevinkumar; Srinivas, Nuggehally R

    2016-12-01

    A sensitive LC-MS/MS method was developed and validated for quantitation of saroglitazar using turboion spray interface with positive ion mode. A liquid-liquid extraction, with a mixture of dichloromethane and diethyl ether, was employed for the extraction of saroglitazar and glimepiride (IS) from human plasma. The chromatographic separation was achieved using an ACE-5, C18 (4.6 × 100 mm) column with a gradient mobile phase comprising acetonitrile and ammonium acetate buffer with trifluoracetic acid in purified water. Both analytes were separated within 10 min with retention times of 4.52 and 2.57 min for saroglitazar and IS, respectively. Saroglitazar quantitation was achieved by the summation of two MRM transition pairs (m/z 440.2 to m/z 366.0 and m/z 440.2 to m/z 183.1), while that of IS was achieved using transition pair m/z 491.3 to m/z 352.0. The calibration standards of saroglitazar showed linearity from 0.2 to 500 ng/mL, with a lower limit of quantitation of 0.2 ng/mL. The biases for inter- and intra-batch assays were -7.51-1.15% and -11.21 to -3.25%, respectively, while the corresponding precisions were 5.04-8.06% and 1.53-7.68%, respectively. The developed method was used to monitor the plasma concentrations of saroglitazar in clinical samples.

  20. A new method for direct total OH reactivity measurements using a fast Gas Chromatographic Photo-Ionization Detector (GC-PID)

    NASA Astrophysics Data System (ADS)

    Nölscher, A. C.; Sinha, V.; Bockisch, S.; Klüpfel, T.; Williams, J.

    2012-04-01

    The primary and most important oxidant in the troposphere is the hydroxyl radical (OH). Currently the atmospheric sinks of OH are poorly constrained. One way to characterize the overall sink term of OH is to measure directly the ambient loss rate of OH, the total OH reactivity. The first direct measurements of total OH reactivity were performed using laser induced fluorescence (LIF) [1], [2]. Recently a new method for determining OH reactivity was developed called the comparative reactivity method (CRM) [3]. The measurement principle is based on a competitive reaction between a reactive molecule not normally present in air with OH, and atmospheric OH reactive molecules with OH. The reactive molecule (X), is passed through a Teflon coated glass reactor and its concentration is monitored with a suitable detector. OH radicals are then introduced into the reactor at a constant rate to react with X, first in the presence of zero air and then in the presence of ambient air containing OH reactive species. Comparing the amount of X exiting the reactor with and without the competing ambient air molecules directly provides the atmospheric total OH reactivity. In the first version of this set up, molecule X is pyrrole (C5H4N) and the detector used is a proton transfer reaction mass spectrometer (PTR-MS). In comparison to the original LIF based system, the PTR-MS has the advantage of being smaller, less expensive, and commercially available. However, using the PTR-MS for total OH reactivity measurements prevents it from probing the broad variety of volatile organic compounds in ambient air. Moreover, even smaller, less expensive and more portable detectors are available. This work examines the potential for a GC-PID in order to make the total OH reactivity measurement accessible to more practitioners. This study presents measurements of total OH reactivity with a custom built GC-PID (VOC-Analyzer from IUT-Berlin, now ENIT (Environics-IUT GmbH))[4]. The GC-PID is small (260

  1. An Efficient High-performance Liquid Chromatography Combined with Electrospray Ionization Tandem Mass Spectrometry Method to Elaborate the Changes of Components Between the Raw and Processed Radix Aconitum kusnezoffii

    PubMed Central

    Wang, Beibei; Ji, Jiaojiao; Zhao, Shuang; Dong, Jie; Tan, Peng; Na, Shengsang; Liu, Yonggang

    2016-01-01

    Background: Crude radix Aconitum kusnezoffii (RAK) has great toxicity. Traditional Chinese medicine practice proved that processing may decrease its toxicity. In our previous study, we had established a new method of RAK processing (Paozhi). However, the mechanism is yet not perfect. Objective: To explore the related mechanism of processing through comparing the chemical contents. Materials and Methods: A new processing method of RAK named stoving (Hong Zhi) was used. In particular, RAK was stored at 110°C for 8 h, and then high performance liquid chromatography combined with electrospray ionization tandem mass spectrometry (HPLC-ESI-MSn) was developed for the detection of the alkaloids of the crude and processed RAK decoction pieces. Results: Thirty components of the crude RAK were discovered, among which, 23 alkaloids were identified. Meanwhile, 23 ingredients were detected in the processed RAK decoction pieces, among which, 20 alkaloids were determined yet. By comparison, eight alkaloids were found in both crude and processed RAK decoction pieces, 15 alkaloids were not found in the crude RAK, however, 10 new constituents yield after processing, which are 10-OH-hypaconine, 10-OH-mesaconine, isomer of bullatine A, 14-benzoyl-10-OH-mesaconine, 14-benzoyl-10-OH-aconine, 14-benzoyl-10-OH-hypaconine, dehydrated aconitine, 14-benzoylaconine, chuanfumine, dehydrated mesaconitine. Conclusion: The present study showed that significant change of alkaloids was detected in RAK before and after processing. Among them, the highly toxic diester alkaloids decreased and the less toxic monoester alkaloids increased. Moreover, the concentration changes significantly. HPLC-ESI-MSn are Efficient to elaborate the mechanism of reduction of toxicity and enhancement efficacy after processing. SUMMARY Stoving is a simple and effective method for the processing of radix Aconitum kusnezoffii.In the positive mode, the characteristic fragmentations of Aconitum alkaloids were obtained

  2. Using a novel sol-gel stir bar sorptive extraction method for the analysis of steroid hormones in water by laser diode thermal desorption/atmospheric chemical ionization tandem mass spectrometry.

    PubMed

    Vo Duy, S; Fayad, P B; Barbeau, B; Prévost, M; Sauvé, S

    2012-11-15

    A new coating material was used for a stir bar sorptive extraction (SBSE) method coupled to a high throughput sample analysis technique. This allowed for a simple procedure for fast determinations of eight steroid hormones (estriol, estradiol, ethynylestradiol, estrone, progesterone, medroxyprogesterone, levonorgestrel, northindrone) in water. Sample pre-treatment was performed using an in-house SBSE method based on a polydimethylsiloxane/phenyltrimethylsiloxane/β-cyclodextrin sol-gel material. The analytes were desorbed by liquid extraction prior to their analysis by laser diode thermal desorption/atmospheric pressure chemical ionization coupled to tandem mass spectrometry (LDTD-APCI-MS/MS). Several parameters, including ionic strength, volume and time of extraction as well as volume and time of desorption, were investigated to maximize extraction efficiency by SBSE in aqueous solutions. The in-house stir bar showed good reproducibility and could be used for at least 50 extractions without affecting analytical performance. The recoveries of the spiked steroid hormones ranged from 55% to 96% in all water matrices studied (HPLC grade water, tap water and raw wastewater). Only one compound showed poor recovery values (<2% for estriol) in all matrices. The method detection limits (MDLs) in real matrices were within the range of 0.1-0.3 μg L(-1) except for estriol at 48 μg L(-1). The extraction performance of the in-house SBSE for the eight selected hormones was also compared with that of a commercially-available stir bar coated with polydimethylsiloxane (PDMS). This novel stir bar coating could prove to be useful method for the detection and quantification of trace levels of steroid hormones.

  3. Rapid identification of bacteria and yeasts from positive-blood-culture bottles by using a lysis-filtration method and matrix-assisted laser desorption ionization-time of flight mass spectrum analysis with the SARAMIS database.

    PubMed

    Fothergill, Amy; Kasinathan, Vyjayanti; Hyman, Jay; Walsh, John; Drake, Tim; Wang, Yun F Wayne

    2013-03-01

    Rapid identification of microorganisms causing bloodstream infections directly from a positive blood culture would decrease the time to directed antimicrobial therapy and greatly improve patient care. Matrix-assisted laser desorption ionization-time of flight (MALDI-TOF) mass spectrometry (MS) is a fast and reliable method for identifying microorganisms from positive culture. This study evaluates the performance of a novel filtration-based method for processing positive-blood-culture broth for immediate identification of microorganisms by MALDI-TOF with a Vitek MS research-use-only system (VMS). BacT/Alert non-charcoal-based blood culture bottles that were flagged positive by the BacT/Alert 3D system were included. An aliquot of positive-blood-culture broth was incubated with lysis buffer for 2 to 4 min at room temperature, the resulting lysate was filtered through a membrane, and harvested microorganisms were identified by VMS. Of the 259 bottles included in the study, VMS identified the organisms in 189 (73%) cultures to the species level and 51 (19.7%) gave no identification (ID), while 6 (2.3%) gave identifications that were considered incorrect. Among 131 monomicrobic isolates from positive-blood-culture bottles with one spot having a score of 99.9%, the IDs for 131 (100%) were correct to the species level. In 202 bottles where VMS was able to generate an ID, the IDs for 189 (93.6%) were correct to the species level, whereas the IDs provided for 7 isolates (3.5%) were incorrect. In conclusion, this method does not require centrifugation and produces a clean spectrum for VMS analysis in less than 15 min. This study demonstrates the effectiveness of the new lysis-filtration method for identifying microorganisms directly from positive-blood-culture bottles in a clinical setting.

  4. Method to reduce chemical background interference in atmospheric pressure ionization liquid chromatography-mass spectrometry using exclusive reactions with the chemical reagent dimethyl disulfide.

    PubMed

    Guo, Xinghua; Bruins, Andries P; Covey, Thomas R

    2007-06-01

    The interference of chemical background ions (chemical noise) has been a problem since the inception of mass spectrometry. We present here a novel method to reduce the chemical noise in LC-MS based on exclusive gas-phase reactions with a reactive collision gas in a triple-quadrupole mass spectrometer. Combined with the zero neutral loss (ZNL) scan of a triple-quadrupole mass spectrometer, the reactive chemical noise ions can be removed because of shifts of mass-to-charge ratios from the original background ions. The test on various classes of compounds with different functional groups indicates a generic application of this technique in LC-MS. The preliminary results show that a reduction of the level of LC-MS base-peak chromatographic baseline by a factor up to 40 and an improvement of the signal-to-noise ratio by a factor up to 5-10 are achieved on both commercial and custom-modified triple-quadrupole LC-MS systems. Application is foreseen in both quantitative and qualitative trace analysis. It is expected that this chemical noise reduction technique can be optimized on a dedicated mass spectrometric instrumentation which incorporates both a chemical reaction cell for noise reduction and a collision stage for fragmentation.

  5. Highly sensitive and rapid profiling method for carotenoids and their epoxidized products using supercritical fluid chromatography coupled with electrospray ionization-triple quadrupole mass spectrometry.

    PubMed

    Matsubara, Atsuki; Uchikata, Takato; Shinohara, Masakazu; Nishiumi, Shin; Yoshida, Masaru; Fukusaki, Eiichiro; Bamba, Takeshi

    2012-06-01

    Epoxy carotenoids, which are products of carotenoid oxidation, are potential oxidative stress markers. However, it is difficult to profile epoxy carotenoids owing to their small amount and difficulty in their separation from hydroxy carotenoids. In this study, a high-performance analytical system based on supercritical fluid chromatography (SFC) coupled with tandem mass spectrometry (MS/MS) was developed for the simultaneous analysis of carotenoids and epoxy carotenoids. SFC is an effective separation technique for hydrophobic compounds, by which major carotenoids in human serum and their epoxidation products can be analyzed within 20 min. The use of MS/MS increased the sensitivity; the detection limit for each carotenoid was of the sub-fmol order. When the constructed method was applied to biological samples such as human serum and low-density lipoprotein (LDL), the precise detection of the target carotenoids was disturbed by several isomers. However, highly selective detection of epoxy carotenoids was performed by targeting product ions that were generated with a structure-specific neutral loss of 80Da. Furthermore, the sample volume needed for the analysis was only 0.1ml for the serum, indicating the efficiency of this system in performing small-scale analyses. Using the analytical system developed in this study, highly sensitive and selective analysis of epoxy carotenoids could be performed in a short time. These features show the usefulness of this system in application to screening analysis of carotenoid profiles that are easily modified by oxidative stress.

  6. Ionizing laser propagation and spectral phase determination

    NASA Astrophysics Data System (ADS)

    Mittelberger, D. E.; Nakamura, K.; Lehe, R.; Gonsalves, A. J.; Benedetti, C.; Mao, H.-S.; Daniels, J.; Dale, N.; Swanson, K. K.; Esarey, E.; Leemans, W. P.

    2017-03-01

    Ionization-induced blueshifting is investigated through INF&RNO simulations and experimental studies at the Berkeley Laboratory Laser Accelerator (BELLA) Center. The effects of spectral phase and optical compression are explored. An in-situ method for verifying the spectral phase of an intense laser pulse at focus is presented, based on the effects of optical compression on the morphology of the blueshifted laser spectra.

  7. MUON COLLIDERS - IONIZATION COOLING AND SOLENOIDS.

    SciTech Connect

    PARSA,Z.

    1999-03-29

    For a muon collider, to obtain the needed luminosity, the phase space volume must be greatly reduced within the muon life time. The ionization cooling is the preferred method used to compress the phase space and reduce the emittance to obtain high luminosity muon beams. Alternating solenoid lattices has been proposed for muon colliders, where the emittance are huge. We present an overview, discuss formalism, transfer maps for solenoid magnets and beam dynamics.

  8. An intense polarized beam by a laser ionization injection

    NASA Astrophysics Data System (ADS)

    Ohmori, Chihiro; Hiramatsu, Shigenori; Nakamura, Takeshi

    1990-12-01

    Accumulation of protons and polarized protons by photo-ionization injection are described. This method consists of: (1) producing the neutral hydrogen beam by Lorentz stripping; (2) excitation of the neutral hydrogen beam with a laser; and (3) ionization of the hydrogen beam in the 2P excited state with another laser. When the laser for the excitation is circularly polarized, we can get a polarized proton beam. An ionization efficiency of 98 percent and a polarization of 80 percent can be expected by an intense laser beam from a free electron laser (FEL).

  9. Enhancement and control of H2 dissociative ionization by femtosecond VUV laser pulses.

    PubMed

    Palacios, A; Bachau, H; Martín, F

    2006-04-14

    We report ab initio calculations of H2 ionization by VUV/fs 10(12) W/cm2 laser pulses including correlation and all electronic and vibrational degrees of freedom (DOF). Inclusion of the nuclear DOF leads to a substantial increase of resonance enhanced multiphoton ionization. By varying pulse duration, it is possible to control the ratio of dissociative to nondissociative ionization as well as the final H+(2) vibrational distribution. For pulses longer than 10 fs and proportional to omega>0.46 a.u., dissociative ionization entirely dominates, which is a very unusual situation in photoionization studies.

  10. Influence of ionization on ultrafast gas-based nonlinear fiber optics.

    PubMed

    Chang, W; Nazarkin, A; Travers, J C; Nold, J; Hölzer, P; Joly, N Y; Russell, P St J

    2011-10-10

    We numerically investigate the effect of ionization on ultrashort high-energy pulses propagating in gas-filled kagomé-lattice hollow-core photonic crystal fibers by solving an established uni-directional field equation. We consider the dynamics of two distinct regimes: ionization induced blue-shift and resonant dispersive wave emission in the deep-UV. We illustrate how the system evolves between these regimes and the changing influence of ionization. Finally, we consider the effect of higher ionization stages.

  11. Final 6D Muon Ionization Colling using Strong Focusing Quadrupoles

    SciTech Connect

    Hart, T. L.; Acosta, J. G.; Cremaldi, L. M.; Oliveros, S. J.; Summers, D. J.; Neuffer, D. V.

    2016-11-15

    Abstract Low emittance muon beam lines and muon colliders are potentially a rich source of BSM physics for future exper- imenters. A muon beam normalized emittance of ax,y,z = (280, 280, 1570)µm has been achieved in simulation with short solenoids and a betatron function of 3 cm. Here we use ICOOL and MAD-X to explore using a 400 MeV/c muon beam and strong focusing quadrupoles to achieve a normalized transverse emittance of 100 µm and complete 6D cooling. The low beta regions, as low as 5 mm, produced by the quadrupoles are occupied by dense, low Z absorbers, such as lithium hydride or beryllium, that cool the beam transversely. Equilibrium transverse emittance is linearly proportional to the transverse betatron function. Reverse emittance exchange with septa and/or wedges is then used to decrease transverse emittance from 100 to 25 µm at the expense of longitudinal emittance for a high energy lepton collider. Cooling challenges include chromaticity correction, ssband overlap, quadrupole acceptance, and staying in phase with RF.

  12. Final Report: Ionization chemistry of high temperature molecular fluids

    SciTech Connect

    Fried, L E

    2007-02-26

    With the advent of coupled chemical/hydrodynamic reactive flow models for high explosives, understanding detonation chemistry is of increasing importance to DNT. The accuracy of first principles detonation codes, such as CHEETAH, are dependent on an accurate representation of the species present under detonation conditions. Ionic species and non-molecular phases are not currently included coupled chemistry/hydrodynamic simulations. This LDRD will determine the prevalence of such species during high explosive detonations, by carrying out experimental and computational investigation of common detonation products under extreme conditions. We are studying the phase diagram of detonation products such as H{sub 2}O, or NH{sub 3} and mixtures under conditions of extreme pressure (P > 1 GPa) and temperature (T > 1000K). Under these conditions, the neutral molecular form of matter transforms to a phase dominated by ions. The phase boundaries of such a region are unknown.

  13. Optical ionization detector

    DOEpatents

    Wuest, Craig R.; Lowry, Mark E.

    1994-01-01

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

  14. Optical ionization detector

    DOEpatents

    Wuest, C.R.; Lowry, M.E.

    1994-03-29

    An optical ionization detector wherein a beam of light is split so that one arm passes through a fiber optics and the other arm passes through a gas-filled region, and uses interferometry to detect density changes in a gas when charged particles pass through it. The gas-filled region of the detector is subjected to a high electric field and as a charged particle traverses this gas region electrons are freed from the cathode and accelerated so as to generate an electron avalanche which is collected on the anode. The gas density is effected by the electron avalanche formation and if the index or refraction is proportional to the gas density the index will change accordingly. The detector uses this index change by modulating the one arm of the split light beam passing through the gas, with respect to the other arm that is passed through the fiber optic. Upon recombining of the beams, interference fringe changes as a function of the index change indicates the passage of charged particles through the gaseous medium. 3 figures.

  15. Microwave reflectometer ionization sensor

    NASA Technical Reports Server (NTRS)

    Seals, Joseph; Fordham, Jeffrey A.; Pauley, Robert G.; Simonutti, Mario D.

    1993-01-01

    The development of the Microwave Reflectometer Ionization Sensor (MRIS) Instrument for use on the Aeroassist Flight Experiment (AFE) spacecraft is described. The instrument contract was terminated, due to cancellation of the AFE program, subsequent to testing of an engineering development model. The MRIS, a four-frequency reflectometer, was designed for the detection and location of critical electron density levels in spacecraft reentry plasmas. The instrument would sample the relative magnitude and phase of reflected signals at discrete frequency steps across 4 GHz bandwidths centered at four frequencies: 20, 44, 95, and 140 GHz. The sampled data would be stored for later processing to calculate the distance from the spacecraft surface to the critical electron densities versus time. Four stepped PM CW transmitter receivers were located behind the thermal protection system of the spacecraft with horn antennas radiating and receiving through an insulating tile. Techniques were developed to deal with interference, including multiple reflections and resonance effects, resulting from the antenna configuration and operating environment.

  16. Ionizing radiation promotes protozoan reproduction

    SciTech Connect

    Luckey, T.D.

    1986-11-01

    This experiment was performed to determine whether ionizing radiation is essential for maximum growth rate in a ciliated protozoan. When extraneous ionizing radiation was reduced to 0.15 mrad/day, the reproduction rate of Tetrahymena pyriformis was significantly less (P less than 0.01) than it was at near ambient levels, 0.5 or 1.8 mrad/day. Significantly higher growth rates (P less than 0.01) were obtained when chronic radiation was increased. The data suggest that ionizing radiation is essential for optimum reproduction rate in this organism.

  17. Pulsed helium ionization detection system

    DOEpatents

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

    1985-04-09

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

  18. Pulsed helium ionization detection system

    DOEpatents

    Ramsey, Roswitha S.; Todd, Richard A.

    1987-01-01

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

  19. Precise determination of the absolute isotopic abundance ratio and the atomic weight of chlorine in three international reference materials by the positive thermal ionization mass spectrometer-Cs2Cl+-graphite method.

    PubMed

    Wei, Hai-Zhen; Jiang, Shao-Yong; Xiao, Ying-Kai; Wang, Jun; Lu, Hai; Wu, Bin; Wu, He-Pin; Li, Qing; Luo, Chong-Guang

    2012-12-04

    Because the variation in chlorine isotopic abundances of naturally occurring chlorine bearing substances is significant, the IUPAC Inorganic Chemistry Division, Commission on Isotopic Abundances and Atomic Weights (CIAAW-IUPAC) decided that the uncertainty of atomic weight of chlorine (A(r)(Cl)) should be increased so that the implied range was related to terrestrial variability in 1999 (Coplen, T. B. Atomic weights of the elements 1999 (IUPAC Technical Report), Pure Appl. Chem.2001, 73(4), 667-683; and then, it emphasized that the standard atomic weights of ten elements including chlorine were not constants of nature but depend upon the physical, chemical, and nuclear history of the materials in 2009 (Wieser, M. E.; Coplen, T. B. Pure Appl. Chem.2011, 83(2), 359-396). According to the agreement by CIAAW that an atomic weight could be defined for one specified sample of terrestrial origin (Wieser, M. E.; Coplen, T. B. Pure Appl. Chem.2011, 83(2), 359-396), the absolute isotope ratios and atomic weight of chlorine in standard reference materials (NIST 975, NIST 975a, ISL 354) were accurately determined using the high-precision positive thermal ionization mass spectrometer (PTIMS)-Cs(2)Cl(+)-graphite method. After eliminating the weighing error caused from evaporation by designing a special weighing container and accurately determining the chlorine contents in two highly enriched Na(37)Cl and Na(35)Cl salts by the current constant coulometric titration, one series of gravimetric synthetic mixtures prepared from two highly enriched Na(37)Cl and Na(35)Cl salts was used to calibrate two thermal ionization mass spectrometers in two individual laboratories. The correction factors (i.e., K(37/35) = R(37/35meas)/R(37/35calc)) were obtained from five cycles of iterative calculations on the basis of calculated and determined R((37)Cl/(35)Cl) values in gravimetric synthetic mixtures. The absolute R((37)Cl/(35)Cl) ratios for NIST SRM 975, NIST 975a, and ISL 354 by the precise

  20. Sensitive and rapid method for amino acid quantitation in malaria biological samples using AccQ.Tag ultra performance liquid chromatography-electrospray ionization-MS/MS with multiple reaction monitoring.

    PubMed

    Armenta, Jenny M; Cortes, Diego F; Pisciotta, John M; Shuman, Joel L; Blakeslee, Kenneth; Rasoloson, Dominique; Ogunbiyi, Oluwatosin; Sullivan, David J; Shulaev, Vladimir

    2010-01-15

    An AccQ*Tag ultra performance liquid chromatography-electrospray ionization-tandem mass spectrometry (AccQ*Tag-UPLC-ESI-MS/MS) method for fast, reproducible, and sensitive amino acid quantitation in biological samples, particularly, the malaria parasite Plasmodium falciparum is presented. The Waters Acquity TQD UPLC/MS system equipped with a photodiode array (PDA) detector was used for amino acid separation and detection. The method was developed and validated using amino acid standard mixtures containing acidic, neutral, and basic amino acids. For MS analysis, the optimum cone voltage implemented, based on direct infusion analysis of a few selected AccQ*Tag amino acids with multiple reaction monitoring, varied from 29 to 39 V, whereas the collision energy varied from 15 to 35 V. Calibration curves were built using both internal and external standardization. Typically, a linear response for all amino acids was observed at concentration ranges of 3 x 10(-3)-25 pmol/muL. For some amino acids, concentration limits of detection were as low as 1.65 fmol. The coefficients of variation for retention times were within the range of 0.08-1.08%. The coefficients of variation for amino acid quantitation, determined from triplicate UPLC-MS/MS runs, were below 8% on the average. The developed AccQ*Tag-UPLC-ESI-MS/MS method revealed good technical and biological reproducibility when applied to P. falciparum and human red blood cells samples. This study should provide a valuable insight into the performance of UPLC-ESI-MS/MS for amino acid quantitation using AccQ*Tag derivatization.

  1. Development of a new multi-residue laser diode thermal desorption atmospheric pressure chemical ionization tandem mass spectrometry method for the detection and quantification of pesticides and pharmaceuticals in wastewater samples.

    PubMed

    Boisvert, Michel; Fayad, Paul B; Sauvé, Sébastien

    2012-11-19

    A new solid phase extraction (SPE) method coupled to a high throughput sample analysis technique was developed for the simultaneous determination of nine selected emerging contaminants in wastewater (atrazine, desethylatrazine, 17β-estradiol, ethynylestradiol, norethindrone, caffeine, carbamazepine, diclofenac and sulfamethoxazole). We specifically included pharmaceutical compounds from multiple therapeutic classes, as well as pesticides. Sample pre-concentration and clean-up was performed using a mixed-mode SPE cartridge (Strata ABW) having both cation and anion exchange properties, followed by analysis by laser diode thermal desorption atmospheric pressure chemical ionization coupled to tandem mass spectrometry (LDTD-APCI-MS/MS). The LDTD interface is a new high-throughput sample introduction method, which reduces total analysis time to less than 15s per sample as compared to minutes with traditional liquid-chromatography coupled to tandem mass spectrometry (LC-MS/MS). Several SPE parameters were evaluated in order to optimize recovery efficiencies when extracting analytes from wastewater, such as the nature of the stationary phase, the loading flow rate, the extraction pH, the volume and composition of the washing solution and the initial sample volume. The method was successfully applied to real wastewater samples from the primary sedimentation tank of a municipal wastewater treatment plant. Recoveries of target compounds from wastewater ranged from 78% to 106%, the limit of detection ranged from 30 to 122ng L(-1) while the limit of quantification ranged from 90 to 370ng L(-1). Calibration curves in the wastewater matrix showed good linearity (R(2)≥0.991) for all target analytes and the intraday and interday coefficient of variation was below 15%, reflecting a good precision.

  2. Ionization-based detectors for gas chromatography.

    PubMed

    Poole, Colin F

    2015-11-20

    The gas phase ionization detectors are the most widely used detectors for gas chromatography. The column and makeup gases commonly used in gas chromatography are near perfect insulators. This facilitates the detection of a minute number of charge carriers facilitating the use of ionization mechanisms of low efficiency while providing high sensitivity. The main ionization mechanism discussed in this report are combustion in a hydrogen diffusion flame (flame ionization detector), surface ionization in a plasma (thermionic ionization detector), photon ionization (photoionization detector and pulsed discharge helium ionization detector), attachment of thermal electrons (electron-capture detector), and ionization by collision with metastable helium species (helium ionization detector). The design, response characteristics, response mechanism, and suitability for fast gas chromatography are the main features summarized in this report. Mass spectrometric detection and atomic emission detection, which could be considered as ionization detectors of a more sophisticated and complex design, are not discussed in this report.

  3. Strong field ionization rates simulated with time-dependent configuration interaction and an absorbing potential

    SciTech Connect

    Krause, Pascal; Sonk, Jason A.; Schlegel, H. Bernhard

    2014-05-07

    Ionization rates of molecules have been modeled with time-dependent configuration interaction simulations using atom centered basis sets and a complex absorbing potential. The simulations agree with accurate grid-based calculations for the ionization of hydrogen atom as a function of field strength and for charge resonance enhanced ionization of H{sub 2}{sup +} as the bond is elongated. Unlike grid-based methods, the present approach can be applied to simulate electron dynamics and ionization in multi-electron polyatomic molecules. Calculations on HCl{sup +} and HCO{sup +} demonstrate that these systems also show charge resonance enhanced ionization as the bonds are stretched.

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

    SciTech Connect

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

    2007-12-01

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

  5. Satellite lines at the ionization threshold in charge transfer systems

    NASA Astrophysics Data System (ADS)

    Wardermann, W.; von Niessen, W.

    1992-01-01

    This article deals with the possibility of low-energy ionizations of reduced intensity for larger organic molecules. Possible mechanisms which may lead to this phenomenon are outlined and the necessary structural features are discussed. The lowest ionization energies of some organic unsaturated nitro and nitroso compounds are calculated by the ADC(3) ab initio many-body Green's function method. The π-electron system consists either of fused five- and six-membered rings or of two fused five-membered rings with a variable number of heteroatoms. Some of the molecules contain exocylic double bonds and some are substituted with the donor groups -NH 2, -OH and -NHOH. The strongest many-body effects are found for the nitroso compounds, where in one case the spectral line at the ionization threshold has lost more than 40% of its intensity to satellites. We study the many-body effects at or close to the ionization threshold for these compounds. A particular mechanism which involves the screening of localized valence holes by charge transfer excitations appears to be capable of influencing the profile and intensities of the ionization spectrum already at the ionization threshold. The effect leads to strongly reduced relative intensities of the bands and may cause the appearance of satellite bands nearly at the ionization threshold. The spectral changes in the outermost valence region are discussed by using a simple model calculation in terms of ground-state electronic properties of the molecules.

  6. Plasmadynamics and ionization kinetics of thermionic energy conversion

    SciTech Connect

    Lawless, J.L. Jr.; Lam, S.H.

    1982-02-01

    To reduce the plasma arc-drop, thermionic energy conversion is studied with both analytical and numerical tools. Simplifications are made in both the plasmadynamic and ionization-recombination theories. These are applied to a scheme proposed presently using laser irradiation to enhance the ionization kinetics of the thermionic plasma and thereby reduce the arc-drop. It is also predicted that it is possible to generate the required laser light from a thermionic-type cesium plasma. The analysis takes advantage of theoretical simplifications derived for the ionization-recombination kinetics. It is shown that large laser ionization enhancements can occur and that collisional cesium recombination lasing is expected. To complement the kinetic theory, a numerical method is developed to solve the thermionic plasma dynamics. To combine the analysis of ionization-recombination kinetics with the plasma dynamics of thermionic conversion, a finite difference computer program is constructed. It is capable of solving for both unsteady and steady thermionic converter behavior including possible laser ionization enhancement or atomic recombination lasing. A proposal to improve thermionic converter performance using laser radiation is considered. In this proposed scheme, laser radiation impinging on a thermionic plasma enhances the ionization process thereby raising the plasma density and reducing the plasma arc-drop. A source for such radiation may possibly be a cesium recombination laser operating in a different thermionic converter. The possibility of this being an energy efficient process is discussed. (WHK)

  7. Ultrafast molecular dynamics of dissociative ionization in OCS probed by soft x-ray synchrotron radiation

    NASA Astrophysics Data System (ADS)

    Ramadhan, Ali; Wales, Benji; Karimi, Reza; Gauthier, Isabelle; MacDonald, Michael; Zuin, Lucia; Sanderson, Joe

    2016-11-01

    Soft x-rays (90-173 eV) from the 3rd generation Canadian Light Source have been used in conjunction with a multi coincidence time and position sensitive detection apparatus to observe the dissociative ionization of OCS. By varying the x-ray energy we can compare dynamics from direct and Auger ionization processes, and access ionization channels which result in two or three body breakup, from 2+ to 4+ ionization states. We make several new observations for the 3+ state such as kinetic energy release limited by photon energy, and using Dalitz plots we can see evidence of timescale effects between the direct and Auger ionization process for the first time. Finally, using Dalitz plots for OCS4+ we observe for the first time that breakup involving an O2+ ion can only proceed from out of equilibrium nuclear arrangement for S(2p) Auger ionization.

  8. Rapid measurement of phytosterols in fortified food using gas chromatography with flame ionization detection.

    PubMed

    Duong, Samantha; Strobel, Norbert; Buddhadasa, Saman; Stockham, Katherine; Auldist, Martin; Wales, Bill; Orbell, John; Cran, Marlene

    2016-11-15

    A novel method for the measurement of total phytosterols in fortified food was developed and tested using gas chromatography with flame ionization detection. Unlike existing methods, this technique is capable of simultaneously extracting sterols during saponification thus significantly reducing extraction time and cost. The rapid method is suitable for sterol determination in a range of complex fortified foods including milk, cheese, fat spreads, oils and meat. The main enhancements of this new method include accuracy and precision, robustness, cost effectiveness and labour/time efficiencies. To achieve these advantages, quantification and the critical aspects of saponification were investigated and optimised. The final method demonstrated spiked recoveries in multiple matrices at 85-110% with a relative standard deviation of 1.9% and measurement uncertainty value of 10%.

  9. Calculation of electron-impact ionization of potassium

    NASA Astrophysics Data System (ADS)

    Bray, I.; Fursa, D. V.; Stelbovics, A. T.

    2009-11-01

    We calculate electron-impact ionization of potassium at a broad range of energies for the case where it is the valence electron that is ejected. The convergent close-coupling method is used to calculate the total and fully differential cross sections. The unusual shape of the total ionization spin asymmetries measured by Baum et al. [1] is explained. However, agreement with the fully differential cross section measurements of Murray [2] is somewhat mixed.

  10. Ionization oscillations in Hall accelerators

    NASA Astrophysics Data System (ADS)

    Barral, S.; Peradzyński, Z.

    2010-01-01

    The underlying mechanism of low-frequency oscillations in Hall accelerators is investigated theoretically. It is shown that relaxation oscillations arise from a competition between avalanche ionization and the advective transport of the working gas. The model derived recovers the slow progression and fast recession of the ionization front. Analytical approximations of the shape of current pulses and of the oscillation frequency are provided for the case of large amplitude oscillations.

  11. Description of the final instar larva of Orthetrum borneense Kimmins, 1936 (Odonata, Libellulidae), using rearing and molecular methods.

    PubMed

    Steinhoff, Philip O M; Butler, Stephen G; Dow, Rory A

    2016-02-18

    The final instar larva of Orthetrum borneense Kimmins, 1936, is described and figured for the first time based on exuviae from three male and six female larvae collected in Sarawak, Borneo (East Malaysia). It is compared with an early instar larva, which was matched to the adult O. borneense by DNA barcoding, and the known larvae of other species of this genus that occur in the region.

  12. Strong-field ionization of lithium

    SciTech Connect

    Schuricke, Michael; Zhu Ganjun; Steinmann, Jochen; Simeonidis, Konstantinos; Dorn, Alexander; Ullrich, Joachim; Ivanov, Igor; Kheifets, Anatoli; Grum-Grzhimailo, Alexei N.; Bartschat, Klaus

    2011-02-15

    We report photoelectron energy spectra, momentum, and angular distributions for the strong-field single ionization of lithium by 30-fs laser pulses. For peak intensities between 10{sup 11} and 10{sup 14} W/cm{sup 2} at a central wavelength of 785 nm, the classical over-the-barrier intensity was reached well inside the multiphoton regime. The complete vector momenta of the ionization fragments were recorded by a reaction microscope with a magneto-optically trapped target (MOTREMI). On the theoretical side, the time-dependent Schroedinger equation was solved by two independent methods seeking the solution directly on a radial grid. Distinct differences between the results of both calculations and also in comparison with experiment point to a high sensitivity of this reaction with respect to small details, particularly in the description of the Li{sup +} core.

  13. Ionization Phenomena in Ion-Atom Collisions

    NASA Astrophysics Data System (ADS)

    Deveney, Edward Francis

    Two many-electron ion-atom collision systems are used to investigate atomic and molecular structure and collisional interactions. Electrons emitted from MeV/u C^{3+} projectile target -atom collisions were measured with a high-resolution position -sensitive electron spectrometer at Oak Ridge National Laboratory. The electrons are predominantly ionized by direct projectile -target interactions or autoionizing (AI) from doubly excited AI levels of the ion which were excited in the collision. The energy dependence of directly scattered target electrons, binary-encounter electrons (BEE), is investigated and compared with theory. AI levels of the projectile 1s to nl single electron excited series, (1s2snl) n = 2,3,4,....infty, including the series limit are identified uniquely using energy level calculations. Original Auger yield calculations using a code by Cowan were used to discover a 1/{n^3} scaling in intensities of Auger peaks in the aforementioned series. This is explained using scattering theory. A nonstatistical population of the terms in the (1s2s2l) configuration was identified and investigated as a function of the beam energy and for four different target atoms. Two electron excited configurations are identified and investigated. The angular distribution of a correlated transfer and excitation AI state is measured and compared to theory. The final scattered charge state distributions of Kr^ {n+}, n = 1, 2, 3, 4, 5, projectiles are measured following collisions with Kr targets in the Van de Graaff Laboratory here at The University of Connecticut. Average scattered charge states as high as 12 are observed. It appears that these electrons are ionized during the lifetime of the quasimolecular state but a complete picture of the ionization mechanism(s) is not known. Calculations using a statistical model of ionization, modified in several ways, are compared with the experimental results to see if it is possible to isolate whether or not the electrons originate

  14. Nucleation in an ultra low ionization environment

    NASA Astrophysics Data System (ADS)

    Olaf Pepke Pedersen, Jens; Bødker Enghoff, Martin; Paling, Sean; Svensmark, Henrik

    2010-05-01

    Atmospheric ions can enhance the nucleation of aerosols, as has been established by experiments, observation, and theory. In the clean marine atmosphere ionization is mainly caused by cosmic rays which in turn are controlled by the activity of the Sun, thus providing a potential link between solar activity and climate. In order to understand the effect ions may have on the formation of cloud condensation nuclei and thus the Earth's radiation budget the overall contribution of ion induced nucleation to the global production of secondary aerosols must be determined. One issue with determining this contribution is that several mechanisms for nucleation exist and it can be difficult to determine the relative importance of the various mechanisms in a given nucleation event when both ion induced and electrically neutral nucleation mechanisms are at work at the same time. We have carried out nucleation experiments in the Boulby Underground Laboratory, located 1100 meters below ground, thus reducing the flux of ionizing cosmic radiation by six orders of magnitude. Similarly we have reduced the gamma background by shielding the experiment in lead and copper. Finally we have used air stored for several weeks and passed through an active charcoal filter in order to reduce the Radon concentration. In this way we have been able to make nucleation experiments with very low ionizing background, meaning that we can rule out ion induced nucleation as a contributing mechanism. Our experimental setup is a 50 L electropolished stainless steel reactor at near atmospheric conditions. The chamber contains clean air with the addition of water vapour, ozone, and sulphur dioxide. Using UV lights at 254 nm ozone is photolyzed, leading to the production of sulphuric acid and thus aerosols. An 18 MBq Caesium-137 gamma ray source with various amounts of lead in front allows us to alter the ionization in our chamber. By making series of nucleation bursts with varying amounts of ionizing

  15. Accurate quantification of creatinine in serum by coupling a measurement standard to extractive electrospray ionization mass spectrometry

    NASA Astrophysics Data System (ADS)

    Huang, Keke; Li, Ming; Li, Hongmei; Li, Mengwan; Jiang, You; Fang, Xiang

    2016-01-01

    Ambient ionization (AI) techniques have been widely used in chemistry, medicine, material science, environmental science, forensic science. AI takes advantage of direct desorption/ionization of chemicals in raw samples under ambient environmental conditions with minimal or no sample preparation. However, its quantitative accuracy is restricted by matrix effects during the ionization process. To improve the quantitative accuracy of AI, a matrix reference material, which is a particular form of measurement standard, was coupled to an AI technique in this study. Consequently the analyte concentration in a complex matrix can be easily quantified with high accuracy. As a demonstration, this novel method was applied for the accurate quantification of creatinine in serum by using extractive electrospray ionization (EESI) mass spectrometry. Over the concentration range investigated (0.166 ~ 1.617 μg/mL), a calibration curve was obtained with a satisfactory linearity (R2 = 0.994), and acceptable relative standard deviations (RSD) of 4.6 ~ 8.0% (n = 6). Finally, the creatinine concentration value of a serum sample was determined to be 36.18 ± 1.08 μg/mL, which is in excellent agreement with the certified value of 35.16 ± 0.39 μg/mL.

  16. Influence of solvothermal synthesis conditions in BiSI nanostructures for application in ionizing radiation detectors

    NASA Astrophysics Data System (ADS)

    Aguiar, I.; Mombrú, M.; Pérez Barthaburu, M.; Bentos Pereira, H.; Fornaro, L.

    2016-02-01

    BiSI belongs to the A V B VI C VII chalcohalides group of compounds. These compounds show several interesting properties such as ferroelectricity, piezoelectricity along the c axis, and photoconductivity. Moreover, BiSI is a potential semiconductor material for room-temperature gamma and x-ray detection, given its band gap of 1.57 eV and its high density, 6.41 g cm-3. In this work we present BiSI nanostructures synthesized by the solvothermal method with the intention of using them for ionizing radiation detection. The solvent was varied to study its influence in morphology, particle size and size distribution. Three different conditions were tested, using either water, monoethylene glycol and a mixture of both solvents. Nanostructures were characterized by XRD to determine the phase obtained and reaction completeness; TEM was used to observe nanostructures morphology, size, size distribution and crystallinity; and finally FT-IR diffuse reflectance was used to study monoethylene glycol presence in the samples. Nanorods in the range of 100-200 nm width were obtained in all samples, but round nanoparticles of around 10 nm in diameter were also detected in samples synthesized only with monoethylene glycol. Samples synthesized in monoethylene glycol were used to fabricate pellets to construct detectors. The detectors responded to ionizing radiation and a resistivity in the order of 1013 Ω cm was estimated. This work proposes, to our knowledge, the first study of BiSI for its application in ionizing radiation detection.

  17. Ionization Processes in the Atmosphere of Titan (Research Note). III. Ionization by High-Z Nuclei Cosmic Rays

    NASA Technical Reports Server (NTRS)

    Gronoff, G.; Mertens, C.; Lilensten, J.; Desorgher, L.; Fluckiger, E.; Velinov, P.

    2011-01-01

    Context. The Cassini-Huygens mission has revealed the importance of particle precipitation in the atmosphere of Titan thanks to in-situ measurements. These ionizing particles (electrons, protons, and cosmic rays) have a strong impact on the chemistry, hence must be modeled. Aims. We revisit our computation of ionization in the atmosphere of Titan by cosmic rays. The high-energy high-mass ions are taken into account to improve the precision of the calculation of the ion production profile. Methods. The Badhwahr and O Neill model for cosmic ray spectrum was adapted for the Titan model. We used the TransTitan model coupled with the Planetocosmics model to compute the ion production by cosmic rays. We compared the results with the NAIRAS/HZETRN ionization model used for the first time for a body that differs from the Earth. Results. The cosmic ray ionization is computed for five groups of cosmic rays, depending on their charge and mass: protons, alpha, Z = 8 (oxygen), Z = 14 (silicon), and Z = 26 (iron) nucleus. Protons and alpha particles ionize mainly at 65 km altitude, while the higher mass nucleons ionize at higher altitudes. Nevertheless, the ionization at higher altitude is insufficient to obscure the impact of Saturn s magnetosphere protons at a 500 km altitude. The ionization rate at the peak (altitude: 65 km, for all the different conditions) lies between 30 and 40/cu cm/s. Conclusions. These new computations show for the first time the importance of high Z cosmic rays on the ionization of the Titan atmosphere. The updated full ionization profile shape does not differ significantly from that found in our previous calculations (Paper I: Gronoff et al. 2009, 506, 955) but undergoes a strong increase in intensity below an altitude of 400 km, especially between 200 and 400 km altitude where alpha and heavier particles (in the cosmic ray spectrum) are responsible for 40% of the ionization. The comparison of several models of ionization and cosmic ray spectra (in

  18. The study of the effects of ionizing and non-ionizing radiations on birth weight of newborns to exposed mothers

    PubMed Central

    Mortazavi, S. M. J.; Shirazi, K. R.; Mortazavi, G.

    2013-01-01

    Objectives: Life evolved in an environment filled with a wide variety of ionizing and non-ionizing radiation. It was previously reported that medical exposures to pregnant women increases the risk of low birth weight. This study intends to investigate the relationship between exposure to ionizing and non-ionizing radiation and the risk of low birth weight. Materials and Methods: One thousand two hundred mothers with their first-term labor (vaginal or cesarean) whose newborns’ history had been registered in neonates’ screening program in Shiraz were interviewed and surveyed. Data collection was performed by the assessment of mother's history of radiography before and during pregnancy, physical examination of the mother for height and weight and weighing and examining the newborn for any diagnosis of disease and anomalies. Results: There were no statistical significant differences between the mean weight of newborns whose mothers had been exposed to some common sources of ionizing and non-ionizing radiations such as dental or non dental radiographies, mobile phone, cordless phone and cathode ray tube (CRT) and those of non-exposed mothers. Conclusions: The findings of this study cast doubt on previous reports, which indicated that exposure to ionizing radiation during pregnancy increased the risk of low birth weight. PMID:23633865

  19. Validation of a liquid chromatography-electrospray ionization-tandem mass spectrometry method for determination of all-trans retinoic acid in human plasma and its application to a bioequivalence study.

    PubMed

    Peng, Jing-Bo; Luo, Chen-Hui; Wang, Yi-Cheng; Huang, Wei-Hua; Chen, Yao; Zhou, Hong-Hao; Tan, Zhi-Rong

    2014-01-17

    A sensitive, reliable and specific LC-MS-MS method was developed and validated for the identification and quantitation of all-trans retinoic acid (ATRA) in human plasma. Acitretin was used as the internal standard (IS). After liquid-liquid extraction of 500 μL plasma with methyl tert-butyl ether (MTBE), ATRA and the IS were chromatographed on a HyPURITY C18 column (150 mm×2.1 mm, 5 μm) with the column temperature set at 40 °C. The mobile phase was consisted of 40% phase A (MTBE-methanol-acetic acid, 50:50:0.5, v/v) and 60% phase B (water-methanol-acetic acid, 50:50:0.5, v/v) with a flow rate of 0.3 mL/min. The API 4000 triple quadrupole mass spectrometer was operated in multiple reaction monitoring (MRM) mode via the positive electrospray ionization interface using the transition m/z 301.4→123.1 for ATRA and m/z 326.9→177.1 for IS, respectively. The calibration curve was linear over the range of 0.45-217.00 ng/mL (r≥0.999) with a lower limit of quantitation (LLOQ) of 0.45 ng/mL. The intra- and inter-day precisions values were below 8% relative standard deviation and the accuracy was from 98.98% to 106.19% in terms of relative error. The validated method was successfully applied in a bioequivalence study of ATRA in Chinese healthy volunteers.

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

    PubMed Central

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

    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 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. PMID:26582511

  1. On the SIMS Ionization Probability of Organic Molecules

    NASA Astrophysics Data System (ADS)

    Popczun, Nicholas J.; Breuer, Lars; Wucher, Andreas; Winograd, Nicholas

    2017-03-01

    The prospect of improved secondary ion yields for secondary ion mass spectrometry (SIMS) experiments drives innovation of new primary ion sources, instrumentation, and post-ionization techniques. The largest factor affecting secondary ion efficiency is believed to be the poor ionization probability (α+) of sputtered material, a value rarely measured directly, but estimated to be in some cases as low as 10-5. Our lab has developed a method for the direct determination of α+ in a SIMS experiment using laser post-ionization (LPI) to detect neutral molecular species in the sputtered plume for an organic compound. Here, we apply this method to coronene (C24H12), a polyaromatic hydrocarbon that exhibits strong molecular signal during gas-phase photoionization. A two-dimensional spatial distribution of sputtered neutral molecules is measured and presented. It is shown that the ionization probability of molecular coronene desorbed from a clean film under bombardment with 40 keV C60 cluster projectiles is of the order of 10-3, with some remaining uncertainty arising from laser-induced fragmentation and possible differences in the emission velocity distributions of neutral and ionized molecules. In general, this work establishes a method to estimate the ionization efficiency of molecular species sputtered during a single bombardment event.

  2. On the SIMS Ionization Probability of Organic Molecules.

    PubMed

    Popczun, Nicholas J; Breuer, Lars; Wucher, Andreas; Winograd, Nicholas

    2017-03-06

    The prospect of improved secondary ion yields for secondary ion mass spectrometry (SIMS) experiments drives innovation of new primary ion sources, instrumentation, and post-ionization techniques. The largest factor affecting secondary ion efficiency is believed to be the poor ionization probability (α(+)) of sputtered material, a value rarely measured directly, but estimated to be in some cases as low as 10(-5). Our lab has developed a method for the direct determination of α(+) in a SIMS experiment using laser post-ionization (LPI) to detect neutral molecular species in the sputtered plume for an organic compound. Here, we apply this method to coronene (C24H12), a polyaromatic hydrocarbon that exhibits strong molecular signal during gas-phase photoionization. A two-dimensional spatial distribution of sputtered neutral molecules is measured and presented. It is shown that the ionization probability of molecular coronene desorbed from a clean film under bombardment with 40 keV C60 cluster projectiles is of the order of 10(-3), with some remaining uncertainty arising from laser-induced fragmentation and possible differences in the emission velocity distributions of neutral and ionized molecules. In general, this work establishes a method to estimate the ionization efficiency of molecular species sputtered during a single bombardment event. Graphical Abstract .

  3. Non-traditional applications of laser desorption/ionization mass spectrometry

    NASA Astrophysics Data System (ADS)

    McAlpin, Casey R.

    protonated free analyte molecules. Expanded applications of MOLI MS were developed following description of the ionization mechanism. A series of experiments were carried out involving treatment of metal oxide surfaces with reagent molecules to expand MOLI MS and develop enhanced MOLI MS methodologies. It was found that treatment of the metal oxide surface with a small molecule to act as a proton source expanded MOLI MS to analytes which did not form acidic adsorbed species. Proton-source pretreated MOLI MS was then used for the analysis of oils obtained from the fast, anoxic pyrolysis of biomass (py-oil). These samples are complex and produce MOLI mass spectra with many peaks. In this experiment, methods of data reduction including Kendrick mass defects and nominal mass z*-scores, which are commonly used for the study of petroleum fractions, were used to interpret these spectra and identify the major constituencies of py-oils. Through data reduction and collision induced dissociation (CID), homologous series of compounds were rapidly identified. The final chapter involves using metal oxides to catalytically cleave the ester linkage on lipids containing fatty acids in addition to ionization. The cleavage process results in the production of spectra similar to those observed with saponification/methylation. Fatty acid profiles were generated for a variety of micro-organisms to differentiate between bacterial species. (Abstract shortened by UMI.)

  4. Zero-Net-Charge Air Ionizer

    NASA Technical Reports Server (NTRS)

    Woods, W. R., Jr.

    1985-01-01

    Instrument monitors air supplied by air ionizer and regulates ionizer to ensure net charge neutral. High-impedance electrometer and nulling control amplifier regulate output of air ionizer. Primarily intended to furnish ionized air having no net charge, instrument adaptable to generating air with positive or negative net charge is so desired. Useful where integrated circuit chips are manufactured, inspected, tested or assembled.

  5. Mass analyzed threshold ionization spectroscopy of p-fluorostyrene

    NASA Astrophysics Data System (ADS)

    Georgiev, S.; Neusser, H. J.; Chakraborty, Tapas

    2004-05-01

    Adiabatic ionization energy (AIE) and two-color threshold ion vibrational spectra of p-fluorostyrene have been measured by mass analyzed threshold ionization (MATI) method via three different intermediate levels in the first excited state, vibrationless S1 origin, 421411, and 231 vibronic levels. Features of the ion vibrational spectra indicates that the geometry of the molecular ion including the conformation of the vinyl chain in the ionic ground state (D0) is almost identical to that of its neutral ground state (S0), and ionization has very little effect on the vibrational potentials of the aromatic ring modes. Comparison of the AIE with the reported value of styrene shows that fluorination at the para position of the aromatic ring has little effect on energy of the electron ejected in ionization process from the styrene chromophore.

  6. Ionization dynamics of small water clusters: Proton transfer rate

    NASA Astrophysics Data System (ADS)

    Tachikawa, Hiroto; Takada, Tomoya

    2016-08-01

    The surfaces of icy planets and comets are composed of frozen water (H2O), carbon dioxide (CO2), and methane (CH4). These surfaces are irradiated by solar wind and cosmic rays from the interstellar space and they cause ionization of surface molecules. In this report, the effects of ionization of cold water clusters have been investigated using a direct ab initio molecular dynamics (AIMD) method to elucidate the rate of proton transfer (PT) in cations of small water clusters (H2O)n (n = 2-7). After ionization of the water clusters, PT occurred in all the cluster cations, and dissociation of the OH radical occurred for n = 4-7. The time of PT decreased with increasing the cluster size at n = 2-5 and reached a limiting value at n = 6 and 7. The mechanism of the PT process in ionized water clusters was discussed based on the theoretical results.

  7. Electron impact ionization of cycloalkanes, aldehydes, and ketones

    SciTech Connect

    Gupta, Dhanoj; Antony, Bobby

    2014-08-07

    The theoretical calculations of electron impact total ionization cross section for cycloalkane, aldehyde, and ketone group molecules are undertaken from ionization threshold to 2 keV. The present calculations are based on the spherical complex optical potential formalism and complex scattering potential ionization contribution method. The results of most of the targets studied compare fairly well with the recent measurements, wherever available and the cross sections for many targets are predicted for the first time. The correlation between the peak of ionization cross sections with number of target electrons and target parameters is also reported. It was found that the cross sections at their maximum depend linearly with the number of target electrons and with other target parameters, confirming the consistency of the values reported here.

  8. Multivariate methods for hadronic final states in electron-positron collisions at center of mass energy = 500 GeV

    NASA Astrophysics Data System (ADS)

    Pathak, Saurav

    We approach the hadronic final state events in a future linear collider at s = 500 GeV from the knowledge discovery (data mining) point of view. We present FastCal, a fast configurable calorimeter Monte Carlo simulator for linear collider detector simulations that produces data at a rate that is 3000 times that of full simulation. Neural networks based on earlystopping are designed for the jet-combinatorial problem. CJNN, a neural network package is presented for use in the linear collider analysis environment. Neural network performances are optimized by implementing an ensemble of neural networks. A binary tree is used to obtain novel automatic cuts on physics variables. Data visualization is introduced as a crucial component of data analysis, and principal component analysis is used to understand data distributions and structures in multiple dimensions. Finally, cluster analyses with fuzzy c-means and demographic clustering are used to partition data automatically in an unsupervised regime, and we show that for fruitful use of these algorithms, understanding the data structures is crucial.

  9. An advanced oxidation process using ionized gas for wastewater treatment.

    PubMed

    Lee, Eun Ju; Chung, Paul Gene; Kwak, Dong Heui; Kim, Lee Hyung; Kim, Min Jeong

    2010-01-01

    This study on removing non-degradable materials in wastewater focused primarily on advanced oxidation methods such as ozone, ozone/UV and ozone/H2O2. Wastewater treatment using an ionized gas from plasma has been actively progressing. The ionized gas involves reactive species such as O2+, O2- cluster, O radical and OH radical. Since the ionized gas method has such outstanding characteristics as relatively simple structures, non-calorification, non-toxicity and low electricity consumption, it evidently of interest as a new process. A series of experiments were conducted to demonstrate the feasibility of ionized gas as a useful element for the diminution of nondegradable organic matters. On the other hand, a large amount of organic matters were changed to hydrophilic and the compounds containing aromatic functional group gradually decreased. The results implied that the ionized gas has been able to degrade the non-biodegradable organic matters. Therefore, the oxidation process by using an ionized gas process could be considered as an effective alternative unit in water and wastewater treatment plants.

  10. Laboratory development and field evaluation of a generic method for sampling and analysis of isocyanates. Revised final report

    SciTech Connect

    McGaughey, J.F.; Foster, S.C.; Merrill, R.G.

    1995-09-01

    The U.S. Environmental Protection Agency (EPA), under the authority of Title III of the Clean Air Act Amendments (CAAA) of 1990, requires the identification and validation of sampling and analytical methods for the isocyanate compounds which are listed among the 189 hazardous air pollutants identified in Title III. In all, three field tests were performed to accomplish the isocyanate field evaluation. The objective of this work was to develop and evaluate the isocyanate sampling and analytical test method through field testing at operating stationary sources. The method was evaluated by collecting flue gas samples for the analysis of the individual isocyanate and evaluating the data for bias and precision. EPA Method 301, Field Validation of Pollutant Measurement Methods from Various Waste Media, was used as the model for the experimental design of this method evaluation project.

  11. The Phobos neutral and ionized torus

    NASA Astrophysics Data System (ADS)

    Poppe, A. R.; Curry, S. M.; Fatemi, S.

    2016-05-01

    Charged particle sputtering, micrometeoroid impact vaporization, and photon-stimulated desorption are fundamental processes operating at airless surfaces throughout the solar system. At larger bodies, such as Earth's Moon and several of the outer planet moons, these processes generate tenuous surface-bound exospheres that have been observed by a variety of methods. Phobos and Deimos, in contrast, are too gravitationally weak to keep ejected neutrals bound and, thus, are suspected to generate neutral tori in orbit around Mars. While these tori have not yet been detected, the distribution and density of both the neutral and ionized components are of fundamental interest. We combine a neutral Monte Carlo model and a hybrid plasma model to investigate both the neutral and ionized components of the Phobos torus. We show that the spatial distribution of the neutral torus is highly dependent on each individual species (due to ionization rates that span nearly 4 orders of magnitude) and on the location of Phobos with respect to Mars. Additionally, we present the flux distribution of torus pickup ions throughout the Martian system and estimate typical pickup ion fluxes. We find that the predicted pickup ion fluxes are too low to perturb the ambient plasma, consistent with previous null detections by spacecraft around Mars.

  12. Atmospheric-pressure Penning ionization mass spectrometry.

    PubMed

    Hiraoka, Kenzo; Fujimaki, Susumu; Kambara, Shizuka; Furuya, Hiroko; Okazaki, Shigemitsu

    2004-01-01

    A preliminary study on the atmospheric-pressure Penning ionization (APP(e)I) of gaseous organic compounds with Ar* has been made. The metastable argon atoms (Ar*: 11.55 eV for (3)P(2) and 11.72 eV for (3)P(0)) were generated by the negative-mode corona discharge of atmospheric-pressure argon gas. By applying a high positive voltage (+500 to +1000 V) to the stainless steel capillary for the sample introduction (0.1 mm i.d., 0.3 mm o.d.), strong ion signals could be obtained. The ions formed were sampled through an orifice into the vacuum and mass-analyzed by an orthogonal time-of-flight mass spectrometer. The major ions formed by APP(e)I are found to be molecular-related ions for alkanes, aromatics, and oxygen-containing compounds. Because only the molecules with ionization energies less than the internal energy of Ar* are ionized, the present method will be a selective and highly sensitive interface for gas chromatography/mass spectrometry.

  13. Numerical methods for matrix computations using arrays of processors. Final report, 15 August 1983-15 October 1986

    SciTech Connect

    Golub, G.H.

    1987-04-30

    The basic objective of this project was to consider a large class of matrix computations with particular emphasis on algorithms that can be implemented on arrays of processors. In particular, methods useful for sparse matrix computations were investigated. These computations arise in a variety of applications such as the solution of partial differential equations by multigrid methods and in the fitting of geodetic data. Some of the methods developed have already found their use on some of the newly developed architectures.

  14. An improved high performance liquid chromatography-photodiode array detection-atmospheric pressure chemical ionization-mass spectrometry method for determination of chlorophylls and their derivatives in freeze-dried and hot-air-dried Rhinacanthus nasutus (L.) Kurz.

    PubMed

    Kao, Tsai Hua; Chen, Chia Ju; Chen, Bing Huei

    2011-10-30

    Rhinacanthus nasutus (L.) Kurz, a traditional Chinese herb possessing antioxidant and anti-cancer activities, has been reported to contain functional components like carotenoids and chlorophylls. However, the variety and amount of chlorophylls remain uncertain. The objectives of this study were to develop a high performance liquid chromatography-photodiode array detection-atmospheric pressure chemical ionization-mass spectrometry (HPLC-DAD-APCI-MS) method for determination of chlorophylls and their derivatives in hot-air-dried and freeze-dried R. nasutus. An Agilent Eclipse XDB-C18 column and a gradient mobile phase composed of methanol/N,N-dimethylformamide (97:3, v/v), acetonitrile and acetone were employed to separate internal standard zinc-phthalocyanine plus 12 cholorophylls and their derivatives within 21 min, including chlorophyll a, chlorophyll a', hydroxychlorophyll a, 15-OH-lactone chlorophyll a, chlorophyll b, chlorophyll b', hydroxychlorophyll b, pheophytin a, pheophytin a', hydroxypheophytin a, hydroxypheophytin a' and pheophytin b in hot-air-dried R. nasutus with flow rate at 1 mL/min and detection at 660 nm. But, in freeze-dried R. nasutus, only 4 chlorophylls and their derivatives, including chlorophyll a, chlorophyll a', chlorophyll b and pheophytin a were detected. Zinc-phthalocyanine was found to be an appropriate internal standard to quantify all the chlorophyll compounds. After quantification by HPLC-DAD, both chlorophyll a and pheophytin a were the most abundant in hot-air-dried R. nasutus, while in freeze-dried R. nasutus, chlorophyll a and chlorophyll b dominated.

  15. B-spline R-matrix-with-pseudostates calculations for electron-impact excitation and ionization of nitrogen

    NASA Astrophysics Data System (ADS)

    Wang, Yang; Zatsarinny, Oleg; Bartschat, Klaus

    2014-06-01

    The B-spline R-matrix-with-pseudostates (BSR) method is employed to treat electron collisions with nitrogen atoms. Predictions for elastic scattering, excitation, and ionization are presented for all transitions between the lowest 21 states of nitrogen in the energy range from threshold to 120 eV. The structure description has been further improved compared to a previous BSR calculation by Tayal and Zatsarinny [J. Phys. B 38, 3631 (2005), 10.1088/0953-4075/38/20/001]. This change in the structure model, together with the inclusion of a large number of pseudostates in the close-coupling expansion, has a major influence on the theoretical predictions, especially at intermediate energies, where many of the excitation cross sections are reduced significantly. Ionization cross sections for the ground and metastable initial states are also provided. Finally, we carry out an accurate ab initio treatment of the prominent shape resonance just above the elastic threshold.

  16. COMPARISON OF THREE METHODS OF READING INSTRUCTION (ITA, DMS, TO), RESULTS AT THE END OF THIRD GRADE. FINAL REPORT.

    ERIC Educational Resources Information Center

    FRY, EDWARD

    THREE METHODS OF TEACHING READING, THE INITIAL TEACHING ALPHABET (ITA), THE DIACRITICAL MARKING SYSTEM (DMS), AND THE TRADITIONAL ORTHOGRAPHY (TO) METHOD WERE COMPARED IN 21 FIRST GRADES FOR THE THIRD YEAR. A FOLLOWUP STUDY WAS MADE OF THE NEW DMS GROUP FOR A SECOND YEAR. TWO HUNDRED NINETY-NINE STUDENTS OF AN ORIGINAL SAMPLE OF 393 STUDENTS WERE…

  17. A new method for recognizing quadric surfaces from range data and its application to telerobotics and automation, final phase

    NASA Technical Reports Server (NTRS)

    Mielke, Roland; Dcunha, Ivan; Alvertos, Nicolas

    1994-01-01

    In the final phase of the proposed research a complete top to down three dimensional object recognition scheme has been proposed. The various three dimensional objects included spheres, cones, cylinders, ellipsoids, paraboloids, and hyperboloids. Utilizing a newly developed blob determination technique, a given range scene with several non-cluttered quadric surfaces is segmented. Next, using the earlier (phase 1) developed alignment scheme, each of the segmented objects are then aligned in a desired coordinate system. For each of the quadric surfaces based upon their intersections with certain pre-determined planes, a set of distinct features (curves) are obtained. A database with entities such as the equations of the planes and angular bounds of these planes has been created for each of the quadric surfaces. Real range data of spheres, cones, cylinders, and parallelpipeds have been utilized for the recognition process. The developed algorithm gave excellent results for the real data as well as for several sets of simulated range data.

  18. Single ionization of molecular iodine

    NASA Astrophysics Data System (ADS)

    Smith, Dale L.; Tagliamonti, Vincent; Dragan, James; Gibson, George N.

    2017-01-01

    We performed a study of the single ionization of iodine, I2 over a range of wavelengths. Single ionization of I2 is unexpectedly found to have a contribution from inner molecular orbitals involving the 5 s electrons. The I+I+ dissociation channel was recorded through velocity map imaging, and the kinetic-energy release of each channel was determined with two-dimensional fitting of the images. Most of the measured kinetic-energy data were inconsistent with ionization to the X , A , and B states of I2 + , implying ionization from deeper orbitals. A pump-probe Fourier transform technique was used to look for modulation at the X - and A -state vibrational frequencies to see if they were intermediate states in a two-step process. X - and A -state modulation was seen only for kinetic-energy releases below 0.2 eV, consistent with dissociation through the B state. From these results and intensity-, polarization-, and wavelength-dependent experiments we found no evidence of bond softening, electron rescattering, or photon mediation through the X or A states to higher-energy single-ionization channels.

  19. Validated method for the simultaneous determination of Delta9-THC and Delta9-THC-COOH in oral fluid, urine and whole blood using solid-phase extraction and liquid chromatography-mass spectrometry with electrospray ionization.

    PubMed

    Teixeira, Helena; Verstraete, Alain; Proença, Paula; Corte-Real, Francisco; Monsanto, Paula; Vieira, Duarte Nuno

    2007-08-06

    A fully validated, sensitive and specific method for the extraction and quantification of Delta(9)-tetrahydrocannabinol (THC) and 11-nor-9-carboxy-Delta(9)-THC (THC-COOH) and for the detection of 11-hydroxy-Delta(9)-THC (11-OH THC) in oral fluid, urine and whole blood is presented. Solid-phase extraction and liquid chromatography-mass spectrometry (LC-MS) technique were used, with electrospray ionization. Three ions were monitored for THC and THC-COOH and two for 11-OH THC. The compounds were quantified by selected ion recording of m/z 315.31, 329.18 and 343.16 for THC, 11-OH THC and THC-COOH, respectively, and m/z 318.27 and 346.26 for the deuterated internal standards, THC-d(3) and THC-COOH-d(3), respectively. The method proved to be precise for THC and THC-COOH both in terms of intra-day and inter-day analysis, with intra-day coefficients of variation (CV) less than 6.3, 6.6 and 6.5% for THC in saliva, urine and blood, respectively, and 6.8 and 7.7% for THC-COOH in urine and blood, respectively. Day-to-day CVs were less than 3.5, 4.9 and 11.3% for THC in saliva, urine and blood, respectively, and 6.2 and 6.4% for THC-COOH in urine and blood, respectively. Limits of detection (LOD) were 2 ng/mL for THC in oral fluid and 0.5 ng/mL for THC and THC-COOH and 20 ng/mL for 11-OH THC, in urine and blood. Calibration curves showed a linear relationship for THC and THC-COOH in all samples (r(2)>0.999) within the range investigated. The procedure presented here has high specificity, selectivity and sensitivity. It can be regarded as an alternative method to GC-MS for the confirmation of positive immunoassay test results, and can be used as a suitable analytical tool for the quantification of THC and THC-COOH in oral fluid, urine and/or blood samples.

  20. Novel methods for physical mapping of the human genome applied to the long arm of chromosome 5. Final report

    SciTech Connect

    McClelland, M.

    1991-12-01

    The object of our current grant is to develop novel methods for mapping of the human genome. The techniques to be assessed were: (1) three methods for the production of unique sequence clones from the region of interest; (2) novel methods for the production and separation of multi-megabase DNA fragments; (3) methods for the production of ``physical linking clones`` that contain rare restriction sites; (4) application of these methods and available resources to map the region of interest. Progress includes: In the first two years methods were developed for physical mapping and the production of arrayed clones; We have concentrated on developing rare- cleavage tools based or restriction endonucleases and methylases; We studied the effect of methylation on enzymes used for PFE mapping of the human genome; we characterized two new isoschizomers of rare cutting endonucleases; we developed a reliable way to produce partial digests of DNA in agarose plugs and applied it to the human genome; and we applied a method to double the apparent specificity of the ``rare-cutter`` endonucleases.

  1. Impact of the codec and various QoS methods on the final quality of the transferred voice in an IP network

    NASA Astrophysics Data System (ADS)

    Slavata, Oldřich; Holub, Jan

    2015-02-01

    This paper deals with an analysis of the relation between the codec that is used, the QoS method, and the final voice transmission quality. The Cisco 2811 router is used for adjusting QoS. VoIP client Linphone is used for adjusting the codec. The criterion for transmission quality is the MOS parameter investigated with the ITU-T P.862 PESQ and P.863 POLQA algorithms.

  2. Choosing between atmospheric pressure chemical ionization and electrospray ionization interfaces for the HPLC/MS analysis of pesticides

    USGS Publications Warehouse

    Thurman, E.M.; Ferrer, I.; Barcelo, D.

    2001-01-01

    An evaluation of over 75 pesticides by high-performance liquid chromatography/mass spectrometry (HPLC/MS) clearly shows that different classes of pesticides are more sensitive using either atmospheric pressure chemical ionization (APCI) or electrospray ionization (ESI). For example, neutral and basic pesticides (phenylureas, triazines) are more sensitive using APCI (especially positive ion). While cationic and anionic herbicides (bipyridylium ions, sulfonic acids) are more sensitive using ESI (especially negative ion). These data are expressed graphically in a figure called an ionization-continuum diagram, which shows that protonation in the gas phase (proton affinity) and polarity in solution, expressed as proton addition or subtraction (pKa), is useful in selecting APCI or ESI. Furthermore, sodium adduct formation commonly occurs using positive ion ESI but not using positive ion APCI, which reflects the different mechanisms of ionization and strengthens the usefulness of the ionization-continuum diagram. The data also show that the concept of "wrong-way around" ESI (the sensitivity of acidic pesticides in an acidic mobile phase) is a useful modification of simple pKa theory for mobile-phase selection. Finally, this finding is used to enhance the chromatographic separation of oxanilic and sulfonic acid herbicides while maintaining good sensitivity in LC/MS using ESI negative.

  3. Electron induced inelastic and ionization cross section for plasma modeling

    NASA Astrophysics Data System (ADS)

    Verma, Pankaj; Mahato, Dibyendu; Kaur, Jaspreet; Antony, Bobby

    2016-09-01

    The present paper reports electron impact total inelastic and ionization cross section for silicon, germanium, and tin tetrahalides at energies varying from ionization threshold of the target to 5000 eV. These cross section data over a wide energy domain are very essential to understand the physico-chemical processes involved in various environments such as plasma modeling, semiconductor etching, atmospheric sciences, biological sciences, and radiation physics. However, the cross section data on the above mentioned molecules are scarce. In the present article, we report the computation of total inelastic cross section using spherical complex optical potential formalism and the estimation of ionization cross section through a semi-empirical method. The present ionization cross section result obtained for SiCl4 shows excellent agreement with previous measurements, while other molecules have not yet been investigated experimentally. Present results show more consistent behaviour than previous theoretical estimates. Besides cross sections, we have also studied the correlation of maximum ionization cross section with the square root of the ratio of polarizability to ionization potential for the molecules with known polarizabilities. A linear relation is observed between these quantities. This correlation is used to obtain approximate polarizability volumes for SiBr4, SiI4, GeCl4, GeBr4, and GeI4 molecules.

  4. (e,2e) ionization studies of diatomic & triatomic molecules

    NASA Astrophysics Data System (ADS)

    Nixon, Kate; Murray, Andrew; Kaiser, Christian; Al-Hagan, Ola; Colgan, James; Madison, Don

    2009-10-01

    (e,2e) studies yield the most detailed experimental data on electron impact ionization of atomic & molecular targets for comparison to quantum collision theories. Coincidence techniques are here used to measure the probability of ionization as a function of the incident electron scattering angle and angle of the electron ejected from the target. In Manchester we study this process at low energies, where the ionization probability is greatest & the interaction most complex. We recently considered ionization of simple molecules (eg H2 & H2O) from a coplanar geometry to the perpendicular plane[1-4], and have discovered the interaction is far more complex than for ionization of atoms [5]. We here present comparisons between theory & experiment, and discuss new methods we intend to implement to study ionization from laser-aligned atoms & molecules. References. [1] J Colgan et al Phys Rev Lett 101 233201 (2008) [2] O Al-Hagan et al Nature Physics 5 59 (2009) [3] J Colgan et al Phys Rev A 79 052704 (2009) [4] C Kaiser et al J Phys B 40 2563 (2007) [5] A J Murray et al J Phys B 36 4875 (2003) & references therein

  5. POHC (principal organic hazardous constituent) analysis methods for hazardous-waste incineration. Volume 2. Final report, April 1983-April 1984

    SciTech Connect

    James, R.H.; Adams, R.E.; Miller, H.C.

    1987-08-01

    This report gives preliminary data on methodology for two groups of compounds: organometallics and other organic compounds difficult to measure by the generalized methods. Previous work (Contract 68-02-2685, Task 111, and Task 1 of this contract) involved the evaluation of generalized GC/FID, GC/MS, and HPLC/UV methods for determining approximately 170 compounds from the approximately 400 compounds in Appendix VIII, Part 261, 40 CFR. However, the survey analysis portion of waste characterization often targets specific compounds for determination in incinerator effluent that are not amenable to previously developed methods. Therefore current research involves the development of specific GC/FID, GC/MS, and HPLC/UV methods for the determination of several of these compounds. Organometallic compounds such as benzenearsonic acid, hydroxydimethylarsine oxide (cacodylic acid), phenylmercury acetate, selenourea, and tetraethyl lead were selected as candidate POHCs for this study. In support of the destruction and removal efficiency requirement, generalized GC/FID, GC/MS, and HPLC/UV analysis methods were evaluated and, when necessary, modified for the detemiination of 33 additional candidate POHCs.

  6. Towards metals analysis using corona discharge ionization ion mobility spectrometry.

    PubMed

    Jafari, Mohammad T; Saraji, Mohammad; Sherafatmand, Hossein

    2016-02-25

    For the first time, the capability of corona discharge ionization ion mobility spectrometry (CD-IMS) in the determination of metal complex was evaluated. The extreme simplicity of dispersive liquid-liquid microextraction (DLLME) coupled to the high sensitivity of CD-IMS measurement could make this combination really useful for simple, rapid, and sensitive determination of metals in different samples. In this regard, mercury, as a model metal, was complexed with diethyldithiocarbamate (DEDTC), and then extracted into the carbon tetrachloride using DLLME. Some parameters affecting the extraction efficiency, including the type and volume of the extraction solvent, the type and volume of the disperser solvent, the concentration of the chelating agent, salt addition and, pH were exhaustively investigated. Under the optimized condition, the enrichment factor was obtained to be 142. The linear range of 0.035-10.0 μg mL(-1) with r(2) = 0.997 and the detection limit of 0.010 μg mL(-1) were obtained. The relative standard deviation values were calculated to be lower than 4% and 8% for intra-day and inter-day, respectively. Finally, the developed method was successfully applied for the extraction and determination of mercury in various real samples. The satisfactory results revealed the capability of the proposed method in trace analysis without tedious derivatization or hydride generation.

  7. Applicability of an in-House Saponin-Based Extraction Method in Bruker Biotyper Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry System for Identification of Bacterial and Fungal Species in Positively Flagged Blood Cultures.

    PubMed

    Chien, Jung-Yien; Lee, Tai-Fen; Du, Shin-Hei; Teng, Shih-Hua; Liao, Chun-Hsing; Sheng, Wang-Hui; Teng, Lee-Jene; Hsueh, Po-Ren

    2016-01-01

    We used an in-house saponin-based extraction method to evaluate the performance of the Bruker Biotyper matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF/MS) system for the identification of bacteria and fungi in 405 positively flagged blood culture bottles. Results obtained from MALDI-TOF/MS were compared with those obtained using conventional phenotypic identification methods. Of the 405 positively flagged blood culture bottles, 365 showed monomicrobal growth and were correctly identified to the species (72.1%) or genus (89.6%) level using the Bruker Biotyper system. The remaining 40 positively flagged blood culture bottles showed polymicrobial growth. Of them, 82.5% (n = 33) of the isolates were correctly identified to the species level and 92.5% (n = 37) to the genus level using the Bruker Biotyper system. The overall accuracy of identification to the genus level in flagged blood cultures was 89.5% for Gram-positive organisms, 93.5% for Gram-negative pathogens and 71.9% for fungi. Confidence scores were ≥1.500 for 307 (75.8%) bottles, ≥1.700 for 249 (61.5%) bottles and ≥2.000 for 142 (35.1%) bottles. None of the yeast cultures yielded scores ≥1.700. Using an identification-score cutoff of ≥1.500, the MALDI Biotyper correctly identified 99.2% of Gram-positive bacteria, 97.6% of Gram-negative bacteria and 100% of yeast isolates to the genus level and 77.6% of Gram-positive bacteria, 87.1% of Gram-negative bacteria and 100.0% of yeast isolates to the species level. The overall rate of identification using our protocol was 89.9% (364/405) for genus level identification and 73.1% (296/405) for species level identification. Yeast isolates yielded the lowest confidence scores, which compromised the accuracy of identification. Further optimization of the protein extraction procedure in positive blood cultures is needed to improve the rate of identification.

  8. Applicability of an in-House Saponin-Based Extraction Method in Bruker Biotyper Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry System for Identification of Bacterial and Fungal Species in Positively Flagged Blood Cultures

    PubMed Central

    Chien, Jung-Yien; Lee, Tai-Fen; Du, Shin-Hei; Teng, Shih-Hua; Liao, Chun-Hsing; Sheng, Wang-Hui; Teng, Lee-Jene; Hsueh, Po-Ren

    2016-01-01

    We used an in-house saponin-based extraction method to evaluate the performance of the Bruker Biotyper matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF/MS) system for the identification of bacteria and fungi in 405 positively flagged blood culture bottles. Results obtained from MALDI-TOF/MS were compared with those obtained using conventional phenotypic identification methods. Of the 405 positively flagged blood culture bottles, 365 showed monomicrobal growth and were correctly identified to the species (72.1%) or genus (89.6%) level using the Bruker Biotyper system. The remaining 40 positively flagged blood culture bottles showed polymicrobial growth. Of them, 82.5% (n = 33) of the isolates were correctly identified to the species level and 92.5% (n = 37) to the genus level using the Bruker Biotyper system. The overall accuracy of identification to the genus level in flagged blood cultures was 89.5% for Gram-positive organisms, 93.5% for Gram-negative pathogens and 71.9% for fungi. Confidence scores were ≥1.500 for 307 (75.8%) bottles, ≥1.700 for 249 (61.5%) bottles and ≥2.000 for 142 (35.1%) bottles. None of the yeast cultures yielded scores ≥1.700. Using an identification-score cutoff of ≥1.500, the MALDI Biotyper correctly identified 99.2% of Gram-positive bacteria, 97.6% of Gram-negative bacteria and 100% of yeast isolates to the genus level and 77.6% of Gram-positive bacteria, 87.1% of Gram-negative bacteria and 100.0% of yeast isolates to the species level. The overall rate of identification using our protocol was 89.9% (364/405) for genus level identification and 73.1% (296/405) for species level identification. Yeast isolates yielded the lowest confidence scores, which compromised the accuracy of identification. Further optimization of the protein extraction procedure in positive blood cultures is needed to improve the rate of identification. PMID:27695442

  9. Numerical methods for singularly perturbed differential equations with applications. Final report, 1 April 1990-31 March 1993

    SciTech Connect

    Flaherty, J.

    1993-03-31

    During the three-year period of this project, the authors conducted research on the development, analysis, and application of serial and parallel adaptive computational strategies for solving transient and steady partial differential systems. Concentrating on high-order methods and adaptive approaches that combine mesh refinement and coarsening (h-refinement), order variation (p-refinement), and occasionally, mesh motion (r-refinement), they addressed problems in combustion, materials science and compressible fluid mechanics. Special spatially-discrete finite element Galerkin methods were considered for the parallel and adaptive solution of hyperbolic conservation laws. Improved solution-limiting and error-estimation strategies increased the accuracy and efficiency of these methods which are being applied to two - and three-dimensional compressible flow problems. Adaptive techniques for dissipative systems are being applied to problems in the manufacture of ceramic composite media.

  10. Evaluation of the effect of coal cleaning of fugitive elements. Part II. Analytical methods. Final report, Phase II

    SciTech Connect

    Bosshart, R.E.; Price, A.A.; Ford, C.T.

    1980-03-01

    This report contains the analytical and test methods which were used routinely at Bituminous Coal Research, Inc. during the project. The procedures contained herein should aid coal industry laboratories and others, including commercial laboratories, who might be required to determine trace elements in coal. Some of the procedures have been presented in previous BCR reports; however, this report includes additional procedures which are described in greater detail. Also presented are many as the more basic coal methods which have been in use at BCR for many years, or which have been adapted or refined from other standard reference sources for coal and water. The basis for choosing specific analytical procedures for trace elements in coal is somewhat complex. At BCR, atomic absorption was selected as the basic method in the development of these procedures. The choice was based on sensitivity, selectivity, accuracy, precision, practicability, and economy. Whenever possible, the methods developed had to be both adequate and amenable for use by coal industry laboratories by virtue of relative simplicity and cost. This is not to imply that the methods described are simple or inexpensive; however, atomic abosrption techniques do meet these criteria in relation to more complex and costly methods such as neutron activation, mass spectrometry, and x-ray fluorescence, some of which require highly specialized personnel as well as access to sophisticated nuclear and computational facilities. Many of the analytical procedures for trace elements in coal have been developed or adapted specifically for the BCR studies. Their presentation is the principal purpose of this report.

  11. Integrated Methods for Pupils To Reinforce Occupational and Verbal Effectiveness (Project IMPROVE). Final Evaluation Report, 1992-93. OREA Report.

    ERIC Educational Resources Information Center

    Guadalupe, Deana R.

    Integrated Methods for Pupils to Reinforce Occupational and Vocational Effectiveness (Project IMPROVE) was a federally funded project in its second year of operation in two Manhattan (New York) high schools in 1992-93. It served limited-English-proficient students, 186 Latino and 13 Asian-American, in grades 9-12. Students received instruction in…

  12. Content and Instructional Methods of Education for the Economic-Political-Social Development of Nations. Final Report.

    ERIC Educational Resources Information Center

    Coladarci, Arthur P.

    This document reports on a project that developed, through case studies of various countries, empirical evidence of the impact of curriculum content and method on national economic, social, and political growth. Specific problems studied were (1) occupational education and training for development, (2) education's role in the formation of social…

  13. Comparison of water and infrared blanching methods for processing performance and final product quality of French fries

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The main objective of this work was to compare infrared blanching (IRB) with water blanching (WB) as a pretreatment method for producing lower calorie French fries. It was observed that complete inactivation of polyphenol oxidase enzyme for 9.43 mm potato strips could be achieved in 200 s and 16 min...

  14. Final Report - High-Order Spectral Volume Method for the Navier-Stokes Equations On Unstructured Tetrahedral Grids

    SciTech Connect

    Wang, Z J

    2012-12-06

    The overriding objective for this project is to develop an efficient and accurate method for capturing strong discontinuities and fine smooth flow structures of disparate length scales with unstructured grids, and demonstrate its potentials for problems relevant to DOE. More specifically, we plan to achieve the following objectives: 1. Extend the SV method to three dimensions, and develop a fourth-order accurate SV scheme for tetrahedral grids. Optimize the SV partition by minimizing a form of the Lebesgue constant. Verify the order of accuracy using the scalar conservation laws with an analytical solution; 2. Extend the SV method to Navier-Stokes equations for the simulation of viscous flow problems. Two promising approaches to compute the viscous fluxes will be tested and analyzed; 3. Parallelize the 3D viscous SV flow solver using domain decomposition and message passing. Optimize the cache performance of the flow solver by designing data structures minimizing data access times; 4. Demonstrate the SV method with a wide range of flow problems including both discontinuities and complex smooth structures. The objectives remain the same as those outlines in the original proposal. We anticipate no technical obstacles in meeting these objectives.

  15. EPRI simplified program for residential energy (ESPRE). Volume 1. Review of energy analysis methods and model development. Final report

    SciTech Connect

    Merriam, R.L.; Rancatore, R.J.

    1986-05-01

    A review of the theory and implementations of simplified residential building energy analysis methods is carried out. Strengths and weaknesses and the areas of application of the methods are identified. Two programmable calculator programs (ADM-3 and the NBS TI-59 procedure) are evaluated along with four microcomputer based calculative methods (CIRA, HOTCAN, MICROPAS, SEA). The review, which was carried out in 1983, indicates the relationships between the various procedures. A new microcomputer based simulation method is developed. The program, ESPRE (EPRI Simplified Program for Residential Energy), which is implemented in MS-DOS FORTRAN, reads TMY weather data to carry out hourly simulations of thermal loads and energy use in a one or two conditioned space residential building. Typical residential structures including an attic or cathedral ceiling and one of three foundation types (slab, crawlspace, or basement) can be modeled. The equipment simulation models handle the variation in hourly performance characteristics with temperature and part load operation degradation. The program is tested using metered hourly energy and temperature data for several unoccupied houses.

  16. Analysis of Cine-Psychometric Visual Memory Data by the Tucker Generalized Learning Curve Method: Final Report.

    ERIC Educational Resources Information Center

    Reid, J. C.; Seibert, Warren F.

    The analysis of previously obtained data concerning short-term visual memory and cognition by a method suggested by Tucker is proposed. Although interesting individual differences undoubtedly exist in people's ability and capacity to process short-term visual information, studies have not generally examined these differences. In fact, conventional…

  17. A COMPARISON OF TWO METHODS OF TEACHING CONCEPTS ABOUT THE PLASTICS INDUSTRY FOR INDUSTRIAL ARTS EDUCATION. FINAL REPORT.

    ERIC Educational Resources Information Center

    STEELE, GERALD L.

    THE OBJECTIVES OF THE STUDY WERE TO COMPARE EDUCATIONAL TOYS AND THREE-DIMENSIONAL NONPRODUCING MOCKUPS WITH COMMERCIAL PLASTICS PROCESSING EQUIPMENT FOR RELATIVE EFFECTIVENESS OF TEACHING PLASTIC CONCEPTS, AND TO COMPARE THE RELATIVE EFFECTIVENESS OF THESE TWO METHODS IN DEVELOPING MANUAL DEXTERITY. TREATMENT A (EDUCATIONAL TOYS AND MOCKUPS) WAS…

  18. An experimental evaluation of the instrumented flux synthesis method for the real-time estimation of reactivity. Final report

    SciTech Connect

    Hughes, J.C.; Henry, A.F.; Lanning, D.D.; Bernard, J.A.

    1996-01-01

    One method of determining the flux density is flux synthesis which approximates the flux in the core by linear combinations of precomputed shape functions. In traditional flux synthesis, the unknown mixing coefficients are determined using a weighted residual method of solving the diffusion equation. In the instrumented synthesis method, the mixing coefficients are determined using count rates from neutron detectors in the core. In this way the mixing coefficients are linked to conditions in the reactor. Using the synthesized flux, kinetics parameters, notably reactivity, can be calculated in real time. An experimental evaluation has been performed in the Massachusetts Institute of Technology Reactor, MITR-II. Detector measurements have been collected using fission chambers placed at the periphery of the core. The reactor was put into a number of various conditions, both static and transient, and data were collected using a digital acquisition system for later combination with shape functions. Transients included increasing power, decreasing power, and a reactor scram. The shape functions were generated using Version 3.0 of the QUARTZ code, a quadratic nodal diffusion theory code in triangular-Z geometry. Supernodal analysis algorithms have been added to the original program, along with subroutines to guarantee diagonal dominance of the leakage matrix in the finite difference or quadratic current approximations in the coarse mesh. The agreement between coarse mesh and fine mesh in all cases is excellent, with finite difference coarse mesh solutions generally slightly better. The synthesis method has been shown to accurately reflect the changes from an initial condition by combining representative flux shapes. It can be concluded that, with proper calibration of the measurement system and inclusion of representative flux shapes, the instrumented synthesis method will properly predict the flux in the core under a number of conditions.

  19. Development of biological and chemical methods for environmental monitoring of DOE waste disposal and storage facilities. Final report

    SciTech Connect

    1989-04-01

    Hazardous chemicals in the environment have received ever increasing attention in recent years. In response to ongoing problems with hazardous waste management, Congress enacted the Resource Conservation and Recovery Act (RCRA) in 1976. In 1980, Congress adopted the Comprehensive Environmental Response Compensation, and Liability Act (CERCLA), commonly called Superfund to provide for emergency spill response and to clean up closed or inactive hazardous waste sites. Scientists and engineers have begun to respond to the hazardous waste challenge with research and development on treatment of waste streams as well as cleanup of polluted areas. The magnitude of the problem is just now beginning to be understood. The U.S. Environmental Protection Agency (USEPA) National Priorities List as of September 13 1985, contained 318 proposed sites and 541 final sites (USEPA, 1985). Estimates of up to 30,000 sites containing hazardous wastes (1,200 to 2,000 of which present a serious threat to public health) have been made (Public Law 96-150). In addition to the large number of sites, the costs of cleanup using available technology are phenomenal. For example, a 10-acre toxic waste site in Ohio is to be cleaned up by removing chemicals from the site and treating the contaminated groundwater. The federal government has already spent more than $7 million to remove the most hazardous wastes and the groundwater decontamination alone is expected to take at least 10 years and cost $12 million. Another example of cleanup costs comes from the State of California Commission for Economic Development which predicts a bright economic future for the state except for the potential outlay of $40 billion for hazardous waste cleanup mandated by federal and state laws.

  20. Resonance ionization detection of combustion radicals

    SciTech Connect

    Cool, T.A.

    1993-12-01

    Fundamental research on the combustion of halogenated organic compounds with emphasis on reaction pathways leading to the formation of chlorinated aromatic compounds and the development of continuous emission monitoring methods will assist in DOE efforts in the management and disposal of hazardous chemical wastes. Selective laser ionization techniques are used in this laboratory for the measurement of concentration profiles of radical intermediates in the combustion of chlorinated hydrocarbon flames. A new ultrasensitive detection technique, made possible with the advent of tunable VUV laser sources, enables the selective near-threshold photoionization of all radical intermediates in premixed hydrocarbon and chlorinated hydrocarbon flames.

  1. Enhanced ionized impurity scattering in nanowires

    NASA Astrophysics Data System (ADS)

    Oh, Jung Hyun; Lee, Seok-Hee; Shin, Mincheol

    2013-06-01

    The electronic resistivity in silicon nanowires is investigated by taking into account scattering as well as the donor deactivation from the dielectric mismatch. The effects of poorly screened dopant atoms from the dielectric mismatch and variable carrier density in nanowires are found to play a crucial role in determining the nanowire resistivity. Using Green's function method within the self-consistent Born approximation, it is shown that donor deactivation and ionized impurity scattering combined with the charged interface traps successfully to explain the increase in the resistivity of Si nanowires while reducing the radius, measured by Björk et al. [Nature Nanotech. 4, 103 (2009)].

  2. Rocket measurements of mesospheric ionization irregularities

    NASA Technical Reports Server (NTRS)

    Stoltzfus, R. B.; Bowhill, S. A.

    1985-01-01

    The Langmuir probe technique for measurement of electron concentration in the mesosphere is capable of excellent altitude resolution, of order 1 m. Measurements from nine daytime rocket flights carrying an electron density fine structure experiment frequently show small scale ionization structures in the altitude region 70 to 90 km. The irregularities are believed to be the result of turbulent advection of ions and electrons. The fine structure experiment flown by the University of Illinois is described and methods of analyzing the collected data is presented. Theories of homogeneous, isotropic turbulence are reviewed. Power spectra of the measured irregularities are calculated and compared to spectra predicted by turbulence theories.

  3. SIMULATIONS OF PARAMETRIC-RESONANCE IONIZATION COOLING

    SciTech Connect

    David Newsham; Richard Sah; Alex Bogacz; Yu-Chiu Chao; Yaroslav Derbenev

    2007-06-01

    Parametric-resonance ionization cooling (PIC) is a muon-cooling technique that is useful for low-emittance muon colliders. This method requires a well-tuned focusing channel that is free of chromatic and spherical aberrations. In order to be of practical use in a muon collider, it also necessary that the focusing channel be as short as possible to minimize muon loss due to decay. G4Beamline numerical simulations are presented of a compact PIC focusing channel in which spherical aberrations are minimized by using design symmetry.

  4. Laser-induced air ionization microscopy

    NASA Astrophysics Data System (ADS)

    Zhao, Y.; Zhang, N.; Yang, J.; Zhu, X.

    2006-06-01

    A nonlinear scanning imaging method is introduced that uses the highly localized air ionization initiated by photoelectrons from the sample surface under irradiation of femtosecond laser pulses as the microprobe. This type of microscopy with realizable subdiffraction spatial resolution has the unique advantages of being highly sensitive to both elemental and topographical properties of the samples of interest. Microscopic images of a femtosecond laser ablated micropattern, the cross section and the side view profile of an optical fiber, and a fresh mulberry leaf are obtained with this imaging technique, which demonstrate this technique's broad applicability in microscopic studies of different materials.

  5. Momentum correlation of electron-hydrogen ionization

    NASA Astrophysics Data System (ADS)

    Sui-meng, Zhang; Zhang-jin, Chen

    1999-07-01

    Following the work of Berakdar, the momentum correlation in the three-body Coulomb continuum problem is considered by the introduction of effective Sommerfeld parameters for both symmetric and asymmetric geometry. The triple differential cross sections for electron impact ionization of atomic hydrogen at incident energies of 54.4 and 150eV in asymmetric geometry are calculated. Results are compared with the related measurements and the only existing theoretical results of the convergent close-coupling method. They are in good agreement with experiment, though some small quantitative discrepancies remain.

  6. Nuclear method for determination of asphalt content corrected for moisture in bituminous mixture. Final report, March 1988-February 1989

    SciTech Connect

    Christensen, D.W.; Tarris, J.P.

    1989-05-01

    This report presents results of research on the development of a method for determination of asphalt content corrected for moisture using the nuclear-gauge method. The researchers selected an approach that involved rapid drying of the asphalt concrete samples in a microwave oven prior to the determination of asphalt content using a Troxler Model 3241-C nuclear asphalt-content gauge. As a reference, asphalt contents were also measured using quantitative extraction. In general, good agreement was found between asphalt contents measured by the Troxler Model 3241-C nuclear gauge and asphalt contents measured by quantitative extraction. In extended sampling for Plant 1, no significant increase in nuclear gauge error was seen over a 10-day sampling period, which indicates that daily calibration of the nuclear gauge is probably unnecessary to maintain satisfactory performance. The field demonstration of the procedure of drying the bituminous mixture in a microwave oven and then determining its asphalt content by the nuclear method indicated asphalt-content results were obtained approximately 1 hour faster than results obtained by quantitative extraction.

  7. Intracellular protein mass spectroscopy using mid-infrared laser ionization

    NASA Astrophysics Data System (ADS)

    Awazu, K.; Suzuki, S.

    2007-07-01

    Large-scale analysis of proteins, which can be regarded as functional biomolecule, assumes an important role in the life science. A MALDI using an ultraviolet laser (UV-MALDI) is one of ionization methods without fragmentation and has achieved conformation analysis of proteins. Recently, protein analysis has shifted from conformation analysis to functional and direct one that reserves posttranslational modifications such as the sugar chain addition and phosphorylation. We have proposed a MALDI using a mid-infrared tunable laser (IR-MALDI) as a new ionization method. IR-MALDI is promising because most biomolecules have a specific absorption in mid-infrared range, and IR-MALDI is expected to offer; (1) use of various matrices, (2) use of biomolecules such as water and lipid as the matrix, and (3) super-soft ionization. First, we evaluated the wavelength dependence of ionization of different matrices using a difference frequency generation (DFG) laser, which can tune the wavelength within a range from 5.5 to 10.0 μm. As results, ionization was specifically occurred at 5.8 μm which the C=O vibration stretching bond in matrix material and mass spectrum was observed. Next, protein mass spectrum was observed in the culture cells, MIN6, which secrete insulin, without the conventional cell-preparation processes. We demonstrate that the IR-MALDI has an advantage over the conventional method (UV-MALDI) in direct analysis of intracellular proteins.

  8. Electroencephalographic responses to ionizing radiation.

    PubMed

    GARCIA, J; BUCHWALD, N A; BACH-Y-RITA, G; FEDER, B H; KOELLING, R A

    1963-04-19

    Electroencephalographic recordings made from chronically implanted cortical electrodes indicate that ionizing radiation has an immediate effect upon brain wave patterns. X-rays delivered at the rate of 0.2 roentgen per second produce an arousal effect resembling that which occurs as a result of stimulation through peripheral receptor systems.

  9. Ionization Cooling for Muon Experiments

    SciTech Connect

    Alexahin, Y.; Neuffer, D.; Prebys, E.

    2014-09-18

    Possible application for muon experiments such as mu2e is discussed of the initial part of the ionization cooling channel originally developed for muon collider. It is shown that with the FNAL Booster as the proton driver the mu2e sensitivity can be increased by two orders of magnitude compared to the presently considered experiment.

  10. Ionization Potentials for Isoelectronic Series.

    ERIC Educational Resources Information Center

    Agmon, Noam

    1988-01-01

    Presents a quantitative treatment of ionization potentials of isoelectronic atoms. By looking at the single-electron view of calculating the total energy of an atom, trends in the screening and effective quantum number parameters are examined. Approaches the question of determining electron affinities. (CW)

  11. Evidence for unnatural-parity contributions to electron-impact ionization of laser-aligned atoms

    SciTech Connect

    Armstrong, Gregory S. J.; Colgan, James Patrick; Pindzola, M. S.; Amami, S.; Madison, D. H.; Pursehouse, J.; Nixon, K. L.; Murray, A. J.

    2015-09-11

    Recent measurements have examined the electron-impact ionization of excited-state laser-aligned Mg atoms. In this paper we show that the ionization cross section arising from the geometry where the aligned atom is perpendicular to the scattering plane directly probes the unnatural parity contributions to the ionization amplitude. The contributions from natural parity partial waves cancel exactly in this geometry. Our calculations resolve the discrepancy between the nonzero measured cross sections in this plane and the zero cross section predicted by distorted-wave approaches. Finally, we demonstrate that this is a general feature of ionization from p-state targets by additional studies of ionization from excited Ca and Na atoms.

  12. Study of improved methods for predicting chemical equilibria. Final technical report, April 1, 1993--August 31, 1997

    SciTech Connect

    Lenz, T.G.; Vaughan, J.D.

    1997-10-01

    A long-standing goal of chemical engineers and chemists has been the development of techniques for accurate prediction of the thermodynamic properties of isolated molecules. The thermochemical functions for an ideal gas then provide a means of computing chemical equilibria, and such computations can be extended to condensed phase chemical equilibria with appropriate physical property data. Such capability for predicting diverse chemical equilibria is important in today`s competitive international economic environment, where bringing new products to market rapidly and efficiently is crucial. The purpose of this project has been to develop such computational methods for predicting chemical equilibria.

  13. Accelerated test methods for life prediction of hermetic motor insulation systems exposed to alternative refrigerant/lubricant mixtures. Final report

    SciTech Connect

    Ellis, II, P F; Ferguson, A F

    1995-04-19

    In 1992, the Air-Conditioning and Refrigeration Technology Institute, Inc. (ARTI) contracted Radian Corporation to ascertain whether an improved accelerated test method or procedure could be developed that would allow prediction of the life of motor insulation materials used in hermetic motors for air-conditioning and refrigeration equipment operated with alternative refrigerant/lubricant mixtures. Phase 1 of the project, Conceptual Design of an accelerated test method and apparatus, was successfully completed in June 1993. The culmination of that effort was the concept of the Simulated Stator Unit (SSU) test. The objective of the Phase 2 limited proof-of-concept demonstration was to: answer specific engineering/design questions; design and construct an analog control sequencer and supporting apparatus; and conduct limited tests to determine the viability of the SSU test concept. This report reviews the SSU test concept, and describes the results through the conclusion of the proof-of-concept prototype tests in March 1995. The technical design issues inherent in transforming any conceptual design to working equipment have been resolved, and two test systems and controllers have been constructed. Pilot tests and three prototype tests have been completed, concluding the current phase of work. One prototype unit was tested without thermal stress loads. Twice daily insulation property measurements (IPMs) on this unit demonstrated that the insulation property measurements themselves did not degrade the SSU.

  14. Systematic assembly homogenization and local flux reconstruction for nodal method calculations. Final report, January 1, 1990--September 30, 1992

    SciTech Connect

    Dorning, J.J.

    1993-05-01

    The report is divided into three parts. The main mathematical development of the new systematic simultaneous lattice-cell and fuel-assembly homogenization theory derived from the transport equation is summarized in Part I. Also included in Part I is the validation of this systematic homogenization theory and the resulting calculational procedures for coarse-mesh nodal diffusion methods that follow from it, in the form of their application to a simple one-dimensional test problem. The results of the application of this transport-equation-based systematic homogenization theory are summarized in Part II in which its superior accuracy over traditional flux and volume weighted homogenization procedures and over generalized equivalence theory is demonstrated for small and large practical two-dimensional PWR problems. The mathematical development of a second systematic homogenization theory -- this one derived starting from the diffusion equation -- is summarized in Part III where its application to a practical two-dimensional PWR model also is summarized and its superior accuracy over traditional homogenization methods and generalized equivalence theory is demonstrated for this problem.

  15. Ionization chamber dosimeter

    DOEpatents

    Renner, Tim R.; Nyman, Mark A.; Stradtner, Ronald

    1991-01-01

    A method for fabricating an ion chamber dosimeter collecting array of the type utilizing plural discrete elements formed on a uniform collecting surface which includes forming a thin insulating layer over an aperture in a frame having surfaces, forming a predetermined pattern of through holes in the layer, plating both surfaces of the layer and simultaneously tilting and rotating the frame for uniform plate-through of the holes between surfaces. Aligned masking and patterned etching of the surfaces provides interconnects between the through holes and copper leads provided to external circuitry.

  16. Cross section measurements of high-pT dilepton final-state processes using a global fitting method

    NASA Astrophysics Data System (ADS)

    Abulencia, A.; Adelman, J.; Affolder, T.; Akimoto, T.; Albrow, M. G.; Ambrose, D.; Amerio, S.; Amidei, D.; Anastassov, A.; Anikeev, K.; Annovi, A.; Antos, J.; Aoki, M.; Apollinari, G.; Arguin, J.-F.; Arisawa, T.; Artikov, A.; Ashmanskas, W.; Attal, A.; Azfar, F.; Azzi-Bacchetta, P.; Azzurri, P.; Bacchetta, N.; Badgett, W.; Barbaro-Galtieri, A.; Barnes, V. E.; Barnett, B. A.; Baroiant, S.; Bartsch, V.; Bauer, G.; Bedeschi, F.; Behari, S.; Belforte, S.; Bellettini, G.; Bellinger, J.; Belloni, A.; Benjamin, D.; Beretvas, A.; Beringer, J.; Berry, T.; Bhatti, A.; Binkley, M.; Bisello, D.; Blair, R. E.; Blocker, C.; Blumenfeld, B.; Bocci, A.; Bodek, A.; Boisvert, V.; Bolla, G.; Bolshov, A.; Bortoletto, D.; Boudreau, J.; Boveia, A.; Brau, B.; Brigliadori, L.; Bromberg, C.; Brubaker, E.; Budagov, J.; Budd, H. S.; Budd, S.; Budroni, S.; Burkett, K.; Busetto, G.; Bussey, P.; Byrum, K. L.; Cabrera, S.; Campanelli, M.; Campbell, M.; Canelli, F.; Canepa, A.; Carillo, S.; Carlsmith, D.; Carosi, R.; Carron, S.; Casarsa, M.; Castro, A.; Catastini, P.; Cauz, D.; Cavalli-Sforza, M.; Cerri, A.; Cerrito, L.; Chang, S. H.; Chen, Y. C.; Chertok, M.; Chiarelli, G.; Chlachidze, G.; Chlebana, F.; Cho, I.; Cho, K.; Chokheli, D.; Chou, J. P.; Choudalakis, G.; Chuang, S. H.; Chung, K.; Chung, W. H.; Chung, Y. S.; Ciljak, M.; Ciobanu, C. I.; Ciocci, M. A.; Clark, A.; Clark, D.; Coca, M.; Compostella, G.; Convery, M. E.; Conway, J.; Cooper, B.; Copic, K.; Cordelli, M.; Cortiana, G.; Crescioli, F.; Almenar, C. Cuenca; Cuevas, J.; Culbertson, R.; Cully, J. C.; Cyr, D.; Daronco, S.; Datta, M.; D'Auria, S.; Davies, T.; D'Onofrio, M.; Dagenhart, D.; de Barbaro, P.; Dececco, S.; Deisher, A.; de Lentdecker, G.; Dell'Orso, M.; Delli Paoli, F.; Demortier, L.; Deng, J.; Deninno, M.; de Pedis, D.; Derwent, P. F.; di Giovanni, G. P.; Dionisi, C.; di Ruzza, B.; Dittmann, J. R.; Dituro, P.; Dörr, C.; Donati, S.; Donega, M.; Dong, P.; Donini, J.; Dorigo, T.; Dube, S.; Efron, J.; Erbacher, R.; Errede, D.; Errede, S.; Eusebi, R.; Fang, H. C.; Farrington, S.; Fedorko, I.; Fedorko, W. T.; Feild, R. G.; Feindt, M.; Fernandez, J. P.; Field, R.; Flanagan, G.; Foland, A.; Forrester, S.; Foster, G. W.; Franklin, M.; Freeman, J. C.; Furic, I.; Gallinaro, M.; Galyardt, J.; Garcia, J. E.; Garberson, F.; Garfinkel, A. F.; Gay, C.; Gerberich, H.; Gerdes, D.; Giagu, S.; Giannetti, P.; Gibson, A.; Gibson, K.; Gimmell, J. L.; Ginsburg, C.; Giokaris, N.; Giordani, M.; Giromini, P.; Giunta, M.; Giurgiu, G.; Glagolev, V.; Glenzinski, D.; Gold, M.; Goldschmidt, N.; Goldstein, J.; Golossanov, A.; Gomez, G.; Gomez-Ceballos, G.; Goncharov, M.; González, O.; Gorelov, I.; Goshaw, A. T.; Goulianos, K.; Gresele, A.; Griffiths, M.; Grinstein, S.; Grosso-Pilcher, C.; Group, R. C.; Grundler, U.; da Costa, J. Guimaraes; Gunay-Unalan, Z.; Haber, C.; Hahn, K.; Hahn, S. R.; Halkiadakis, E.; Hamilton, A.; Han, B.-Y.; Han, J. Y.; Handler, R.; Happacher, F.; Hara, K.; Hare, M.; Harper, S.; Harr, R. F.; Harris, R. M.; Hartz, M.; Hatakeyama, K.; Hauser, J.; Heijboer, A.; Heinemann, B.; Heinrich, J.; Henderson, C.; Herndon, M.; Heuser, J.; Hidas, D.; Hill, C. S.; Hirschbuehl, D.; Hocker, A.; Holloway, A.; Hou, S.; Houlden, M.; Hsu, S.-C.; Huffman, B. T.; Hughes, R. E.; Husemann, U.; Huston, J.; Incandela, J.; Introzzi, G.; Iori, M.; Ishizawa, Y.; Ivanov, A.; Iyutin, B.; James, E.; Jang, D.; Jayatilaka, B.; Jeans, D.; Jensen, H.; Jeon, E. J.; Jindariani, S.; Jones, M.; Joo, K. K.; Jun, S. Y.; Jung, J. E.; Junk, T. R.; Kamon, T.; Karchin, P. E.; Kato, Y.; Kemp, Y.; Kephart, R.; Kerzel, U.; Khotilovich, V.; Kilminster, B.; Kim, D. H.; Kim, H. S.; Kim, J. E.; Kim, M. J.; Kim, S. B.; Kim, S. H.; Kim, Y. K.; Kimura, N.; Kirsch, L.; Klimenko, S.; Klute, M.; Knuteson, B.; Ko, B. R.; Kondo, K.; Kong, D. J.; Konigsberg, J.; Korytov, A.; Kotwal, A. V.; Kovalev, A.; Kraan, A. C.; Kraus, J.; Kravchenko, I.; Kreps, M.; Kroll, J.; Krumnack, N.; Kruse, M.; Krutelyov, V.; Kubo, T.; Kuhlmann, S. E.; Kuhr, T.; Kusakabe, Y.; Kwang, S.; Laasanen, A. T.; Lai, S.; Lami, S.; Lammel, S.; Lancaster, M.; Lander, R. L.; Lannon, K.; Lath, A.; Latino, G.; Lazzizzera, I.; Lecompte, T.; Lee, J.; Lee, J.; Lee, Y. J.; Lee, S. W.; Lefèvre, R.; Leonardo, N.; Leone, S.; Levy, S.; Lewis, J. D.; Lin, C.; Lin, C. S.; Lindgren, M.; Lipeles, E.; Liss, T. M.; Lister, A.; Litvintsev, D. O.; Liu, T.; Lockyer, N. S.; Loginov, A.; Loreti, M.; Loverre, P.; Lu, R.-S.; Lucchesi, D.; Lujan, P.; Lukens, P.; Lungu, G.; Lyons, L.; Lys, J.; Lysak, R.; Lytken, E.; Mack, P.; MacQueen, D.; Madrak, R.; Maeshima, K.; Makhoul, K.; Maki, T.; Maksimovic, P.; Malde, S.; Manca, G.; Margaroli, F.; Marginean, R.; Marino, C.; Marino, C. P.; Martin, A.; Martin, M.; Martin, V.; Martínez, M.; Maruyama, T.; Mastrandrea, P.; Masubuchi, T.; Matsunaga, H.; Mattson, M. E.; Mazini, R.; Mazzanti, P.; McFarland, K. S.; McIntyre, P.; McNulty, R.; Mehta, A.; Mehtala, P.; Menzemer, S.; Menzione, A.; Merkel, P.; Mesropian, C.; Messina, A.; Miao, T.; Miladinovic, N.; Miles, J.; Miller, R.; Mills, C.; Milnik, M.; Mitra, A.; Mitselmakher, G.; Miyamoto, A.; Moed, S.; Moggi, N.; Mohr, B.; Moore, R.; Morello, M.; Fernandez, P. Movilla; Mülmenstädt, J.; Mukherjee, A.; Muller, Th.; Mumford, R.; Murat, P.; Nachtman, J.; Nagano, A.; Naganoma, J.; Nakano, I.; Napier, A.; Necula, V.; Neu, C.; Neubauer, M. S.; Nielsen, J.; Nigmanov, T.; Nodulman, L.; Norniella, O.; Nurse, E.; Oh, S. H.; Oh, Y. D.; Oksuzian, I.; Okusawa, T.; Oldeman, R.; Orava, R.; Osterberg, K.; Pagliarone, C.; Palencia, E.; Papadimitriou, V.; Paramonov, A. A.; Parks, B.; Pashapour, S.; Patrick, J.; Pauletta, G.; Paulini, M.; Paus, C.; Pellett, D. E.; Penzo, A.; Phillips, T. J.; Piacentino, G.; Piedra, J.; Pinera, L.; Pitts, K.; Plager, C.; Pondrom, L.; Portell, X.; Poukhov, O.; Pounder, N.; Prakoshyn, F.; Pronko, A.; Proudfoot, J.; Ptohos, F.; Punzi, G.; Pursley, J.; Rademacker, J.; Rahaman, A.; Ranjan, N.; Rappoccio, S.; Reisert, B.; Rekovic, V.; Renton, P.; Rescigno, M.; Richter, S.; Rimondi, F.; Ristori, L.; Robson, A.; Rodrigo, T.; Rogers, E.; Rolli, S.; Roser, R.; Rossi, M.; Rossin, R.; Ruiz, A.; Russ, J.; Rusu, V.; Saarikko, H.; Sabik, S.; Safonov, A.; Sakumoto, W. K.; Salamanna, G.; Saltó, O.; Saltzberg, D.; Sánchez, C.; Santi, L.; Sarkar, S.; Sartori, L.; Sato, K.; Savard, P.; Savoy-Navarro, A.; Scheidle, T.; Schlabach, P.; Schmidt, E. E.; Schmidt, M. P.; Schmitt, M.; Schwarz, T.; Scodellaro, L.; Scott, A. L.; Scribano, A.; Scuri, F.; Sedov, A.; Seidel, S.; Seiya, Y.; Semenov, A.; Sexton-Kennedy, L.; Sfyrla, A.; Shapiro, M. D.; Shears, T.; Shepard, P. F.; Sherman, D.; Shimojima, M.; Shochet, M.; Shon, Y.; Shreyber, I.; Sidoti, A.; Sinervo, P.; Sisakyan, A.; Sjolin, J.; Slaughter, A. J.; Slaunwhite, J.; Sliwa, K.; Smith, J. R.; Snider, F. D.; Snihur, R.; Soderberg, M.; Soha, A.; Somalwar, S.; Sorin, V.; Spalding, J.; Spinella, F.; Spreitzer, T.; Squillacioti, P.; Stanitzki, M.; Staveris-Polykalas, A.; St. Denis, R.; Stelzer, B.; Stelzer-Chilton, O.; Stentz, D.; Strologas, J.; Stuart, D.; Suh, J. S.; Sukhanov, A.; Sun, H.; Suzuki, T.; Taffard, A.; Takashima, R.; Takeuchi, Y.; Takikawa, K.; Tanaka, M.; Tanaka, R.; Tecchio, M.; Teng, P. K.; Terashi, K.; Thom, J.; Thompson, A. S.; Thomson, E.; Tipton, P.; Tiwari, V.; Tkaczyk, S.; Toback, D.; Tokar, S.; Tollefson, K.; Tomura, T.; Tonelli, D.; Torre, S.; Torretta, D.; Tourneur, S.; Trischuk, W.; Tsuchiya, R.; Tsuno, S.; Turini, N.; Ukegawa, F.; Unverhau, T.; Uozumi, S.; Usynin, D.; Vallecorsa, S.; van Remortel, N.; Varganov, A.; Vataga, E.; Vázquez, F.; Velev, G.; Veramendi, G.; Veszpremi, V.; Vidal, R.; Vila, I.; Vilar, R.; Vine, T.; Vollrath, I.; Volobouev, I.; Volpi, G.; Würthwein, F.; Wagner, P.; Wagner, R. G.; Wagner, R. L.; Wagner, J.; Wagner, W.; Wallny, R.; Wang, S. M.; Warburton, A.; Waschke, S.; Waters, D.; Weinberger, M.; Wester, W. C., III; Whitehouse, B.; Whiteson, D.; Wicklund, A. B.; Wicklund, E.; Williams, G.; Williams, H. H.; Wilson, P.; Winer, B. L.; Wittich, P.; Wolbers, S.; Wolfe, C.; Wright, T.; Wu, X.; Wynne, S. M.; Yagil, A.; Yamamoto, K.; Yamaoka, J.; Yamashita, T.; Yang, C.; Yang, U. K.; Yang, Y. C.; Yao, W. M.; Yeh, G. P.; Yoh, J.; Yorita, K.; Yoshida, T.; Yu, G. B.; Yu, I.; Yu, S. S.; Yun, J. C.; Zanello, L.; Zanetti, A.; Zaw, I.; Zhang, X.; Zhou, J.; Zucchelli, S.

    2008-07-01

    We present a new method for studying high-pT dilepton events (e±e∓, μ±μ∓, e±μ∓) and simultaneously extracting the production cross sections of p pmacr →t tmacr , p pmacr →W+W-, and p pmacr →Z0→τ+τ- at a center-of-mass energy of s=1.96TeV. We perform a likelihood fit to the dilepton data in a parameter space defined by the missing transverse energy and the number of jets in the event. Our results, which use 360pb-1 of data recorded with the CDF II detector at the Fermilab Tevatron Collider, are σ(t tmacr )=8.5-2.2+2.7pb, σ(W+W-)=16.3-4.4+5.2pb, and σ(Z0→τ+τ-)=291-46+50pb.

  17. Results of investigation at the Ahuachapan Geothermal Field, El Salvador. Part 2, Electrical-methods geophysics: Final report

    SciTech Connect

    Fink, J.B.

    1990-04-01

    The Ahuachapan Geothermal Field (AGF) is a 95 megawatt geothemal-sourced power-plant operated by the Comision Ejecutiva Hidroelectrica del Rio Lempa (CEL) of El Salvador. During the past decade, as part of an effort to increase in situ thermal reserves in order to realize the full generation capacity of the AGF, extensive surface geophysical coverage has been obtained over the AGF and the prospective Chipilapa area to the east. The geophysical surveys were performed to determine physical property characteristics of the known reservoir and then to search for similar characteristics in the Chipilapa area. A secondary objective was to evaluate the surface recharge area in the highlands to the south of the AGF. The principal surface electrical geophysical methods used during this period were DC resistivity and magnetotellurics. Three available data sets have been reinterpreted using drillhole control to help form geophysical models of the area. The geophysical models are compared with the geologic interpretations.

  18. Final report on DSA methods for monitoring alumina in aluminum reduction cells with cermet anodes. Inert Electrodes Program

    SciTech Connect

    Windisch, C.F. Jr.

    1992-04-01

    The Sensors Development Program was conducted at the Pacific Northwest Laboratory (PNL) for the US Department of Energy, Office of Industrial Processes. The work was performed in conjunction with the Inert Electrodes Program at PNL. The objective of the Sensors Development Program in FY 1990 through FY 1992 was to determine whether methods based on digital signal analysis (DSA) could be used to measure alumina concentration in aluminum reduction cells. Specifically, this work was performed to determine whether useful correlations exist between alumina concentration and various DSA-derived quantification parameters, calculated for current and voltage signals from laboratory and field aluminum reduction cells. If appropriate correlations could be found, then the quantification parameters might be used to monitor and, consequently, help control the alumina concentration in commercial reduction cells. The control of alumina concentration is especially important for cermet anodes, which have exhibited instability and excessive wear at alumina concentrations removed from saturation.

  19. Mathematical methods in material science and large scale optimization workshops: Final report, June 1, 1995-November 30, 1996

    SciTech Connect

    Friedman, A.

    1996-12-01

    The summer program in Large Scale Optimization concentrated largely on process engineering, aerospace engineering, inverse problems and optimal design, and molecular structure and protein folding. The program brought together application people, optimizers, and mathematicians with interest in learning about these topics. Three proceedings volumes are being prepared. The year in Materials Sciences deals with disordered media and percolation, phase transformations, composite materials, microstructure; topological and geometric methods as well as statistical mechanics approach to polymers (included were Monte Carlo simulation for polymers); miscellaneous other topics such as nonlinear optical material, particulate flow, and thin film. All these activities saw strong interaction among material scientists, mathematicians, physicists, and engineers. About 8 proceedings volumes are being prepared.

  20. Methods in probability and statistical inference. Final report, June 15, 1975-June 30, 1979. [Dept. of Statistics, Univ. of Chicago

    SciTech Connect

    Wallace, D L; Perlman, M D

    1980-06-01

    This report describes the research activities of the Department of Statistics, University of Chicago, during the period June 15, 1975 to July 30, 1979. Nine research projects are briefly described on the following subjects: statistical computing and approximation techniques in statistics; numerical computation of first passage distributions; probabilities of large deviations; combining independent tests of significance; small-sample efficiencies of tests and estimates; improved procedures for simultaneous estimation and testing of many correlations; statistical computing and improved regression methods; comparison of several populations; and unbiasedness in multivariate statistics. A description of the statistical consultation activities of the Department that are of interest to DOE, in particular, the scientific interactions between the Department and the scientists at Argonne National Laboratories, is given. A list of publications issued during the term of the contract is included.