Physical bases of the generation of short-term earthquake precursors: A complex model of ionization-induced geophysical processes in the lithosphere-atmosphere-ionosphere-magnetosphere system

NASA Astrophysics Data System (ADS)

Pulinets, S. A.; Ouzounov, D. P.; Karelin, A. V.; Davidenko, D. V.

2015-07-01

This paper describes the current understanding of the interaction between geospheres from a complex set of physical and chemical processes under the influence of ionization. The sources of ionization involve the Earth's natural radioactivity and its intensification before earthquakes in seismically active regions, anthropogenic radioactivity caused by nuclear weapon testing and accidents in nuclear power plants and radioactive waste storage, the impact of galactic and solar cosmic rays, and active geophysical experiments using artificial ionization equipment. This approach treats the environment as an open complex system with dissipation, where inherent processes can be considered in the framework of the synergistic approach. We demonstrate the synergy between the evolution of thermal and electromagnetic anomalies in the Earth's atmosphere, ionosphere, and magnetosphere. This makes it possible to determine the direction of the interaction process, which is especially important in applications related to short-term earthquake prediction. That is why the emphasis in this study is on the processes proceeding the final stage of earthquake preparation; the effects of other ionization sources are used to demonstrate that the model is versatile and broadly applicable in geophysics.

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

NASA Astrophysics Data System (ADS)

Chen, Yong; Luo, Guanghong; Diao, Jiajie; Chornoguz, Olesya; Reeves, Mark; Vertes, Akos

2007-04-01

Due to their optical properties and morphology, thin films formed of nanoparticles are potentially new platforms for soft laser desorption/ionization (SLDI) mass spectrometry. Thin films of gold nanoparticles (with 12±1 nm particle size) were prepared by evaporation-driven vertical colloidal deposition and used to analyze a series of directly deposited polypeptide samples. In this new SLDI method, the required laser fluence for ion detection was equal or less than what was needed for matrix-assisted laser desorption/ionization (MALDI) but the resulting spectra were free of matrix interferences. A silicon microcolumn array-based substrate (a.k.a. black silicon) was developed as a new matrix-free laser desorption ionization surface. When low-resistivity silicon wafers were processed with a 22 ps pulse length 3×ω Nd:YAG laser in air, SF6 or water environment, regularly arranged conical spikes emerged. The radii of the spike tips varied with the processing environment, ranging from approximately 500 nm in water, to ~2 µm in SF6 gas and to ~5 µm in air. Peptide mass spectra directly induced by a nitrogen laser showed the formation of protonated ions of angiotensin I and II, substance P, bradykinin fragment 1-7, synthetic peptide, pro14-arg, and insulin from the processed silicon surfaces but not from the unprocessed areas. Threshold fluences for desorption/ionization were similar to those used in MALDI. Although compared to silicon nanowires the threshold laser pulse energy for ionization is significantly (~10×) higher, the ease of production and robustness of microcolumn arrays offer complementary benefits.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Isselhardt, Brett H.

2011-09-01

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

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.

Matrix-Assisted Laser Desorption Ionization Imaging Mass Spectrometry: In Situ Molecular Mapping

PubMed Central

Angel, Peggi M.; Caprioli, Richard M.

2013-01-01

Matrix-assisted laser desorption ionization imaging mass spectrometry (IMS) is a relatively new imaging modality that allows mapping of a wide range of biomolecules within a thin tissue section. The technology uses a laser beam to directly desorb and ionize molecules from discrete locations on the tissue that are subsequently recorded in a mass spectrometer. IMS is distinguished by the ability to directly measure molecules in situ ranging from small metabolites to proteins, reporting hundreds to thousands of expression patterns from a single imaging experiment. This article reviews recent advances in IMS technology, applications, and experimental strategies that allow it to significantly aid in the discovery and understanding of molecular processes in biological and clinical samples. PMID:23259809

Sol-gel coated ion sources for liquid chromatography-direct electron ionization mass spectrometry.

PubMed

Riboni, Nicolò; Magrini, Laura; Bianchi, Federica; Careri, Maria; Cappiello, Achille

2017-07-25

Advances in interfacing liquid chromatography and electron ionization mass spectrometry are presented. New ion source coatings synthesized by sol-gel technology were developed and tested as vaporization surfaces in terms of peak intensity, peak width and peak delay for the liquid chromatography-direct electron ionization mass spectrometry (Direct-EI) determination of environmental pollutants like polycyclic aromatic hydrocarbons and steroids. Silica-, titania-, and zirconia-based coatings were sprayed inside the stainless steel ion source and characterized in terms of thermal stability, film thickness and morphology. Negligible weight losses until 350-400 °C were observed for all the materials, with coating thicknesses in the 6 (±1)-11 (±2) μm range for optimal ionization process. The best performances in terms of both peak intensity and peak width were obtained by using the silica-based coating: the detection of the investigated compounds was feasible at low ng μl -1 levels with a good precision (RSD < 9% for polycyclic aromatic hydrocarbons and <11% for hormones). Copyright © 2017 Elsevier B.V. All rights reserved.

Direct evidence for radiative charge transfer after inner-shell excitation and ionization of large clusters

NASA Astrophysics Data System (ADS)

Hans, Andreas; Stumpf, Vasili; Holzapfel, Xaver; Wiegandt, Florian; Schmidt, Philipp; Ozga, Christian; Reiß, Philipp; Ben Ltaief, Ltaief; Küstner-Wetekam, Catmarna; Jahnke, Till; Ehresmann, Arno; Demekhin, Philipp V.; Gokhberg, Kirill; Knie, André

2018-01-01

We directly observe radiative charge transfer (RCT) in Ne clusters by dispersed vacuum-ultraviolet photon detection. The doubly ionized Ne2+-{{{N}}{{e}}}n-1 initial states of RCT are populated after resonant 1s-3p photoexcitation or 1s photoionization of Ne n clusters with < n> ≈ 2800. These states relax further producing Ne+-Ne+-{{{N}}{{e}}}n-2 final states, and the RCT photon is emitted. Ab initio calculations assign the observed RCT signal to the{}{{{N}}{{e}}}2+(2{{{p}}}-2{[}1{{D}}]){--}{{{N}}{{e}}}n-1 initial state, while transitions from other possible initial states are proposed to be quenched by competing relaxation processes. The present results are in agreement with the commonly discussed scenario, where the doubly ionized atom in a noble gas cluster forms a dimer which dissipates its vibrational energy on a picosecond timescale. Our study complements the picture of the RCT process in weakly bound clusters, providing information which is inaccessible by charged particle detection techniques.

Frequency-dependent stability of CNT Joule heaters in ionizable media and desalination processes

NASA Astrophysics Data System (ADS)

Dudchenko, Alexander V.; Chen, Chuxiao; Cardenas, Alexis; Rolf, Julianne; Jassby, David

2017-07-01

Water shortages and brine waste management are increasing challenges for coastal and inland regions, with high-salinity brines presenting a particularly challenging problem. These high-salinity waters require the use of thermally driven treatment processes, such as membrane distillation, which suffer from high complexity and cost. Here, we demonstrate how controlling the frequency of an applied alternating current at high potentials (20 Vpp) to a porous thin-film carbon nanotube (CNT)/polymer composite Joule heating element can prevent CNT degradation in ionizable environments such as high-salinity brines. By operating at sufficiently high frequencies, these porous thin-films can be directly immersed in highly ionizable environments and used as flow-through heating elements. We demonstrate that porous CNT/polymer composites can be used as self-heating membranes to directly heat high-salinity brines at the water/vapour interface of the membrane distillation element, achieving high single-pass recoveries that approach 100%, far exceeding standard membrane distillation recovery limits.

Impact of local electrostatic field rearrangement on field ionization

NASA Astrophysics Data System (ADS)

Katnagallu, Shyam; Dagan, Michal; Parviainen, Stefan; Nematollahi, Ali; Grabowski, Blazej; Bagot, Paul A. J.; Rolland, Nicolas; Neugebauer, Jörg; Raabe, Dierk; Vurpillot, François; Moody, Michael P.; Gault, Baptiste

2018-03-01

Field ion microscopy allows for direct imaging of surfaces with true atomic resolution. The high charge density distribution on the surface generates an intense electric field that can induce ionization of gas atoms. We investigate the dynamic nature of the charge and the consequent electrostatic field redistribution following the departure of atoms initially constituting the surface in the form of an ion, a process known as field evaporation. We report on a new algorithm for image processing and tracking of individual atoms on the specimen surface enabling quantitative assessment of shifts in the imaged atomic positions. By combining experimental investigations with molecular dynamics simulations, which include the full electric charge, we confirm that change is directly associated with the rearrangement of the electrostatic field that modifies the imaging gas ionization zone. We derive important considerations for future developments of data reconstruction in 3D field ion microscopy, in particular for precise quantification of lattice strains and characterization of crystalline defects at the atomic scale.

"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.

Propagation direction reversal of ionization zones in the transition between high and low current magnetron sputtering

DOE Office of Scientific and Technical Information (OSTI.GOV)

School of Materials Science and Engineering, State Key Lab for Materials Processing and Die & Mold Technology, Huazhong University of Science and Technology, Wuhan 430074, China; Department of Physics, University of California Berkeley, Berkeley, California 94720, USA; Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720, USA

2014-12-11

Past research has revealed the propagation of dense, asymmetric ionization zones in both high and low current magnetron discharges. Here we report about the direction reversal of ionization zone propagation as observed with fast cameras. At high currents, zones move in the E B direction with velocities of 103 to 104 m/s. However at lower currents, ionization zones are observed to move in the opposite, the -E B direction, with velocities ~;; 103 m/s. It is proposed that the direction reversal is associated with the local balance of ionization and supply of neutrals in the ionization zone.

Tunable Ionization Modes of a Flowing Atmospheric-Pressure Afterglow (FAPA) Ambient Ionization Source.

PubMed

Badal, Sunil P; Michalak, Shawn D; Chan, George C-Y; You, Yi; Shelley, Jacob T

2016-04-05

Plasma-based ambient desorption/ionization sources are versatile in that they enable direct ionization of gaseous samples as well as desorption/ionization of analytes from liquid and solid samples. However, ionization matrix effects, caused by competitive ionization processes, can worsen sensitivity or even inhibit detection all together. The present study is focused on expanding the analytical capabilities of the flowing atmospheric-pressure afterglow (FAPA) source by exploring additional types of ionization chemistry. Specifically, it was found that the abundance and type of reagent ions produced by the FAPA source and, thus, the corresponding ionization pathways of analytes, can be altered by changing the source working conditions. High abundance of proton-transfer reagent ions was observed with relatively high gas flow rates and low discharge currents. Conversely, charge-transfer reagent species were most abundant at low gas flows and high discharge currents. A rather nonpolar model analyte, biphenyl, was found to significantly change ionization pathway based on source operating parameters. Different analyte ions (e.g., MH(+) via proton-transfer and M(+.) via charge-transfer) were formed under unique operating parameters demonstrating two different operating regimes. These tunable ionization modes of the FAPA were used to enable or enhance detection of analytes which traditionally exhibit low-sensitivity in plasma-based ADI-MS analyses. In one example, 2,2'-dichloroquaterphenyl was detected under charge-transfer FAPA conditions, which were difficult or impossible to detect with proton-transfer FAPA or direct analysis in real-time (DART). Overall, this unique mode of operation increases the number and range of detectable analytes and has the potential to lessen ionization matrix effects in ADI-MS analyses.

Nuclear Fission Investigation with Twin Ionization Chamber

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zeynalova, O.; Zeynalov, Sh.; Nazarenko, M.

2011-11-29

The purpose of the present paper was to report the recent results, obtained in development of digital pulse processing mathematics for prompt fission neutron (PFN) investigation using twin ionization chamber (TIC) along with fast neutron time-of-flight detector (ND). Due to well known ambiguities in literature (see refs. [4, 6, 9 and 11]), concerning a pulse induction on TIC electrodes by FF ionization, we first presented detailed mathematical analysis of fission fragment (FF) signal formation on TIC anode. The analysis was done using Ramo-Shockley theorem, which gives relation between charged particle motion between TIC electrodes and so called weighting potential. Weightingmore » potential was calculated by direct numerical solution of Laplace equation (neglecting space charge) for the TIC geometry and ionization, caused by FF. Formulae for grid inefficiency (GI) correction and digital pulse processing algorithms for PFN time-of-flight measurements and pulse shape analysis are presented and discussed.« less

Ionization of Atoms by Slow Heavy Particles, Including Dark Matter.

PubMed

Roberts, B M; Flambaum, V V; Gribakin, G F

2016-01-15

Atoms and molecules can become ionized during the scattering of a slow, heavy particle off a bound electron. Such an interaction involving leptophilic weakly interacting massive particles (WIMPs) is a promising possible explanation for the anomalous 9σ annual modulation in the DAMA dark matter direct detection experiment [R. Bernabei et al., Eur. Phys. J. C 73, 2648 (2013)]. We demonstrate the applicability of the Born approximation for such an interaction by showing its equivalence to the semiclassical adiabatic treatment of atomic ionization by slow-moving WIMPs. Conventional wisdom has it that the ionization probability for such a process should be exponentially small. We show, however, that due to nonanalytic, cusplike behavior of Coulomb functions close to the nucleus this suppression is removed, leading to an effective atomic structure enhancement. We also show that electron relativistic effects actually give the dominant contribution to such a process, enhancing the differential cross section by up to 1000 times.

Comparison of Internal Energy Distributions of Ions Created by Electrospray Ionization and Laser Ablation-Liquid Vortex Capture-Electrospray Ionization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cahill, John F.; Kertesz, Vilmos; Ovchinnikova, Olga S.

2015-06-27

Recently a number of techniques have combined laser ablation with liquid capture for mass spectrometry spot sampling and imaging applications. The newly developed non-contact liquid-vortex capture probe has been used to efficiently collect 355 nm UV laser ablated material in a continuous flow solvent stream in which the captured material dissolves and then undergoes electrospray ionization. This sampling and ionization approach has produced what appear to be classic electrospray ionization spectra; however, the softness of this sampling/ionization process versus simple electrospray ionization has not been definitely determined. A series of benzlypyridinium salts, known as thermometer ions, were used to comparemore » internal energy distributions between electrospray ionization and the UV laser ablation liquid-vortex capture probe electrospray combination. Measured internal energy distributions were identical between the two techniques, even with differences in laser fluence (0.7-3.1 J cm-2) and when using UV-absorbing or non-UV-absorbing sample substrates. This data indicates ions formed directly by UV laser ablation, if any, are likely an extremely small constituent of the total ion signal observed. Instead, neutral molecules, clusters or particulates ejected from the surface during laser ablation, subsequently captured and dissolved in the flowing solvent stream then electrosprayed are the predominant source of ion signal observed. The electrospray ionization process used controls the softness of the technique.« less

Multistep Ionization of Argon Clusters in Intense Femtosecond Extreme Ultraviolet Pulses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bostedt, C.; Thomas, H.; Hoener, M.

The interaction of intense extreme ultraviolet femtosecond laser pulses ({lambda}=32.8 nm) from the FLASH free electron laser (FEL) with clusters has been investigated by means of photoelectron spectroscopy and modeled by Monte Carlo simulations. For laser intensities up to 5x10{sup 13} W/cm{sup 2}, we find that the cluster ionization process is a sequence of direct electron emission events in a developing Coulomb field. A nanoplasma is formed only at the highest investigated power densities where ionization is frustrated due to the deep cluster potential. In contrast with earlier studies in the IR and vacuum ultraviolet spectral regime, we find nomore » evidence for electron emission from plasma heating processes.« less

Rings in above-threshold ionization: A quasiclassical analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lewenstein, M.; Kulander, K.C.; Schafer, K.J.

1995-02-01

A generalized strong-field approximation is formulated to describe atoms interacting with intense laser fields. We apply it to determine angular distributions of electrons in above-threshold ionization (ATI). The theory treats the effects of an electron rescattering from its parent ion core in a systematic perturbation series. Probability amplitudes for ionization are interpreted in terms of quasiclassical electron trajectories. We demonstrate that contributions from the direct tunneling processes in the absence of rescattering are not sufficient to describe the observed ATI spectra. We show that the high-energy portion of the spectrum, including recently discovered rings (i.e., complex features in the angularmore » distributions of outgoing electrons) are due to rescattering processes. We compare our quasiclassical results with exact numerical solutions.« less

Visualizing and Steering Dissociative Frustrated Double Ionization of Hydrogen Molecules

NASA Astrophysics Data System (ADS)

Zhang, Wenbin; Yu, Zuqing; Gong, Xiaochun; Wang, Junping; Lu, Peifen; Li, Hui; Song, Qiying; Ji, Qinying; Lin, Kang; Ma, Junyang; Li, Hanxiao; Sun, Fenghao; Qiang, Junjie; Zeng, Heping; He, Feng; Wu, Jian

2017-12-01

We experimentally visualize the dissociative frustrated double ionization of hydrogen molecules by using few-cycle laser pulses in a pump-probe scheme, in which process the tunneling ionized electron is recaptured by one of the outgoing nuclei of the breaking molecule. Three internuclear distances are recognized to enhance the dissociative frustrated double ionization of molecules at different instants after the first ionization step. The recapture of the electron can be further steered to one of the outgoing nuclei as desired by using phase-controlled two-color laser pulses. Both the experimental measurements and numerical simulations suggest that the Rydberg atom is favored to emit to the direction of the maximum of the asymmetric optical field. Our results on the one hand intuitively visualize the dissociative frustrated double ionization of molecules, and on the other hand open the possibility to selectively excite the heavy fragment ejected from a molecule.

Ionization Cross Sections and Dissociation Channels of DNA Bases by Electron Collisions

NASA Technical Reports Server (NTRS)

Huo, Winifred M.; Dateo, Christopher E.; Fletcher, Graham D.

2004-01-01

Free secondary electrons are the most abundant secondary species in ionizing radiation. Their role in DNA damage, both direct and indirect, is an active area of research. While indirect damage by free radicals, particularly by the hydroxyl radical generated by electron collision with water. is relatively well studied, damage by direct electron collision with DNA is less well understood. Only recently Boudaiffa et al. demonstrated that electrons at energies well below ionization thresholds can induce substantial yields of single- and double-strand breaks in DNA by a resonant, dissociative attachment process. This study attracted renewed interest in electron collisions with DNA, especially in the low energy region. At higher energies ionization becomes important. While Monte Carlo track simulations of radiation damage always include ionization, the probability of dissociative ionization, i.e., simultaneous ionization and dissociation, is ignored. Just like dissociative attachment, dissociative ionization may be an important contributor to double-strand breaks since the radicals and ions produced by dissociative ionization, located in the vicinity of the DNA coil, can readily interact with other parts of the DNA. Using the improved binary-encounter dipole (iBED) formulation, we calculated the ionization cross sections of the four DNA bases, adenine, cytosine, guanine, and thymine, by electrons at energies from threshold to 1 KeV. The present calculation gives cross sections approximately 20% lower than the results by Bemhardt and Paretzke using the Deutsch-Mark and Binary-Encounter-Bethe (BEB) formalisms. The difference is most likely due to the lack of a shielding term in the dipole potential used in the Deutsch-Mark and BEB formalisms. The dissociation channels of ionization for the bases are currently being studied.

Bond-rearrangement and ionization mechanisms in the photo-double-ionization of simple hydrocarbons (C 2H 4, C 2H 3F, and 1,1-C 2H 2F 2) near and above threshold

DOE PAGES

Gaire, B.; Gatton, A. S.; Wiegandt, F.; ...

2016-09-14

We have investigated bond-rearrangement driven by photo-double-ionization (PDI) near and above the double ionization threshold in a sequence of carbon-carbon double bonded hydrocarbon molecules: ethylene, fluoroethylene, and 1,1-difluoroethylene. We employ the kinematically complete cold target recoil ion momentum spectroscopy (COLTRIMS) method to resolve all photo-double-ionization events leading to two-ionic fragments. We observe changes in the branching ratios of different dissociative ionization channels depending on the presence of none, one, or two fluorine atoms. The role of the fluorine atom in the bond-rearrangement channels is intriguing as evident by the re-ordering of the threshold energies of the PDI in the fluorinatedmore » molecules. These effects offer a compelling argument that the electronegativity of the fluorine (or the polarity of the molecule) strongly influences the potential energy surfaces of the molcules and drives bond-rearrangement during the dissociation process. The energy sharing and the relative angle between the 3D-momentum vectors of the two electrons provide clear evidence of direct and indirect PDI processes.« less

Low pressure electrospray ionization system and process for effective transmission of ions

DOEpatents

Tang, Keqi [Richland, WA; Page, Jason S [Kennewick, WA; Kelly, Ryan T [Wet Richland, WA; Smith, Richard D [Richland, WA

2010-03-02

A system and method are disclosed that provide up to complete transmission of ions between coupled stages with low effective ion losses. A novel "interfaceless" electrospray ionization system is further described that operates the electrospray at a reduced pressure such that standard electrospray sample solutions can be directly sprayed into an electrodynamic ion funnel which provides ion focusing and transmission of ions into a mass analyzer.

Comparative study on ambient ionization methods for direct analysis of navel orange tissues by mass spectrometry.

PubMed

Zhang, Hua; Bibi, Aisha; Lu, Haiyan; Han, Jing; Chen, Huanwen

2017-08-01

It is of sustainable interest to improve the sensitivity and selectivity of the ionization process, especially for direct analysis of complex samples without matrix separation. Herein, four ambient ionization methods including desorption atmospheric pressure chemical ionization (DAPCI), heat-assisted desorption atmospheric pressure chemical ionization (heat-assisted DAPCI), microwave plasma torch (MPT) and internal extractive electrospray ionization (iEESI) were employed for comparative analysis of the navel orange tissue samples by mass spectrometry. The volatile organic compounds (e.g. ethanol, vanillin, leaf alcohol and jasmine lactone) were successfully detected by non-heat-assisted DAPCI-MS, while semi-volatile organic compounds (e.g. 1-nonanol and ethyl nonanoate) together with low abundance of non-volatile organic compounds (e.g. sinensetin and nobiletin) were obtained by heat-assisted DAPCI-MS. Typical nonvolatile organic compounds [e.g. 5-(hydroxymethyl)furfural and glucosan] were sensitively detected with MPT-MS. Compounds of high polarity (e.g. amino acids, alkaloids and sugars) were easily profiled with iEESI-MS. Our data showed that more analytes could be detected when more energy was delivered for the desorption ionization purpose; however, heat-sensitive analytes would not be detected once the energy input exceeded the dissociation barriers of the analytes. For the later cases, soft ionization methods such as iEESI were recommended to sensitively profile the bioanalytes of high polarity. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

Strong field control of the interatomic Coulombic decay process in quantum dots

NASA Astrophysics Data System (ADS)

Haller, Anika; Chiang, Ying-Chih; Menger, Maximilian; Aziz, Emad F.; Bande, Annika

2017-01-01

In recent years the laser-induced interatomic Coulombic decay (ICD) process in paired quantum dots has been predicted (Bande, 2013). In this work we target the enhancement of ICD by scanning over a range of strong-field laser intensities. The GaAs quantum dots are modeled by a one-dimensional double-well potential in which simulations are done with the space-resolved multi-configuration time-dependent Hartree method including antisymmetrization to account for the fermions. As a novelty a complementary state-resolved ansatz is developed to consolidate the interpretation of transient state populations, widths obtained for the ICD and the competing direct ionization channel, and Fano peak profiles in the photoelectron spectra. The major results are that multi-photon processes are unimportant even for the strongest fields. Further, below- π to π pulses display the highest ICD efficiency while the direct ionization becomes less dominant.

Directed Field Ionization

NASA Astrophysics Data System (ADS)

Gregoric, Vincent C.; Kang, Xinyue; Liu, Zhimin Cheryl; Rowley, Zoe A.; Carroll, Thomas J.; Noel, Michael W.

2017-04-01

Selective field ionization is an important experimental technique used to study the state distribution of Rydberg atoms. This is achieved by applying a steadily increasing electric field, which successively ionizes more tightly bound states. An atom prepared in an energy eigenstate encounters many avoided Stark level crossings on the way to ionization. As it traverses these avoided crossings, its amplitude is split among multiple different states, spreading out the time resolved electron ionization signal. By perturbing the electric field ramp, we can change how the atoms traverse the avoided crossings, and thus alter the shape of the ionization signal. We have used a genetic algorithm to evolve these perturbations in real time in order to arrive at a target ionization signal shape. This process is robust to large fluctuations in experimental conditions. This work was supported by the National Science Foundation under Grants No. 1607335 and No. 1607377 and used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation Grant Number OCI-1053575.

Optical observations on the CRIT-II Critical Ionization Velocity Experiment

NASA Technical Reports Server (NTRS)

Stenbaek-Nielsen, H. C.; Wescott, E. M.; Haerendel, G.; Valenzuela, A.

1990-01-01

A rocket borne Critical Ionization Velocity (CIV0 experiment was carried out from Wallops Island at dusk on May 4, 1989. Two barium shaped charges were released below the solar terminator (to prevent photoionization) at altitudes near 400 km. The ambient ionospheric electron density was 50,000/cu cm. The neutral barium jet was directed upward and at an angle of nominally 45 degrees to B which gives approximately 3 x 10 to the 23rd neutrals with super critical velocity. Ions created by a CIV process in the region of the neutral jet would travel up along B into sunlight where they can be detected optically. Well defined ion clouds (max. brightness 750 R) were observed in both releases. An ionization rate of 0.8 percent/sec (125 sec ionization time constant) can account for the observed ion cloud near the release field line, but the ionization rate falls off with increasing distance from the release. It is concluded that a CIV process was present in the neutral jet out to about 50 km from the release, which is significantly further than allowed by current theories.

Ionization of EPA Contaminants in Direct and Dopant-Assisted Atmospheric Pressure Photoionization and Atmospheric Pressure Laser Ionization

NASA Astrophysics Data System (ADS)

Kauppila, Tiina J.; Kersten, Hendrik; Benter, Thorsten

2015-06-01

Seventy-seven EPA priority environmental pollutants were analyzed using gas chromatography-mass spectrometry (GC-MS) equipped with an optimized atmospheric pressure photoionization (APPI) and an atmospheric pressure laser ionization (APLI) interface with and without dopants. The analyzed compounds included e.g., polycyclic aromatic hydrocarbons (PAHs), nitro compounds, halogenated compounds, aromatic compounds with phenolic, acidic, alcohol, and amino groups, phthalate and adipatic esters, and aliphatic ethers. Toluene, anisole, chlorobenzene, and acetone were tested as dopants. The widest range of analytes was ionized using direct APPI (66/77 compounds). The introduction of dopants decreased the amount of compounds ionized in APPI (e.g., 54/77 with toluene), but in many cases the ionization efficiency increased. While in direct APPI the formation of molecular ions via photoionization was the main ionization reaction, dopant-assisted (DA) APPI promoted ionization reactions, such as charge exchange and proton transfer. Direct APLI ionized a much smaller amount of compounds than APPI (41/77 compounds), showing selectivity towards compounds with low ionization energies (IEs) and long-lived resonantly excited intermediate states. DA-APLI, however, was able to ionize a higher amount of compounds (e.g. 51/77 with toluene), as the ionization took place entirely through dopant-assisted ion/molecule reactions similar to those in DA-APPI. Best ionization efficiency in APPI and APLI (both direct and DA) was obtained for PAHs and aromatics with O- and N-functionalities, whereas nitro compounds and aliphatic ethers were the most difficult to ionize. Halogenated aromatics and esters were (mainly) ionized in APPI, but not in APLI.

IDENTIFYING IONIZED REGIONS IN NOISY REDSHIFTED 21 cm DATA SETS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Malloy, Matthew; Lidz, Adam, E-mail: mattma@sas.upenn.edu

One of the most promising approaches for studying reionization is to use the redshifted 21 cm line. Early generations of redshifted 21 cm surveys will not, however, have the sensitivity to make detailed maps of the reionization process, and will instead focus on statistical measurements. Here, we show that it may nonetheless be possible to directly identify ionized regions in upcoming data sets by applying suitable filters to the noisy data. The locations of prominent minima in the filtered data correspond well with the positions of ionized regions. In particular, we corrupt semi-numeric simulations of the redshifted 21 cm signalmore » during reionization with thermal noise at the level expected for a 500 antenna tile version of the Murchison Widefield Array (MWA), and mimic the degrading effects of foreground cleaning. Using a matched filter technique, we find that the MWA should be able to directly identify ionized regions despite the large thermal noise. In a plausible fiducial model in which {approx}20% of the volume of the universe is neutral at z {approx} 7, we find that a 500-tile MWA may directly identify as many as {approx}150 ionized regions in a 6 MHz portion of its survey volume and roughly determine the size of each of these regions. This may, in turn, allow interesting multi-wavelength follow-up observations, comparing galaxy properties inside and outside of ionized regions. We discuss how the optimal configuration of radio antenna tiles for detecting ionized regions with a matched filter technique differs from the optimal design for measuring power spectra. These considerations have potentially important implications for the design of future redshifted 21 cm surveys.« less

(e,2e) and (Î3,2e) Processes: Open and Closed Questions

NASA Astrophysics Data System (ADS)

An important breakthrough has been achieved recently in the description of (e,2e) and (Î3,2e) processes with the development of new ab-initio theories: the external complex scaling theory (ECS), the time dependent close coupling theory (TDCC), and the hyperspherical R-matrix theory with semiclassical outgoing waves (HRM-SOW). The principles of these various theories are summarized, their relations are considered, and their achievements are discussed with respect to the available experimental data regarding electron impact ionization of H and photo double ionization of He. Possible directions for future work are outlined.

Effect of ionization on the oxidation kinetics of aluminum nanoparticles

NASA Astrophysics Data System (ADS)

Zheng, Yao-Ting; He, Min; Cheng, Guang-xu; Zhang, Zaoxiao; Xuan, Fu-Zhen; Wang, Zhengdong

2018-03-01

Molecular dynamics simulation (MD) of the observed stepwise oxidation of core-shell structured Al/Al2O3 nanoparticles is presented. Different from the metal ion hopping process in the Cabrera-Mott model, which is assumed to occur only at a certain distance from the oxide layer, the MD simulation shows that Al atoms jump over various interfacial gaps directly under the thermal driving force. The energy barrier for Al ionization is found to be increased along with the enlargement of interfacial gap. A mechanism of competition between thermal driving force and ionization potential barrier is proposed in the interpretation of stepwise oxidation behavior.

On the Effects of Bremsstrahlung Radiation During Energetic Electron Precipitation

NASA Astrophysics Data System (ADS)

Xu, Wei; Marshall, Robert A.; Fang, Xiaohua; Turunen, Esa; Kero, Antti

2018-01-01

Precipitation of energetic particles into the Earth's atmosphere can significantly change the properties, dynamics, as well as the chemical composition of the upper and middle atmosphere. In this paper, using Monte Carlo models, we simulate, from first principles, the interaction of monoenergetic beams of precipitating electrons with the atmosphere, with particular emphasis on the process of bremsstrahlung radiation and its resultant ionization production and atmospheric effects. The pitch angle dependence of the ionization rate profile has been quantified: the altitude of peak ionization rate depends on the pitch angle by a few kilometers. We also demonstrate that the transport of precipitating electron energy in the form of bremsstrahlung photons leads to ionization at altitudes significantly lower than the direct impact ionization, as low as ˜20 km for 1 MeV precipitating electrons. Moreover, chemical modeling results suggest that the chemical effects in the atmosphere due to bremsstrahlung-induced ionization production during energetic electron precipitation are likely insignificant.

Recommended direct simulation Monte Carlo collision model parameters for modeling ionized air transport processes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Swaminathan-Gopalan, Krishnan; Stephani, Kelly A., E-mail: ksteph@illinois.edu

2016-02-15

A systematic approach for calibrating the direct simulation Monte Carlo (DSMC) collision model parameters to achieve consistency in the transport processes is presented. The DSMC collision cross section model parameters are calibrated for high temperature atmospheric conditions by matching the collision integrals from DSMC against ab initio based collision integrals that are currently employed in the Langley Aerothermodynamic Upwind Relaxation Algorithm (LAURA) and Data Parallel Line Relaxation (DPLR) high temperature computational fluid dynamics solvers. The DSMC parameter values are computed for the widely used Variable Hard Sphere (VHS) and the Variable Soft Sphere (VSS) models using the collision-specific pairing approach.more » The recommended best-fit VHS/VSS parameter values are provided over a temperature range of 1000-20 000 K for a thirteen-species ionized air mixture. Use of the VSS model is necessary to achieve consistency in transport processes of ionized gases. The agreement of the VSS model transport properties with the transport properties as determined by the ab initio collision integral fits was found to be within 6% in the entire temperature range, regardless of the composition of the mixture. The recommended model parameter values can be readily applied to any gas mixture involving binary collisional interactions between the chemical species presented for the specified temperature range.« less

Commercial silicon-on-insulator (SOI) wafers as a versatile substrate for laser desorption/ionization mass spectrometry.

PubMed

Kim, Shin Hye; Kim, Jeongkwon; Moon, Dae Won; Han, Sang Yun

2013-01-01

We report here that a commercial silicon-on-insulator (SOI) wafer offers an opportunity for laser desorption/ionization (LDI) of peptide molecules, which occurs directly from its flat surface without requiring special surface preparation. The LDI-on-SOI exhibits intact ionization of peptides with a good detection limit of lower than 20 fmol, of which the mass range is demonstrated up to insulin with citric acid additives. The LDI process most likely arises from laser-induced surface heating promoted by two-dimensional thermal confinement in the thin Si surface layer of the SOI wafer. As a consequence of the thermal process, the LDI-on-SOI method is also capable of creating post-source decay (PSD) of the resulting peptide LDI ions, which is suitable for peptide sequencing using conventional TOF/TOF mass spectrometry.

Laser ablation-miniature mass spectrometer for elemental and isotopic analysis of rocks.

PubMed

Sinha, M P; Neidholdt, E L; Hurowitz, J; Sturhahn, W; Beard, B; Hecht, M H

2011-09-01

A laser ablation-miniature mass spectrometer (LA-MMS) for the chemical and isotopic measurement of rocks and minerals is described. In the LA-MMS method, neutral atoms ablated by a pulsed laser are led into an electron impact ionization source, where they are ionized by a 70 eV electron beam. This results in a secondary ion pulse typically 10-100 μs wide, compared to the original 5-10 ns laser pulse duration. Ions of different masses are then spatially dispersed along the focal plane of the magnetic sector of the miniature mass spectrometer (MMS) and measured in parallel by a modified CCD array detector capable of detecting ions directly. Compared to conventional scanning techniques, simultaneous measurement of the ion pulse along the focal plane effectively offers a 100% duty cycle over a wide mass range. LA-MMS offers a more quantitative assessment of elemental composition than techniques that detect ions directly generated by the ablation process because the latter can be strongly influenced by matrix effects that vary with the structure and geometry of the surface, the wavelength of the laser beam, and the not well characterized ionization efficiencies of the elements in the process. The above problems attendant to the direct ion analysis has been minimized in the LA-MMS by analyzing the ablated neutral species after their post-ionization by electron impaction. These neutral species are much more abundant than the directly ablated ions in the ablated vapor plume and are, therefore, expected to be characteristic of the chemical composition of the solid. Also, the electron impact ionization of elements is well studied and their ionization cross sections are known and easy to find in databases. Currently, the LA-MMS limit of detection is 0.4 wt.%. Here we describe LA-MMS elemental composition measurements of various minerals including microcline, lepidolite, anorthoclase, and USGS BCR-2G samples. The measurements of high precision isotopic ratios including (41)K/(39)K (0.077 ± 0.004) and (29)Si/(28)Si (0.052 ± 0.006) in these minerals by LA-MMS are also described. The LA-MMS has been developed as a prototype instrument system for space applications for geochemical and geochronological measurements on the surface of extraterrestrial bodies. © 2011 American Institute of Physics

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 Chapter 1. Chapter 2 presents the first investigations into the atmospheric pressure ion transport phenomena during DART analysis. Chapter 3 provides a comparison on the internal energy deposition processes during DART and pneumatically assisted-ESI. Chapter 4 investigates the complex spatially-dependent sampling sensitivity, dynamic range and ion suppression effects present in most DART experiments. New implementations and applications with DART are shown in Chapters 5 and 6. In Chapter 5, DART is coupled to multiplexed drift tube ion mobility spectrometry as a potential fieldable platform for the detection of toxic industrial chemicals and chemical warfare agents simulants. In Chapter 6, transmission-mode DART is shown to be an effective method for reproducible sampling from materials which allow for gas to flow through it. Also, Chapter 6 provides a description of a MS imaging platform coupling infrared laser ablation and DART-like phenomena. Finally, in Chapter 7 I will provide perspective on the work completed with DART and the tasks and goals that future studies should focus on.

Magnetic solid phase extraction coupled with desorption corona beam ionization-mass spectrometry for rapid analysis of antidepressants in human body fluids.

PubMed

Chen, Di; Zheng, Hao-Bo; Huang, Yun-Qing; Hu, Yu-Ning; Yu, Qiong-Wei; Yuan, Bi-Feng; Feng, Yu-Qi

2015-08-21

Ambient ionization techniques show good potential in rapid analysis of target compounds. However, a direct application of these ambient ionization techniques for the determination of analytes in a complex matrix is difficult due to the matrix interference and ion suppression. To resolve this problem, here we developed a strategy by coupling magnetic solid phase extraction (MSPE) with desorption corona beam ionization (DCBI)-mass spectrometry (MS). As a proof of concept, the pyrrole-coated Fe3O4 magnetic nanoparticles (Fe3O4@Ppy) were prepared and used for the extraction of antidepressants. After extraction, the Fe3O4@Ppy with trapped antidepressants was then directly subjected to DCBI-MS analysis with the aid of a homemade magnetic glass capillary. As the MSPE process is rapid and the direct DCBI-MS analysis does not need solvent desorption or chromatographic separation processes, the overall analysis can be completed within 3 min. The proposed MSPE-DCBI-MS method was then successfully used to determine antidepressants in human urine and plasma. The calibration curves were obtained in the range of 0.005-0.5 μg mL(-1) for urine and 0.02-1 μg mL(-1) for plasma with reasonable linearity (R(2) > 0.951). The limits of detection of three antidepressants were in the range of 0.2-1 ng mL(-1) for urine and 2-5 ng mL(-1) for plasma. Acceptable reproducibility for rapid analysis was achieved with relative standard deviations less than 19.1% and the relative recoveries were 85.2-118.7%. Taken together, the developed MSPE-DCBI-MS strategy offers a powerful capacity for rapid analysis of target compounds in a complex matrix, which would greatly expand the applications of ambient ionization techniques with plentiful magnetic sorbents.

A Multistep Algorithm for the Radiation Hydrodynamical Transport of Cosmological Ionization Fronts and Ionized Flows

NASA Astrophysics Data System (ADS)

Whalen, Daniel; Norman, Michael L.

2006-02-01

Radiation hydrodynamical transport of ionization fronts (I-fronts) in the next generation of cosmological reionization simulations holds the promise of predicting UV escape fractions from first principles as well as investigating the role of photoionization in feedback processes and structure formation. We present a multistep integration scheme for radiative transfer and hydrodynamics for accurate propagation of I-fronts and ionized flows from a point source in cosmological simulations. The algorithm is a photon-conserving method that correctly tracks the position of I-fronts at much lower resolutions than nonconservative techniques. The method applies direct hierarchical updates to the ionic species, bypassing the need for the costly matrix solutions required by implicit methods while retaining sufficient accuracy to capture the true evolution of the fronts. We review the physics of ionization fronts in power-law density gradients, whose analytical solutions provide excellent validation tests for radiation coupling schemes. The advantages and potential drawbacks of direct and implicit schemes are also considered, with particular focus on problem time-stepping, which if not properly implemented can lead to morphologically plausible I-front behavior that nonetheless departs from theory. We also examine the effect of radiation pressure from very luminous central sources on the evolution of I-fronts and flows.

Assessment of Real-Time Time-Dependent Density Functional Theory (RT-TDDFT) in Radiation Chemistry: Ionized Water Dimer.

PubMed

Chalabala, Jan; Uhlig, Frank; Slavíček, Petr

2018-03-29

Ionization in the condensed phase and molecular clusters leads to a complicated chain of processes with coupled electron-nuclear dynamics. It is difficult to describe such dynamics with conventional nonadiabatic molecular dynamics schemes since the number of states swiftly increases as the molecular system grows. It is therefore attractive to use a direct electron and nuclear propagation such as the real-time time-dependent density functional theory (RT-TDDFT). Here we report a RT-TDDFT benchmark study on simulations of singly and doubly ionized states of a water monomer and dimer as a prototype for more complex processes in a condensed phase. We employed the RT-TDDFT based Ehrenfest molecular dynamics with a generalized gradient approximate (GGA) functional and compared it with wave-function-based surface hopping (SH) simulations. We found that the initial dynamics of a singly HOMO ionized water dimer is similar for both the RT-TDDFT/GGA and the SH simulations but leads to completely different reaction channels on a longer time scale. This failure is attributed to the self-interaction error in the GGA functionals and it can be avoided by using hybrid functionals with large fraction of exact exchange (represented here by the BHandHLYP functional). The simulations of doubly ionized states are reasonably described already at the GGA level. This suggests that the RT-TDDFT/GGA method could describe processes following the autoionization processes such as Auger emission, while its applicability to more complex processes such as intermolecular Coulombic decay remains limited.

Direct Impact Corona Ionization of Bacteria for Rapid, Reproducible Identification via Spectral Pattern Recognition

NASA Astrophysics Data System (ADS)

Alusta, Pierre; Buzatu, Dan; Tarasenko, Olga; Wilkes, Jon; Darsey, Jerry

2011-06-01

A novel atmospheric pressure ionization process, Direct Impact Corona Ionization (DICI), is described here. In this process, a corona impinges onto the flat surface of a stainless steel pin carrying a thin film of dried bacterial suspension, the analyte. Two electrodes—a corona electrode and the sample pin—are immersed in hot inert He gas flux, flowing past them towards a 0.4 mm orifice leading to a mass spectrometer analyzer. An electric potential of 1.5-3.0 kV is placed between the two. At distances less than 1 cm, an intermittent arc is formed. At approximately 4 mm, the arc becomes a continuous corona discharge (plasma). The plasma is hot enough to: A) locally melt the impact zone on the steel pin, and B) ablate the dry thin bacterial film deposited on the metal pin. Biomolecular ions as heavy as 790 m/z are generated. Mass spectral fingerprints of bacteria are obtained with a high degree of reproducibility by selecting the highest intensity of an "indicator ion", 560.5 m/z or another relatively heavy ion whose appearance signals efficient vaporization of low volatility components.

Coincidence and covariance data acquisition in photoelectron and -ion spectroscopy. I. Formal theory

NASA Astrophysics Data System (ADS)

Mikosch, Jochen; Patchkovskii, Serguei

2013-10-01

We derive a formal theory of noisy Poisson processes with multiple outcomes. We obtain simple, compact expressions for the probability distribution function of arbitrarily complex composite events and its moments. We illustrate the utility of the theory by analyzing properties of coincidence and covariance photoelectron-photoion detection involving single-ionization events. The results and techniques introduced in this work are directly applicable to more general coincidence and covariance experiments, including multiple ionization and multiple-ion fragmentation pathways.

Low pressure electrospray ionization system and process for effective transmission of ions

DOEpatents

Tang, Keqi [Richland, WA; Page, Jason S [Kennewick, WA; Kelly, Ryan T [West Richland, WA; Smith, Richard D [Richland, WA

2012-05-08

Systems and methods that provide up to complete transmission of ions between coupled stages with low effective ion losses. An "interfaceless" electrospray ionization system is further described that operates an electrospray at a reduced pressure such that standard electrospray sample solutions can be directly sprayed into an electrodynamic ion funnel which provides ion focusing and transmission of ions into a mass analyzer. Furthermore, chambers maintained at different pressures can allow for more optimal operating conditions for an electrospray emitter and an ion guide.

Comparative simulation analysis on the ignition threshold of atmospheric He and Ar dielectric barrier discharge

NASA Astrophysics Data System (ADS)

Yao, Congwei; Chang, Zhengshi; Chen, Sile; Ma, Hengchi; Mu, Haibao; Zhang, Guan-Jun

2017-09-01

Dielectric barrier discharge (DBD) is widely applied in many fields, and the discharge characteristics of insert gas have been the research focus for years. In this paper, fluid models of atmospheric Ar and He DBDs driven by 22 kHz sinusoidal voltage are built to analyze their ignition processes. The contributions of different electron sources in ignition process are analyzed, including the direct ionization of ground state atom, stepwise ionization of metastable particles, and secondary electron emission from dielectric wall, and they play different roles in different discharge stages. The Townsend direct ionization coefficient of He is higher than Ar with the same electrical field intensity, which is the direct reason for the different ignition thresholds between He and Ar. Further, the electron energy loss per free electron produced in Ar and He DBDs is discussed. It is found that the total electron energy loss rate of Ar is higher than He when the same electrical field is applied. The excitation reaction of Ar consumes the major electron energy but cannot produce free electrons effectively, which is the essential reason for the higher ignition threshold of Ar. The computation results of He and Ar extinction voltages can be explained in the view of electron energy loss, as well as the experimental results of different extinction voltages between Ar/NH3 and He DBDs.

SERENA: a Novel Instrument Package on board BepiColombo-MPO to study Neutral and Ionized Particles in the Hermean Environment

NASA Astrophysics Data System (ADS)

Orsini, S.; Livi, S.; Torkar, K.; Barabash, S.; Milillo, A.; Wurz, P.; di Lellis, A. M.; Kallio, E.

2009-06-01

SERENA (`Search for Exospheric Refilling and Emitted Natural Abundances') is an instrument package that will fly on board the BepiColombo Mercury Planetary Orbiter (MPO) it will investigate the Mercury's complex particle environment that surrounds the planet. Such an environment is composed by thermal and directional neutral atoms (exosphere) originating via surface release and charge-exchange processes, and by ionized particles originated through photo-ionization and again by surface release processes. In order to accomplish the scientific goals, in-situ analysis of the environmental elements is necessary, and for such a purpose the SERENA instrument shall include four units: two Neutral Particle Analyzers (ELENA and STROFIO) and two Ion Spectrometers (MIPA and PICAM). The scientific merit of SERENA is presented, and the basic characteristics of the four units are described, with a focus on novel technological aspects.

Caspase-independent cell death mediated by apoptosis-inducing factor (AIF) nuclear translocation is involved in ionizing radiation induced HepG2 cell death

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Hengwen; Yang, Shana; Li, Jianhua

Hepatocellular carcinoma (HCC) is the fifth most common cancer in the world. The aim of radiotherapy is to eradicate cancer cells with ionizing radiation. Except for the caspase-dependent mechanism, several lines of evidence demonstrated that caspase-independent mechanism is directly involved in the cell death responding to irradiation. For this reason, defining the contribution of caspase-independent molecular mechanisms represents the main goal in radiotherapy. In this study, we focused on the role of apoptosis-inducing factor (AIF), the caspase-independent molecular, in ionizing radiation induced hepatocellular carcinoma cell line (HepG2) cell death. We found that ionizing radiation has no function on AIF expressionmore » in HepG2 cells, but could induce AIF release from the mitochondria and translocate into nuclei. Inhibition of AIF could reduce ionizing radiation induced HepG2 cell death. These studies strongly support a direct relationship between AIF nuclear translocation and radiation induced cell death. What's more, AIF nuclear translocation is caspase-independent manner, but not caspase-dependent manner, in this process. These new findings add a further attractive point of investigation to better define the complex interplay between caspase-independent cell death and radiation therapy. - Highlights: • AIF nuclear translocation is involved in ionizing radiation induced hepatocellular carcinoma cell line HepG2 cell death. • AIF mediated cell death induced by ionizing radiation is caspase-independent. • Caspase-independent pathway is involved in ionzing radiation induced HepG2 cell death.« less

Dissociative properties of 1,1,1,2-tetrafluoroethane obtained by computational chemistry

NASA Astrophysics Data System (ADS)

Hayashi, Toshio; Ishikawa, Kenji; Sekine, Makoto; Hori, Masaru

2018-06-01

The electronic properties and dissociative channels of the alternative to the CCl2F2 (CFC-12) refrigerant, 1,1,1,2-tetrafluoroethane (HFC-134a) with a low global warming potential (GWP, 1430), were revealed by computational chemistry. The results show that CF3 + and CHF2 + ions are mainly produced by ionization. The CF3CH2 + ion is produced by ion pair formation and by direct ionization in the energy region higher than approximately 15 eV, but also in small amounts by the ionization of the dissociated CF3CH2 radical. This information is useful for etching process engineers in leading-edge semiconductor manufacturing.

Penning ionization electron spectroscopy of CO 2 clusters in collision with metastable rare gas atoms

NASA Astrophysics Data System (ADS)

Maruyama, Ryo; Tanaka, Hideyasu; Yamakita, Yoshihiro; Misaizu, Fuminori; Ohno, Koichi

2000-09-01

Penning ionization electron spectra (PIES) of CO 2 clusters have been observed for the first time. An unusually fast electron band with excess kinetic energies of 1.4-2.9 eV with respect to the monomer band for the ionic X state was observed for CO 2 clusters in collision with He*(2 3S) atoms. While for PIES with Ne*(3 3P), no such unusual band was observed. The unusual band is ascribed to autoionization into stable structures of ionic clusters to which direct ionization processes are almost impossible due to very small Franck-Condon overlaps associated with a very large geometry difference between the ionic and neutral clusters.

Interpretation of the electric fields measured in an ionospheric critical ionization velocity experiment

NASA Technical Reports Server (NTRS)

Brenning, N.; Faelthammar, C.-G.; Marklund, G.; Haerendel, G.; Kelley, M. C.; Pfaff, R.

1991-01-01

The quasi-dc electric fields measured in the CRIT I ionospheric release experiment are studied. In the experiment, two identical barium shaped charges were fired toward a main payload, and three-dimensional measurements of the electric field inside the streams were made. The relevance of proposed mechanisms for electron heating in the critical ionization velocity (CIV) mechanism is addressed. It is concluded that both the 'homogeneous' and the 'ionizing front' models probably are valid, but in different parts of the streams. It is also possible that electrons are directly accelerated by a magnetic field-aligned component of the electric field. The coupling between the ambient ionosphere and the ionized barium stream is more complicated that is usually assumed in CIV theories, with strong magnetic-field-aligned electric fields and probably current limitation as important processes.

Direct analysis in real time--a critical review on DART-MS.

PubMed

Gross, Jürgen H

2014-01-01

Direct analysis in real time mass spectrometry (DART-MS) has become an established technique for rapid mass spectral analysis of a large variety of samples. DART-MS is capable of analyzing the sample at atmospheric pressure, essentially in the open laboratory environment. DART-MS can be applied to compounds that have been deposited or adsorbed on to surfaces or that are being desorbed therefrom into the atmosphere. This makes DART-MS suitable and well-known for analysis of ingredients of plant materials, pesticide monitoring on vegetables, forensic and safety applications such as screening for traces of explosives, warfare agents, or illicit drugs on luggage, clothes, or bank notes, etc. DART can also be used for analysis of either solid or liquid bulk materials, as may be required in quality control, or to quickly investigate the identity of a compound from chemical synthesis. Even living organisms can be subjected to DART-MS. Driven by different needs in analytical practice, the combination of the DART ionization source and interface can be configured in multiple geometries and with various accessories to adapt the setup as required. Analysis by DART-MS relies on some sort of gas-phase ionization mechanism. In DART, initial generation of the ionizing species is by use of a corona discharge in a pure helium atmosphere which delivers excited helium atoms that, upon their release into the atmosphere, will initiate a cascade of gas-phase reactions. In the end, this results in reagent ions created from atmospheric water or (solvent) vapor in the vicinity of the surface subject to analysis where they effect a chemical ionization process. DART ionization processes may generate positive or negative ions, predominantly even-electron species, but odd-electron species do also occur. The prevailing process of analyte ion formation from a given sample is highly dependent on analyte properties.

Numerical studies of wall–plasma interactions and ionization phenomena in an ablative pulsed plasma thruster

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Lei; School of Astronautics, Beihang University, Beijing 100191; Zeng, Guangshang

2016-07-15

Wall–plasma interactions excited by ablation controlled arcs are very critical physical processes in pulsed plasma thrusters (PPTs). Their effects on the ionization processes of ablated vapor into discharge plasma directly determine PPT performances. To reveal the physics governing the ionization phenomena in PPT discharge, a modified model taking into account the pyrolysis effect of heated polytetrafluoroethylene propellant on the wall–plasma interactions was developed. The feasibility of the modified model was analyzed by creating a one-dimensional simulation of a rectangular ablative PPT. The wall–plasma interaction results based on this modified model were found to be more realistic than for the unmodifiedmore » model; this reflects the dynamic changes of the inflow parameters during discharge in our model. Furthermore, the temporal and spatial variations of the different plasma species in the discharge chamber were numerically studied. The numerical studies showed that polytetrafluoroethylene plasma was mainly composed of monovalent ions; carbon and fluorine ions were concentrated in the upstream and downstream discharge chamber, respectively. The results based on this modified model were in good agreement with the experimental formation times of the various plasma species. A large number of short-lived and highly ionized carbon and fluorine species (divalent and trivalent ions) were created during initial discharge. These highly ionized species reached their peak density earlier than the singly ionized species.« less

Development of a Microfluidic Open Interface with Flow Isolated Desorption Volume for the Direct Coupling of SPME Devices to Mass Spectrometry.

PubMed

Tascon, Marcos; Alam, Md Nazmul; Gómez-Ríos, Germán Augusto; Pawliszyn, Janusz

2018-02-20

Technologies that efficiently integrate the sampling and sample preparation steps with direct introduction to mass spectrometry (MS), providing simple and sensitive analytical workflows as well as capabilities for automation, can generate a great impact in a vast variety of fields, such as in clinical, environmental, and food-science applications. In this study, a novel approach that facilitates direct coupling of Bio-SPME devices to MS using a microfluidic design is presented. This technology, named microfluidic open interface (MOI), which operates under the concept of flow-isolated desorption volume, consists of an open-to-ambient desorption chamber (V ≤ 7 μL) connected to an ionization source. Subsequently, compounds of interest are transported to the ionization source by means of the self-aspiration process intrinsic of these interfaces. Thus, any ionization technology that provides a reliable and constant suction, such as electrospray ionization (ESI), atmospheric-pressure chemical ionization (APCI), or inductively coupled plasma ionization (ICP), can be hyphenated to MOI. Using this setup, the desorption chamber is used to release target compounds from the coating, while the isolation of the flow enables the ionization source to be continuously fed with solvent, all without the necessity of employment of additional valves. As a proof of concept, the design was applied to an ESI-MS/MS system for experimental validation. Furthermore, numerical simulations were undertaken to provide a detailed understanding of the fluid flow pattern inside the interface, then used to optimize the system for better efficiency. The analytical workflow of the developed Bio-SPME-MOI-MS setup consists of the direct immersion of SPME fibers into the matrix to extract/enrich analytes of interest within a short period of time, followed by a rinsing step with water to remove potentially adhering proteins, salts, and/or other interfering compounds. Next, the fiber is inserted into the MOI for desorption of compounds of interest. Finally, the volume contained in the chamber is drained and moved toward the electrospray needle for ionization and direct introduction to MS. Aiming to validate the technology, the fast determination of selected immunosuppressive drugs (e.g., tacrolimus, cyclosporine, sirolimus, and everolimus) from 100 μL of whole blood was assessed. Limits of quantitation in the subppb range were obtained for all studied compounds. Good linearity (r 2 ≥ 0.99) and excellent precision, with (8%) and without (14%) internal standard correction, were attained.

Beacons in the dark: using the most distant galaxies to probe cosmic reionization

NASA Astrophysics Data System (ADS)

De Barros, Stephane

2017-08-01

One of the major unresolved problems in modern cosmology is when and how the universe was ionized. The consensus scenario is that ultra-faint, low-mass galaxies contributed most to the UV background at high-redshift and that reionization was an inhomogeneous process, with ionized bubbles created first around galaxy overdensities. The very surprising discovery of Ly-alpha emission lines around a large fraction of the most luminous galaxies at z=7.4-8.7, when we expect the universe to be highly neutral, could thus be explained by the fact that they lie in large HII bubbles which were ionized thanks to yet undetected fainter neighbors. Theoretical models indeed predict a boost of up to 6x larger galaxy counts around the brightest sources compared to the general field, when probing down to luminosities as faint as 0.1L_UV of the central source. Here we propose a direct test of these models by searching for fainter neighbors around three bright z>7.4 galaxies emitting Ly-alpha, including two sources that lie only 9 Mpc from each other and could share the same ionized bubble, as well as the most distant confirmed Ly-alpha emitter EGSY-8p7 at z=8.68. Given the expected overdensities, we have the opportunity to detect 20 (and up to 50) new z 7-9 galaxies with only a modest investment of HST time. These observations are thus maximally efficient at providing a large number of precious high-redshift targets for early JWST spectroscopy to directly study the galaxies that are in the process of ionizing the universe. Our imaging will further enhance the legacy of the CANDELS/EGS field, and we will make the reduced data available to the community immediately for JWST follow-up.

Applicability of post-ionization theory to laser-assisted field evaporation of magnetite

DOE PAGES

Schreiber, Daniel K.; Chiaramonti, Ann N.; Gordon, Lyle M.; ...

2014-12-15

Analysis of the mean Fe ion charge state from laser-assisted field evaporation of magnetite (Fe3O4) reveals unexpected trends as a function of laser pulse energy that break from conventional post-ionization theory for metals. For Fe ions evaporated from magnetite, the effects of post-ionization are partially offset by the increased prevalence of direct evaporation into higher charge states with increasing laser pulse energy. Therefore the final charge state is related to both the field strength and the laser pulse energy, despite those variables themselves being intertwined when analyzing at a constant detection rate. Comparison of data collected at different base temperaturesmore » also show that the increased prevalence of Fe2+ at higher laser energies is possibly not a direct thermal effect. Conversely, the ratio of 16O+:16O2+ is well-correlated with field strength and unaffected by laser pulse energy on its own, making it a better overall indicator of the field evaporation conditions than the mean Fe charge state. Plotting the normalized field strength versus laser pulse energy also elucidates a non-linear dependence, in agreement with previous observations on semiconductors, that suggests a field-dependent laser absorption efficiency. Together these observations demonstrate that the field evaporation process for laser-pulsed oxides exhibits fundamental differences from metallic specimens that cannot be completely explained by post-ionization theory. Further theoretical studies, combined with detailed analytical observations, are required to understand fully the field evaporation process of non-metallic samples.« less

Temporal correlation and correlated momentum distribution in nonsequential double ionization of Mg by circularly polarized laser fields

NASA Astrophysics Data System (ADS)

Xu, Tong-Tong; Ben, Shuai; Guo, Pei-Ying; Song, Kai-Li; Zhang, Jun; Liu, Xue-Shen

2017-07-01

We use the classical ensemble method to investigate the nonsequential double ionization (NSDI) process of Mg atoms in circularly polarized laser fields at a lower laser intensity. We illustrate the temporal correlation of the ‘side-by-side’ and the ‘back-to-back emission’. It indicates that the two electrons are more likely to be emitted at the same time for the ‘side-by-side emission’. We demonstrate the electronic trajectories from recollision-induced ionization (RII) and recollision-induced excitation with subsequent ionization (RESI). The distribution of the angle between the two ionized directions of the two electrons and the ion momentum distribution show that the anticorrelation distribution is dominant in the RESI mechanism and correlation distribution is dominant in the RII mechanism. The momentum distributions of Mg atoms for the slow and the fast electrons present a similar structure to the experimental observation of Ar atoms by Liu et al 2014 (Phys. Rev. Lett. 112 013003).

Lifetime of inner-shell hole states of Ar (2p) and Kr (3d) using equation-of-motion coupled cluster method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghosh, Aryya; Vaval, Nayana, E-mail: np.vaval@ncl.res.in; Pal, Sourav

2015-07-14

Auger decay is an efficient ultrafast relaxation process of core-shell or inner-shell excited atom or molecule. Generally, it occurs in femto-second or even atto-second time domain. Direct measurement of lifetimes of Auger process of single ionized and double ionized inner-shell state of an atom or molecule is an extremely difficult task. In this paper, we have applied the highly correlated complex absorbing potential-equation-of-motion coupled cluster (CAP-EOMCC) approach which is a combination of CAP and EOMCC approach to calculate the lifetime of the states arising from 2p inner-shell ionization of an Ar atom and 3d inner-shell ionization of Kr atom. Wemore » have also calculated the lifetime of Ar{sup 2+}(2p{sup −1}3p{sup −1}) {sup 1}D, Ar{sup 2+}(2p{sup −1}3p{sup −1}) {sup 1}S, and Ar{sup 2+}(2p{sup −1}3s{sup −1}) {sup 1}P double ionized states. The predicted results are compared with the other theoretical results as well as experimental results available in the literature.« less

Multiple ionization of neon by soft x-rays at ultrahigh intensity

NASA Astrophysics Data System (ADS)

Guichard, R.; Richter, M.; Rost, J.-M.; Saalmann, U.; Sorokin, A. A.; Tiedtke, K.

2013-08-01

At the free-electron laser FLASH, multiple ionization of neon atoms was quantitatively investigated at photon energies of 93.0 and 90.5 eV. For ion charge states up to 6+, we compare the respective absolute photoionization yields with results from a minimal model and an elaborate description including standard sequential and direct photoionization channels. Both approaches are based on rate equations and take into account a Gaussian spatial intensity distribution of the laser beam. From the comparison we conclude that photoionization up to a charge of 5+ can be described by the minimal model which we interpret as sequential photoionization assisted by electron shake-up processes. For higher charges, the experimental ionization yields systematically exceed the elaborate rate-based prediction.

Electron molecular ion recombination: product excitation and fragmentation.

PubMed

Adams, Nigel G; Poterya, Viktoriya; Babcock, Lucia M

2006-01-01

Electron-ion dissociative recombination is an important ionization loss process in any ionized gas containing molecular ions. This includes the interstellar medium, circumstellar shells, cometary comae, planetary ionospheres, fusion plasma boundaries, combustion flames, laser plasmas and chemical deposition and etching plasmas. In addition to controlling the ionization density, the process generates many radical species, which can contribute to a parallel neutral chemistry. Techniques used to obtain rate data and product information (flowing afterglows and storage rings) are discussed and recent data are reviewed including diatomic to polyatomic ions and cluster ions. The data are divided into rate coefficients and cross sections, including their temperature/energy dependencies, and quantitative identification of neutral reaction products. The latter involve both ground and electronically excited states and including vibrational excitation. The data from the different techniques are compared and trends in the data are examined. The reactions are considered in terms of the basic mechanisms (direct and indirect processes including tunneling) and recent theoretical developments are discussed. Finally, new techniques are mentioned (for product identification; electrostatic storage rings, including single and double rings; Coulomb explosion) and new ways forward are suggested.

Ambient Mass Spectrometry Imaging Using Direct Liquid Extraction Techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Laskin, Julia; Lanekoff, Ingela

2015-11-13

Mass spectrometry imaging (MSI) is a powerful analytical technique that enables label-free spatial localization and identification of molecules in complex samples.1-4 MSI applications range from forensics5 to clinical research6 and from understanding microbial communication7-8 to imaging biomolecules in tissues.1, 9-10 Recently, MSI protocols have been reviewed.11 Ambient ionization techniques enable direct analysis of complex samples under atmospheric pressure without special sample pretreatment.3, 12-16 In fact, in ambient ionization mass spectrometry, sample processing (e.g., extraction, dilution, preconcentration, or desorption) occurs during the analysis.17 This substantially speeds up analysis and eliminates any possible effects of sample preparation on the localization of moleculesmore » in the sample.3, 8, 12-14, 18-20 Venter and co-workers have classified ambient ionization techniques into three major categories based on the sample processing steps involved: 1) liquid extraction techniques, in which analyte molecules are removed from the sample and extracted into a solvent prior to ionization; 2) desorption techniques capable of generating free ions directly from substrates; and 3) desorption techniques that produce larger particles subsequently captured by an electrospray plume and ionized.17 This review focuses on localized analysis and ambient imaging of complex samples using a subset of ambient ionization methods broadly defined as “liquid extraction techniques” based on the classification introduced by Venter and co-workers.17 Specifically, we include techniques where analyte molecules are desorbed from solid or liquid samples using charged droplet bombardment, liquid extraction, physisorption, chemisorption, mechanical force, laser ablation, or laser capture microdissection. Analyte extraction is followed by soft ionization that generates ions corresponding to intact species. Some of the key advantages of liquid extraction techniques include the ease of operation, ability to analyze samples in their native environments, speed of analysis, and ability to tune the extraction solvent composition to a problem at hand. For example, solvent composition may be optimized for efficient extraction of different classes of analytes from the sample or for quantification or online derivatization through reactive analysis. In this review, we will: 1) introduce individual liquid extraction techniques capable of localized analysis and imaging, 2) describe approaches for quantitative MSI experiments free of matrix effects, 3) discuss advantages of reactive analysis for MSI experiments, and 4) highlight selected applications (published between 2012 and 2015) that focus on imaging and spatial profiling of molecules in complex biological and environmental samples.« less

Direct analysis of samples under ambient condition by high-voltage-assisted laser desorption ionization mass spectrometry in both positive and negative ion mode.

PubMed

Ren, Xinxin; Liu, Jia; Zhang, Chengsen; Luo, Hai

2013-03-15

With the rapid development of ambient mass spectrometry, the hybrid laser-based ambient ionization methods which can generate multiply charged ions of large biomolecules and also characterize small molecules with good signal-to-noise in both positive and negative ion modes are of particular interest. An ambient ionization method termed high-voltage-assisted laser desorption ionization (HALDI) is developed, in which a 1064 nm laser is used to desorb various liquid samples from the sample target biased at a high potential without the need for an organic matrix. The pre-charged liquid samples are desorbed by the laser to form small charged droplets which may undergo an electrospray-like ionization process to produce multiply charged ions of large biomolecules. Various samples including proteins, oligonucleotides (ODNs), drugs, whole milk and chicken eggs have been analyzed by HALDI-MS in both positive and negative ion mode with little or no sample preparation. In addition, HALDI can generate intense signals with better signal-to-noise in negative ion mode than laser desorption spay post-ionization (LDSPI) from the same samples, such as ODNs and some carboxylic-group-containing small drug molecules. HALDI-MS can directly analyze a variety of liquid samples including proteins, ODNs, pharmaceuticals and biological fluids in both positive and negative ion mode without the use of an organic matrix. This technique may be further developed into a useful tool for rapid analysis in many different fields such as pharmaceutical, food, and biological sciences. Copyright © 2013 John Wiley & Sons, Ltd.

Determination of T-2 and HT-2 toxins from maize by direct analysis in real time - mass spectrometry (DART-MS)

USDA-ARS?s Scientific Manuscript database

Ambient desorption ionization techniques, such as laser desorption with electrospray ionization assistance (ELDI), direct analysis in real time (DART) and desorption electrospray ionization (DESI) have been developed as alternatives to traditional mass spectrometric-based methods. Such techniques al...

Correlated electronic decay in expanding clusters triggered by intense XUV pulses from a Free-Electron-Laser

PubMed Central

Oelze, Tim; Schütte, Bernd; Müller, Maria; Müller, Jan P.; Wieland, Marek; Frühling, Ulrike; Drescher, Markus; Al-Shemmary, Alaa; Golz, Torsten; Stojanovic, Nikola; Krikunova, Maria

2017-01-01

Irradiation of nanoscale clusters and large molecules with intense laser pulses transforms them into highly-excited non- equilibrium states. The dynamics of intense laser-cluster interaction is encoded in electron kinetic energy spectra, which contain signatures of direct photoelectron emission as well as emission of thermalized nanoplasma electrons. In this work we report on a so far not observed spectrally narrow bound state signature in the electron kinetic energy spectra from mixed Xe core - Ar shell clusters ionized by intense extreme-ultraviolet (XUV) pulses from a free-electron-laser. This signature is attributed to the correlated electronic decay (CED) process, in which an excited atom relaxes and the excess energy is used to ionize the same or another excited atom or a nanoplasma electron. By applying the terahertz field streaking principle we demonstrate that CED-electrons are emitted at least a few picoseconds after the ionizing XUV pulse has ended. Following the recent finding of CED in clusters ionized by intense near-infrared laser pulses, our observation of CED in the XUV range suggests that this process is of general relevance for the relaxation dynamics in laser produced nanoplasmas. PMID:28098175

Quantitation of Mycotoxins Using Direct Analysis in Real Time Mass Spectrometry (DART-MS).

PubMed

Busman, Mark

2018-05-01

Ambient ionization represents a new generation of MS ion sources and is used for the rapid ionization of small molecules under ambient conditions. The combination of ambient ionization and MS allows the analysis of multiple food samples with simple or no sample treatment or in conjunction with prevailing sample preparation methods. Two ambient ionization methods, desorptive electrospray ionization (DESI) and direct analysis in real time (DART) have been adapted for food safety application. Both ionization techniques provide unique advantages and capabilities. DART has been used for a variety of qualitative and quantitative applications. In particular, mycotoxin contamination of food and feed materials has been addressed by DART-MS. Applications to mycotoxin analysis by ambient ionization MS and particularly DART-MS are summarized.

Direct Analysis of Large Living Organism by Megavolt Electrostatic Ionization Mass Spectrometry

NASA Astrophysics Data System (ADS)

Ng, Kwan-Ming; Tang, Ho-Wai; Man, Sin-Heng; Mak, Pui-Yuk; Choi, Yi-Ching; Wong, Melody Yee-Man

2014-09-01

A new ambient ionization method allowing the direct chemical analysis of living human body by mass spectrometry (MS) was developed. This MS method, namely Megavolt Electrostatic Ionization Mass Spectrometry, is based on electrostatic charging of a living individual to megavolt (MV) potential, illicit drugs, and explosives on skin/glove, flammable solvent on cloth/tissue paper, and volatile food substances in breath were readily ionized and detected by a mass spectrometer.

Direct analysis of large living organism by megavolt electrostatic ionization mass spectrometry.

PubMed

Ng, Kwan-Ming; Tang, Ho-Wai; Man, Sin-Heng; Mak, Pui-Yuk; Choi, Yi-Ching; Wong, Melody Yee-Man

2014-09-01

A new ambient ionization method allowing the direct chemical analysis of living human body by mass spectrometry (MS) was developed. This MS method, namely Megavolt Electrostatic Ionization Mass Spectrometry, is based on electrostatic charging of a living individual to megavolt (MV) potential, illicit drugs, and explosives on skin/glove, flammable solvent on cloth/tissue paper, and volatile food substances in breath were readily ionized and detected by a mass spectrometer.

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.

Relativistic features and time delay of laser-induced tunnel ionization

NASA Astrophysics Data System (ADS)

Yakaboylu, Enderalp; Klaiber, Michael; Bauke, Heiko; Hatsagortsyan, Karen Z.; Keitel, Christoph H.

2013-12-01

The electron dynamics in the classically forbidden region during relativistic tunnel ionization is investigated. The classical forbidden region in the relativistic regime is identified by defining a gauge-invariant total-energy operator. Introducing position-dependent energy levels inside the tunneling barrier, we demonstrate that the relativistic tunnel ionization can be well described by a one-dimensional intuitive picture. This picture predicts that, in contrast to the well-known nonrelativistic regime, the ionized electron wave packet arises with a momentum shift along the laser's propagation direction. This is compatible with results from a strong-field approximation calculation where the binding potential is assumed to be zero ranged. Further, the tunneling time delay, stemming from Wigner's definition, is investigated for model configurations of tunneling and compared with results obtained from the exact propagator. By adapting Wigner's time delay definition to the ionization process, the tunneling time is investigated in the deep-tunneling and in the near-threshold-tunneling regimes. It is shown that while in the deep-tunneling regime signatures of the tunneling time delay are not measurable at remote distance, they are detectable, however, in the latter regime.

Emerging and Future Applications of Matrix-Assisted Laser Desorption Ionization Time-of-Flight (MALDI-TOF) Mass Spectrometry in the Clinical Microbiology Laboratory: A Report of the Association for Molecular Pathology.

PubMed

Doern, Christopher D; Butler-Wu, Susan M

2016-11-01

The performance of matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MS) for routine bacterial and yeast identification as well as direct-from-blood culture bottle identification has been thoroughly evaluated in the peer-reviewed literature. Microbiologists are now moving beyond these methods to apply MS to other areas of the diagnostic process. This review discusses the emergence of advanced matrix-assisted laser desorption ionization time-of-flight MS applications, including the identification of filamentous fungi and mycobacteria and the current and future state of antimicrobial resistance testing. Copyright © 2016 American Society for Investigative Pathology and the Association for Molecular Pathology. Published by Elsevier Inc. All rights reserved.

Improvement in ionization efficiency of direct analysis in real time-mass spectrometry (DART-MS) by corona discharge.

PubMed

Sekimoto, Kanako; Sakakura, Motoshi; Kawamukai, Takatomo; Hike, Hiroshi; Shiota, Teruhisa; Usui, Fumihiko; Bando, Yasuhiko; Takayama, Mitsuo

2016-08-02

Herein it is shown that a combination of direct analysis in real time (DART) with a corona discharge system consisting of only a needle electrode easily improves DART ionization efficiency. Positive and negative DC corona discharges led to a formation of abundant excited helium atoms as well as the reactant ions H3O(+)(H2O)n and O2˙(-) in the DART analyte ionization area. These phenomena resulted in an increase in the absolute intensities of (de)protonated analytes by a factor of 2-20 over conventional DART. The other analyte ions detected in this corona-DART system (i.e., molecular ions, fragment ions, oxygenated (de)protonated analytes, dehydrogenated deprotonated analytes, and negative ion adducts) were quite similar to those obtained from DART alone. This indicates a lack of side reactions due to the corona discharge. The change in the relative intensities of individual analyte-related ions due to the combination of a corona discharge system with DART suggests that there is no effect of the abundant excited helium in the analyte ionization area on the fragmentation processes or enhancement of oxidation due to hydroxyl radicals HO˙. Furthermore, it was found that the corona-DART combination can be applied to the highly sensitive analysis of n-alkanes, in which the alkanes are ionized as positive ions via hydride abstraction and oxidation, independent of the type of alkane or the mass spectrometer used.

Magnetospheric disturbance effects on the Equatorial Ionization Anomaly (EIA) - An overview

NASA Astrophysics Data System (ADS)

Abdu, M. A.; Sobral, J. H. A.; de Paula, E. R.; Batista, I. S.

1991-08-01

The EIA response to magnetospheric disturbance processes is reviewed. It is concluded that the direct penetration to equatorial latitudes of magnetospheric electric fields and the thermospheric disturbances involving winds, electric fields, and composition changes produce significant alteration in the EIA morphology and dynamics.

Laser stripping of hydrogen atoms by direct ionization

DOE PAGES

Brunetti, E.; Becker, W.; Bryant, H. C.; ...

2015-05-08

Direct ionization of hydrogen atoms by laser irradiation is investigated as a potential new scheme to generate proton beams without stripping foils. The time-dependent Schrödinger equation describing the atom-radiation interaction is numerically solved obtaining accurate ionization cross-sections for a broad range of laser wavelengths, durations and energies. Parameters are identified where the Doppler frequency up-shift of radiation colliding with relativistic particles can lead to efficient ionization over large volumes and broad bandwidths using currently available lasers.

Laser stripping of hydrogen atoms by direct ionization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brunetti, E.; Becker, W.; Bryant, H. C.

Direct ionization of hydrogen atoms by laser irradiation is investigated as a potential new scheme to generate proton beams without stripping foils. The time-dependent Schrödinger equation describing the atom-radiation interaction is numerically solved obtaining accurate ionization cross-sections for a broad range of laser wavelengths, durations and energies. Parameters are identified where the Doppler frequency up-shift of radiation colliding with relativistic particles can lead to efficient ionization over large volumes and broad bandwidths using currently available lasers.

Effect of the dynamic core-electron polarization of CO molecules on high-order harmonic generation

NASA Astrophysics Data System (ADS)

Le, Cam-Tu; Hoang, Van-Hung; Tran, Lan-Phuong; Le, Van-Hoang

2018-04-01

We theoretically investigate the influence of dynamic core-electron polarization (DCeP) of CO molecules on high-order harmonic generation (HHG) by solving the time-dependent Schrödinger equation (TDSE) within the single-active-electron (SAE) approximation. The effect of DCeP is shown to depend strongly on the molecular orientation angle θ . Particularly, compared to the calculations without DCeP, the inclusion of this effect gives rise to an enhancement of harmonic intensity at θ =0° when the electric field aligns along the O-C direction and to a suppression at θ =180° when the field heads in the opposite direction. Meanwhile, when the electric field is perpendicular to the molecular axis, the effect is almost insignificant. The phenomenon is thought to be linked to the ionization process. However, this picture is not completed yet. By solving the TDSE within the SAE approximation and conducting a classical simulation, we are able to obtain the ionization probability as well as the ionization rate and prove that HHG, in fact, receives a major contribution from electrons ionized at only a certain time interval, rather than throughout the whole pulse propagation. Including DCeP, the variation of the ionization rate in this interval highly correlates to that of the HHG intensity. To better demonstrate the origin of this manifestation, we also show the alternation DCeP makes on the effective potential that corresponds to the observed change in the ionization rate and consequently the HHG intensity. Our results confirm previous studies' observations and, more importantly, provide the missing physical explanation. With the role of DCeP now better understood for the entire range of the orientation angle, this effect can be handled more conveniently for calculating the HHG of other targets.

Ultrafast laser-induced modifications of energy bands of non-metal crystals

NASA Astrophysics Data System (ADS)

Gruzdev, Vitaly

2009-10-01

Ultrafast laser-induced variations of electron energy bands of transparent solids significantly influence ionization and conduction-band electron absorption driving the initial stage of laser-induced damage (LID). The mechanisms of the variations are attributed to changing electron functions from bonding to anti-bonding configuration via laser-induced ionization; laser-driven electron oscillations in quasi-momentum space; and direct distortion of the inter-atomic potential by electric field of laser radiation. The ionization results in the band-structure modification via accumulation of broken chemical bonds between atoms and provides significant contribution to the overall modification only when enough excited electrons are accumulated in the conduction band. The oscillations are associated with modification of electron energy by pondermotive potential of the oscillations. The direct action of radiation's electric field leads to specific high-frequency Franz-Keldysh effect (FKE) spreading the allowed electron states into the bands of forbidden energy. Those processes determine the effective band gap that is a laser-driven energy gap between the modified electron energy bands. Among those mechanisms, the latter two provide reversible band-structure modification that takes place from the beginning of the ionization and are, therefore, of special interest due to their strong influence on the initial stage of the ionization. The pondermotive potential results either in monotonous increase or oscillatory variations of the effective band gap that has been taken into account in some ionization models. The classical FKE provides decrease of the band gap. We analyzing the competition between those two opposite trends of the effective-band-gap variations and discuss applications of those effects for considerations of the laser-induced damage and its threshold in transparent solids.

Proteomic Analysis of Trypanosoma cruzi Response to Ionizing Radiation Stress

PubMed Central

Vieira, Helaine Graziele Santos; Grynberg, Priscila; Bitar, Mainá; Pires, Simone da Fonseca; Hilário, Heron Oliveira; Macedo, Andrea Mara; Machado, Carlos Renato; de Andrade, Hélida Monteiro; Franco, Glória Regina

2014-01-01

Trypanosoma cruzi, the causative agent of Chagas disease, is extremely resistant to ionizing radiation, enduring up to 1.5 kGy of gamma rays. Ionizing radiation can damage the DNA molecule both directly, resulting in double-strand breaks, and indirectly, as a consequence of reactive oxygen species production. After a dose of 500 Gy of gamma rays, the parasite genome is fragmented, but the chromosomal bands are restored within 48 hours. Under such conditions, cell growth arrests for up to 120 hours and the parasites resume normal growth after this period. To better understand the parasite response to ionizing radiation, we analyzed the proteome of irradiated (4, 24, and 96 hours after irradiation) and non-irradiated T. cruzi using two-dimensional differential gel electrophoresis followed by mass spectrometry for protein identification. A total of 543 spots were found to be differentially expressed, from which 215 were identified. These identified protein spots represent different isoforms of only 53 proteins. We observed a tendency for overexpression of proteins with molecular weights below predicted, indicating that these may be processed, yielding shorter polypeptides. The presence of shorter protein isoforms after irradiation suggests the occurrence of post-translational modifications and/or processing in response to gamma radiation stress. Our results also indicate that active translation is essential for the recovery of parasites from ionizing radiation damage. This study therefore reveals the peculiar response of T. cruzi to ionizing radiation, raising questions about how this organism can change its protein expression to survive such a harmful stress. PMID:24842666

Interatomic Coulombic decay cascades in multiply excited neon clusters

PubMed Central

Nagaya, K.; Iablonskyi, D.; Golubev, N. V.; Matsunami, K.; Fukuzawa, H.; Motomura, K.; Nishiyama, T.; Sakai, T.; Tachibana, T.; Mondal, S.; Wada, S.; Prince, K. C.; Callegari, C.; Miron, C.; Saito, N.; Yabashi, M.; Demekhin, Ph. V.; Cederbaum, L. S.; Kuleff, A. I.; Yao, M.; Ueda, K.

2016-01-01

In high-intensity laser light, matter can be ionized by direct multiphoton absorption even at photon energies below the ionization threshold. However on tuning the laser to the lowest resonant transition, the system becomes multiply excited, and more efficient, indirect ionization pathways become operative. These mechanisms are known as interatomic Coulombic decay (ICD), where one of the species de-excites to its ground state, transferring its energy to ionize another excited species. Here we show that on tuning to a higher resonant transition, a previously unknown type of interatomic Coulombic decay, intra-Rydberg ICD occurs. In it, de-excitation of an atom to a close-lying Rydberg state leads to electron emission from another neighbouring Rydberg atom. Moreover, systems multiply excited to higher Rydberg states will decay by a cascade of such processes, producing even more ions. The intra-Rydberg ICD and cascades are expected to be ubiquitous in weakly-bound systems exposed to high-intensity resonant radiation. PMID:27917867

Examination of the skin barrier repair/wound healing process using a living skin equivalent model and matrix-assisted laser desorption-ionization-mass spectrometry imaging.

PubMed

Lewis, E E L; Barrett, M R T; Freeman-Parry, L; Bojar, R A; Clench, M R

2018-04-01

Examination of the skin barrier repair/wound healing process using a living skin equivalent (LSE) model and matrix-assisted laser desorption/ionization-mass spectrometry imaging (MALDI-MSI) to identify lipids directly involved as potential biomarkers. These biomarkers may be used to determine whether an in vivo wound is going to heal for example if infected. An in vitro LSE model was wounded with a scalpel blade and assessed at day 4 post-wounding by histology and MALDI-MSI. Samples were sectioned at wound site and were either formalin-fixed paraffin-embedded (FFPE) for histology or snapped frozen (FF) for MSI analysis. The combination of using an in vitro wounded skin model with MSI allowed the identification of lipids involved in the skin barrier repair/wound healing process. The technique was able to highlight lipids directly in the wound site and distinguish differences in lipid distribution between the epidermis and wound site. This novel method of coupling an in vitro LSE with MSI allowed in-depth molecular analysis of the skin barrier repair/wound healing process. The technique allowed the identification of lipids directly involved in the skin barrier repair/wound healing process, indicating these biomarkers may be potentially be used within the clinic. These biomarkers will help to determine, which stage of the skin barrier repair/wound healing process the wound is in to provide the best treatment. © 2018 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

A review of quantitative structure-property relationships for the fate of ionizable organic chemicals in water matrices and identification of knowledge gaps.

PubMed

Nolte, Tom M; Ragas, Ad M J

2017-03-22

Many organic chemicals are ionizable by nature. After use and release into the environment, various fate processes determine their concentrations, and hence exposure to aquatic organisms. In the absence of suitable data, such fate processes can be estimated using Quantitative Structure-Property Relationships (QSPRs). In this review we compiled available QSPRs from the open literature and assessed their applicability towards ionizable organic chemicals. Using quantitative and qualitative criteria we selected the 'best' QSPRs for sorption, (a)biotic degradation, and bioconcentration. The results indicate that many suitable QSPRs exist, but some critical knowledge gaps remain. Specifically, future focus should be directed towards the development of QSPR models for biodegradation in wastewater and sediment systems, direct photolysis and reaction with singlet oxygen, as well as additional reactive intermediates. Adequate QSPRs for bioconcentration in fish exist, but more accurate assessments can be achieved using pharmacologically based toxicokinetic (PBTK) models. No adequate QSPRs exist for bioconcentration in non-fish species. Due to the high variability of chemical and biological species as well as environmental conditions in QSPR datasets, accurate predictions for specific systems and inter-dataset conversions are problematic, for which standardization is needed. For all QSPR endpoints, additional data requirements involve supplementing the current chemical space covered and accurately characterizing the test systems used.

Time-frequency representation of autoionization dynamics in helium

NASA Astrophysics Data System (ADS)

Busto, D.; Barreau, L.; Isinger, M.; Turconi, M.; Alexandridi, C.; Harth, A.; Zhong, S.; Squibb, R. J.; Kroon, D.; Plogmaker, S.; Miranda, M.; Jiménez-Galán, Á.; Argenti, L.; Arnold, C. L.; Feifel, R.; Martín, F.; Gisselbrecht, M.; L'Huillier, A.; Salières, P.

2018-02-01

Autoionization, which results from the interference between direct photoionization and photoexcitation to a discrete state decaying to the continuum by configuration interaction, is a well known example of the important role of electron correlation in light-matter interaction. Information on this process can be obtained by studying the spectral, or equivalently, temporal complex amplitude of the ionized electron wave packet. Using an energy-resolved interferometric technique, we measure the spectral amplitude and phase of autoionized wave packets emitted via the sp2+ and sp3+ resonances in helium. These measurements allow us to reconstruct the corresponding temporal profiles by Fourier transform. In addition, applying various time-frequency representations, we observe the build-up of the wave packets in the continuum, monitor the instantaneous frequencies emitted at any time and disentangle the dynamics of the direct and resonant ionization channels.

Measurement of laser activated electron tunneling from semiconductor zinc oxide to adsorbed organic molecules by a matrix assisted laser desorption ionization mass spectrometer.

PubMed

Zhong, Hongying; Fu, Jieying; Wang, Xiaoli; Zheng, Shi

2012-06-04

Measurement of light induced heterogeneous electron transfer is important for understanding of fundamental processes involved in chemistry, physics and biology, which is still challenging by current techniques. Laser activated electron tunneling (LAET) from semiconductor metal oxides was observed and characterized by a MALDI (matrix assisted laser desorption ionization) mass spectrometer in this work. Nanoparticles of ZnO were placed on a MALDI sample plate. Free fatty acids and derivatives were used as models of organic compounds and directly deposited on the surface of ZnO nanoparticles. Irradiation of UV laser (λ=355 nm) with energy more than the band gap of ZnO produces ions that can be detected in negative mode. When TiO(2) nanoparticles with similar band gap but much lower electron mobility were used, these ions were not observed unless the voltage on the sample plate was increased. The experimental results indicate that laser induced electron tunneling is dependent on the electron mobility and the strength of the electric field. Capture of low energy electrons by charge-deficient atoms of adsorbed organic molecules causes unpaired electron-directed cleavages of chemical bonds in a nonergodic pathway. In positive detection mode, electron tunneling cannot be observed due to the reverse moving direction of electrons. It should be able to expect that laser desorption ionization mass spectrometry is a new technique capable of probing the dynamics of electron tunneling. LAET offers advantages as a new ionization dissociation method for mass spectrometry. Copyright © 2012 Elsevier B.V. All rights reserved.

VUV photodynamics of free tholins nanoparticles investigated by imaging Angle-Resolved Photoemission with the Synchrotron Radiation

NASA Astrophysics Data System (ADS)

Tigrine, Sarah; Nahon, Laurent; Carrasco, Nathalie; Garcia-Macias, Gustavo

2016-06-01

Thanks to the Cassini Huygens mission, it is now established that the aerosols appear from an altitude of 1,000 km in Titan's atmosphere. Once they are formed and through their descent towards the surface, those grains will still interact with persistent UV/VUV radiations, at different energies, that can reach lower atmospheric layers. This interaction has some impact, for example on the radiative transfer or on the ionization yield of the atmospheric compounds. Models are a good way to study those processes, but the lack of data on the refractive index or the absolute absorption/ionization cross subsections of the aerosols can be an obstacle. In order to shed some light and quantify those processes, we ionize analogs of aerosols produced with the PAMPRE experiment (LATMOS) on the SAPHIRS platform from the DESIRS VUV beamline at the synchrotron SOLEIL, equipped with an aerodynamic lens. The aerosols are injected directly under vacuum as isolated free nanoparticles and do not need to take the form of a film deposited on a substrate. The generated photoelectrons are then collected with a Velocity Map Imaging detector and their energetic and angular signatures are analyzed using the ARPES method (Angle-Resolved PhotoElectron Spectroscopy). Both the nanoparticles size distribution and the incident wavelength determine the parameters governing the photoemission process (intra-particles electron mean free path, photon penetration depth) as revealed by the angular distribution of the photoelectron showing in same cases a marked forward/backward asymmetry with respect to the photon axis. Those parameters may provide us with information on the optical behavior of the aerosols. In addition we can extract the ionization potential in direct connection with the absorption cross subsections of the aerosol, from which altitude dependent photodynamics can be unraveled. We will present here the experiments performed, at different VUV energies, on Titan's aerosol analogs with the ARPES method and show how the first results can have implications regarding Titan's atmosphere overall optical characteristics.

On plate graphite supported sample processing for simultaneous lipid and protein identification by matrix assisted laser desorption ionization mass spectrometry.

PubMed

Calvano, Cosima Damiana; van der Werf, Inez Dorothé; Sabbatini, Luigia; Palmisano, Francesco

2015-05-01

The simultaneous identification of lipids and proteins by matrix assisted laser desorption ionization-mass spectrometry (MALDI-MS) after direct on-plate processing of micro-samples supported on colloidal graphite is demonstrated. Taking advantages of large surface area and thermal conductivity, graphite provided an ideal substrate for on-plate proteolysis and lipid extraction. Indeed proteins could be efficiently digested on-plate within 15 min, providing sequence coverages comparable to those obtained by conventional in-solution overnight digestion. Interestingly, detection of hydrophilic phosphorylated peptides could be easily achieved without any further enrichment step. Furthermore, lipids could be simultaneously extracted/identified without any additional treatment/processing step as demonstrated for model complex samples such as milk and egg. The present approach is simple, efficient, of large applicability and offers great promise for protein and lipid identification in very small samples. Copyright © 2015 Elsevier B.V. All rights reserved.

CF3+ fragmentation by electron impact ionization of perfluoro-propyl-vinyl-ethers, C5F10O, in gas phase

NASA Astrophysics Data System (ADS)

Kondo, Yusuke; Ishikawa, Kenji; Hayashi, Toshio; Miyawaki, Yudai; Takeda, Keigo; Kondo, Hiroki; Sekine, Makoto; Hori, Masaru

2015-04-01

The gas phase fragmentations of perfluoro-propyl-vinyl ether (PPVE, C5F10O) are studied experimentally. Dominant fragmentations of PPVE are found to be the result of a dissociative ionization reaction, i.e., CF3+ via direct bond cleavage, and C2F3O- and C3F7O- via electron attachment. Regardless of the appearance energy of around 14.5 eV for the dissociative ionization of CF3+, the observed ion efficiency for the CF3+ ion was extremely large the order of 10-20 cm-2, compared with only 10-21 cm-2 for the other channels. PPVE characteristically generated CF3+ as the largest abundant ion are advantageous for use of feedstock gases in plasma etching processes.

Freeze-drying process monitoring using a cold plasma ionization device.

PubMed

Mayeresse, Y; Veillon, R; Sibille, P H; Nomine, C

2007-01-01

A cold plasma ionization device has been designed to monitor freeze-drying processes in situ by monitoring lyophilization chamber moisture content. This plasma device, which consists of a probe that can be mounted directly on the lyophilization chamber, depends upon the ionization of nitrogen and water molecules using a radiofrequency generator and spectrometric signal collection. The study performed on this probe shows that it is steam sterilizable, simple to integrate, reproducible, and sensitive. The limitations include suitable positioning in the lyophilization chamber, calibration, and signal integration. Sensitivity was evaluated in relation to the quantity of vials and the probe positioning, and correlation with existing methods, such as microbalance, was established. These tests verified signal reproducibility through three freeze-drying cycles. Scaling-up studies demonstrated a similar product signature for the same product using pilot-scale and larger-scale equipment. On an industrial scale, the method efficiently monitored the freeze-drying cycle, but in a larger industrial freeze-dryer the signal was slightly modified. This was mainly due to the positioning of the plasma device, in relation to the vapor flow pathway, which is not necessarily homogeneous within the freeze-drying chamber. The plasma tool is a relevant method for monitoring freeze-drying processes and may in the future allow the verification of current thermodynamic freeze-drying models. This plasma technique may ultimately represent a process analytical technology (PAT) approach for the freeze-drying process.

Top-down synthesized TiO2 nanowires as a solid matrix for surface-assisted laser desorption/ionization time-of-flight (SALDI-TOF) mass spectrometry.

PubMed

Kim, Jo-Il; Park, Jong-Min; Hwang, Seung-Ju; Kang, Min-Jung; Pyun, Jae-Chul

2014-07-11

Top-down synthesized TiO2 nanowires are presented as an ideal solid matrix to analyze small biomolecules at a m/z of less than 500. The TiO2 nanowires were synthesized as arrays using a modified hydrothermal process directly on the surface of a Ti plate. Finally, the feasibility of the TiO2 nanowires in the anatase phase as a solid matrix. The crystal and electronic structures of the top-down TiO2 nanowires were analyzed at each step of the hydrothermal process, and the optimal TiO2 nanowires were identified by checking their performance toward the ionization of analytes in surface-assisted laser desorption/ionization time-of-flight (SALDI-TOF) mass spectrometry. Finally, the feasibility of the TiO2 nanowires in the anatase phase as a solid matrix for SALDI-TOF mass spectrometry was demonstrated using eight types of amino acids and peptides as model analytes. Copyright © 2014 Elsevier B.V. All rights reserved.

Unraveling nonadiabatic ionization and Coulomb potential effect in strong-field photoelectron holography.

PubMed

Song, Xiaohong; Lin, Cheng; Sheng, Zhihao; Liu, Peng; Chen, Zhangjin; Yang, Weifeng; Hu, Shilin; Lin, C D; Chen, Jing

2016-06-22

Strong field photoelectron holography has been proposed as a means for interrogating the spatial and temporal information of electrons and ions in a dynamic system. After ionization, part of the electron wave packet may directly go to the detector (the reference wave), while another part may be driven back and scatters off the ion(the signal wave). The interference hologram of the two waves may be used to extract target information embedded in the collision process. Unlike conventional optical holography, however, propagation of the electron wave packet is affected by the Coulomb potential as well as by the laser field. In addition, electrons are emitted over the whole laser pulse duration, thus multiple interferences may occur. In this work, we used a generalized quantum-trajectory Monte Carlo method to investigate the effect of Coulomb potential and the nonadiabatic subcycle ionization on the photoelectron hologram. We showed that photoelectron hologram can be well described only when the effect of nonadiabatic ionization is accounted for, and Coulomb potential can be neglected only in the tunnel ionization regime. Our results help paving the way for establishing photoelectron holography for probing spatial and dynamic properties of atoms and molecules.

Unraveling nonadiabatic ionization and Coulomb potential effect in strong-field photoelectron holography

PubMed Central

Song, Xiaohong; Lin, Cheng; Sheng, Zhihao; Liu, Peng; Chen, Zhangjin; Yang, Weifeng; Hu, Shilin; Lin, C. D.; Chen, Jing

2016-01-01

Strong field photoelectron holography has been proposed as a means for interrogating the spatial and temporal information of electrons and ions in a dynamic system. After ionization, part of the electron wave packet may directly go to the detector (the reference wave), while another part may be driven back and scatters off the ion(the signal wave). The interference hologram of the two waves may be used to extract target information embedded in the collision process. Unlike conventional optical holography, however, propagation of the electron wave packet is affected by the Coulomb potential as well as by the laser field. In addition, electrons are emitted over the whole laser pulse duration, thus multiple interferences may occur. In this work, we used a generalized quantum-trajectory Monte Carlo method to investigate the effect of Coulomb potential and the nonadiabatic subcycle ionization on the photoelectron hologram. We showed that photoelectron hologram can be well described only when the effect of nonadiabatic ionization is accounted for, and Coulomb potential can be neglected only in the tunnel ionization regime. Our results help paving the way for establishing photoelectron holography for probing spatial and dynamic properties of atoms and molecules. PMID:27329071

Unraveling nonadiabatic ionization and Coulomb potential effect in strong-field photoelectron holography

DOE PAGES

Song, Xiaohong; Lin, Cheng; Sheng, Zhihao; ...

2016-06-22

Strong field photoelectron holography has been proposed as a means for interrogating the spatial and temporal information of electrons and ions in a dynamic system. After ionization, part of the electron wave packet may directly go to the detector (the reference wave), while another part may be driven back and scatters off the ion(the signal wave). The interference hologram of the two waves may be used to extract target information embedded in the collision process. Unlike conventional optical holography, however, propagation of the electron wave packet is affected by the Coulomb potential as well as by the laser field. Inmore » addition, electrons are emitted over the whole laser pulse duration, thus multiple interferences may occur. In this work, we used a generalized quantum-trajectory Monte Carlo method to investigate the effect of Coulomb potential and the nonadiabatic subcycle ionization on the photoelectron hologram. Here, we showed that photoelectron hologram can be well described only when the effect of nonadiabatic ionization is accounted for, and Coulomb potential can be neglected only in the tunnel ionization regime. Our results help paving the way for establishing photoelectron holography for probing spatial and dynamic properties of atoms and molecules.« less

X-ray microprobe of orbital alignment in strong-field ionized atoms.

PubMed

Young, L; Arms, D A; Dufresne, E M; Dunford, R W; Ederer, D L; Höhr, C; Kanter, E P; Krässig, B; Landahl, E C; Peterson, E R; Rudati, J; Santra, R; Southworth, S H

2006-08-25

We have developed a synchrotron-based, time-resolved x-ray microprobe to investigate optical strong-field processes at intermediate intensities (10(14) - 10(15) W/cm2). This quantum-state specific probe has enabled the direct observation of orbital alignment in the residual ion produced by strong-field ionization of krypton atoms via resonant, polarized x-ray absorption. We found strong alignment to persist for a period long compared to the spin-orbit coupling time scale (6.2 fs). The observed degree of alignment can be explained by models that incorporate spin-orbit coupling. The methodology is applicable to a wide range of problems.

Rabi oscillations in extreme ultraviolet ionization of atomic argon

NASA Astrophysics Data System (ADS)

Flögel, Martin; Durá, Judith; Schütte, Bernd; Ivanov, Misha; Rouzée, Arnaud; Vrakking, Marc J. J.

2017-02-01

We demonstrate Rabi oscillations in nonlinear ionization of argon by an intense femtosecond extreme ultraviolet (XUV) laser field produced by high-harmonic generation. We monitor the formation of A r2 + as a function of the time delay between the XUV pulse and an additional near-infrared (NIR) femtosecond laser pulse, and show that the population of an A r+* intermediate resonance exhibits strong modulations both due to an NIR laser-induced Stark shift and XUV-induced Rabi cycling between the ground state of A r+ and the A r+* excited state. Our experiment represents a direct experimental observation of a Rabi-cycling process in the XUV regime.

Double ionization of helium by ion impact: second Born order treatment at the fully differential level

NASA Astrophysics Data System (ADS)

López, S. D.; Otranto, S.; Garibotti, C. R.

2015-01-01

In this work, a theoretical study of the double ionization of He by ion impact at the fully differential level is presented. Emphasis is made in the role played by the projectile in the double emission process depending on its charge and the amount of momentum transferred to the target. A Born-CDW model including a second-order term in the projectile charge is introduced and evaluated within an on-shell treatment. We find that emission geometries for which the second-order term dominates lead to asymmetric structures around the momentum transfer direction, a typical characteristic of higher order transitions.

Small-signal modeling with direct parameter extraction for impact ionization effect in high-electron-mobility transistors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guan, He; Lv, Hongliang; Guo, Hui, E-mail: hguan@stu.xidian.edu.cn

2015-11-21

Impact ionization affects the radio-frequency (RF) behavior of high-electron-mobility transistors (HEMTs), which have narrow-bandgap semiconductor channels, and this necessitates complex parameter extraction procedures for HEMT modeling. In this paper, an enhanced small-signal equivalent circuit model is developed to investigate the impact ionization, and an improved method is presented in detail for direct extraction of intrinsic parameters using two-step measurements in low-frequency and high-frequency regimes. The practicability of the enhanced model and the proposed direct parameter extraction method are verified by comparing the simulated S-parameters with published experimental data from an InAs/AlSb HEMT operating over a wide frequency range. The resultsmore » demonstrate that the enhanced model with optimal intrinsic parameter values that were obtained by the direct extraction approach can effectively characterize the effects of impact ionization on the RF performance of HEMTs.« less

Double Electron Processes in Collisions of Partially Stripped Ions Cq+(q = 1-4) with Helium

NASA Astrophysics Data System (ADS)

Ding, Bao-Wei; Chen, Xi-Meng; Yu, De-Yang; Fu, Hong-Bin; Liu, Zhao-Yuan; Sun, Guang-Zhi; Liu, Yu-Wen; Lu, Yan-Xia; Xie, Jiang-Shan; Du, Juan; Gao, Zhi-Min; Chen, Lin; Cui, Ying; Shao, Jian-Xiong; He, Zi-Feng; Cai, Xiao-Hong

2007-01-01

The multi-electron processes are investigated for 17.9-120 keV/u C1+, 30-323 keV/u C2+, 120-438 keV/u C3+, 287-480 keV/u C4+ incident on a helium target. The cross-section ratios of double electron (DE) process to the total of the single electron (SE) and the double electron process (i.e. SE+DE), the direct double electron (DDI) to the direct single ionization (DSI) as well as the contributions of DDI to DE and of TI to DE are measured using coincidence techniques. The energy and charge state dependences of the measured cross-section ratios are studied and discussed.

Real-time analysis of self-assembled nucleobases by Venturi easy ambient sonic-spray ionization mass spectrometry.

PubMed

Na, Na; Shi, Ruixia; Long, Zi; Lu, Xin; Jiang, Fubin; Ouyang, Jin

2014-10-01

In this study, the real-time analysis of self-assembled nucleobases was employed by Venturi easy ambient sonic-spray ionization mass spectrometry (V-EASI-MS). With the analysis of three nucleobases including 6-methyluracil (6MU), uracil (U) and thymine (T) as examples, different orders of clusters centered with different metal ions were recorded in both positive and negative modes. Compared with the results obtained by traditional electrospray ionization mass spectrometry (ESI-MS) under the same condition, more clusters with high orders, such as [6MU7+Na](+), [6MU15+2NH4](2+), [6MU10+Na](+), [T7+Na](+), and [T15+2NH4](2+) were detected by V-EASI-MS, which demonstrated the soft ionization ability of V-EASI for studying the non-covalent interaction in a self-assembly process. Furthermore, with the injection of K(+) to the system by a syringe pumping, the real-time monitoring of the formation of nucleobases clusters was achieved by the direct extraction of samples from the system under the Venturi effect. Therefore, the effect of cations on the formation of clusters during self-assembly of nucleobases was demonstrated, which was in accordance with the reports. Free of high voltage, heating or radiation during the ionization, this technique is much soft and suitable for obtaining the real-time information of the self-assembly system, which also makes it quite convenient for extraction samples from the reaction system. This "easy and soft" ionization technique has provided a potential pathway for monitoring and controlling the self-assembly processes. Copyright © 2014 Elsevier B.V. All rights reserved.

Ionization Mechanism of Positive-Ion Nitrogen Direct Analysis in Real Time.

PubMed

Song, Liguo; Chuah, Wei Chean; Lu, Xinyi; Remsen, Edward; Bartmess, John E

2018-04-01

Nitrogen can be an inexpensive alternative to helium used by direct analysis in real time (DART), especially in consideration of the looming helium shortage. Therefore, the ionization mechanism of positive-ion N 2 DART has been systematically investigated. Our experiments suggest that a range of metastable nitrogen species with a variety of internal energies existed and all of them were less energetic than metastable helium atoms. However, compounds with ionization energies (IE) equal to or lower than 10.2 eV (all organic compounds except the extremely small ones) can be efficiently ionized. Because N 2 DART was unable to efficiently ionize ambient moisture and common organic solvents such as methanol and acetonitrile, the most important ionization mechanism was direct Penning ionization followed by self-protonation of polar compounds generating [M+H] + ions. On the other hand, N 2 DART was able to efficiently ionize ammonia, which was beneficial in the ionization of hydrogen-bonding compounds with proton affinities (PA) weaker than ammonia generating [M+NH 4 ] + ions and large PAHs generating [M+H] + ions through proton transfer. N 2 DART was also able to efficiently ionize NO, which led to the ionization of nonpolar compounds such as alkanes and small aromatics generating [M-(2m+1)H] + (m=0,1…) ions. Lastly, metastable nitrogen species was also able to produce oxygen atoms, which resulted in increased oxygen adducts as the polarity of organic compounds decreased. In comparison with He DART, N 2 DART was approximately one order of magnitude less sensitive in generating [M+H] + ions, but could be more sensitive in generating [M+NH 4 ] + ions. Graphical Abstract ᅟ.

Ionization Mechanism of Positive-Ion Nitrogen Direct Analysis in Real Time

NASA Astrophysics Data System (ADS)

Song, Liguo; Chuah, Wei Chean; Lu, Xinyi; Remsen, Edward; Bartmess, John E.

2018-02-01

Nitrogen can be an inexpensive alternative to helium used by direct analysis in real time (DART), especially in consideration of the looming helium shortage. Therefore, the ionization mechanism of positive-ion N2 DART has been systematically investigated. Our experiments suggest that a range of metastable nitrogen species with a variety of internal energies existed and all of them were less energetic than metastable helium atoms. However, compounds with ionization energies (IE) equal to or lower than 10.2 eV (all organic compounds except the extremely small ones) can be efficiently ionized. Because N2 DART was unable to efficiently ionize ambient moisture and common organic solvents such as methanol and acetonitrile, the most important ionization mechanism was direct Penning ionization followed by self-protonation of polar compounds generating [M+H]+ ions. On the other hand, N2 DART was able to efficiently ionize ammonia, which was beneficial in the ionization of hydrogen-bonding compounds with proton affinities (PA) weaker than ammonia generating [M+NH4]+ ions and large PAHs generating [M+H]+ ions through proton transfer. N2 DART was also able to efficiently ionize NO, which led to the ionization of nonpolar compounds such as alkanes and small aromatics generating [M-(2m+1)H]+ (m=0,1…) ions. Lastly, metastable nitrogen species was also able to produce oxygen atoms, which resulted in increased oxygen adducts as the polarity of organic compounds decreased. In comparison with He DART, N2 DART was approximately one order of magnitude less sensitive in generating [M+H]+ ions, but could be more sensitive in generating [M+NH4]+ ions. [Figure not available: see fulltext.

Direct characterization of commercial lecithins by easy ambient sonic-spray ionization mass spectrometry.

PubMed

Fernandes, Gabriel D; Alberici, Rosana M; Pereira, Gustavo G; Cabral, Elaine C; Eberlin, Marcos N; Barrera-Arellano, Daniel

2012-12-01

Commercial lecithins are composed mainly of phospholipids and triacylglycerols. The analysis of the commercial lecithins, including their fraction of phospholipids, normally involves laborious and expensive protocols. Easy ambient sonic-spray ionization mass spectrometry (EASI-MS) is shown to be an efficient technique for the analysis of lipids. Samples of commercial lecithins including standards, refined, deoiled and modified soy lecithin were tested. Characteristic profiles of phosphatidylcholines and triacylglycerols are detected by EASI(+)-MS, whereas EASI(-)-MS provided phosphatidylethanolamines, glycophospholipids and free fatty acids profiles. Acetylated lecithins also displayed characteristic acetylated derivatives. EASI-MS data was also compared to MALDI-MS, and found to display richer compositional information. The industrial process applied to lecithin fabrication was also characterised via typical EASI-MS profiles. EASI-MS both in its positive and negative ion modes offers a direct, fast and efficient technique able to characterise commercial lecithin. Copyright © 2012 Elsevier Ltd. All rights reserved.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cha, Sangwon

2008-01-01

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

Irreversible Processes in Ionized Gases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Balescu, R.

1960-01-01

The general theory of irreversible processes, developed by Prigogine and Balescu, is applied to the case of long range interactions in ionized gases. A similar diagram technique permits the systematic selection of all the contributions to the evolution of the distribution function, a an order of approximation equivalent to Debye's equilibrium theory. The infinite series which appear in this way can be summed exactly. The resulting evolution equations have a clear physical significance: they describe interactions of "quasi particles," which are electrons or ions "dressed" by their polarization clouds. These clouds are not a permanent feature, as in equilibrium theory,more » but have a nonequilibrium, changing shape, distorted by the motions of the particles. From the mathematical point of view, these equations exhibit a new type of nonlinearity, which is very directly related to the collective nature of the interactions.« less

Direct olive oil analysis by mass spectrometry: A comparison of different ambient ionization methods.

PubMed

Lara-Ortega, Felipe J; Beneito-Cambra, Miriam; Robles-Molina, José; García-Reyes, Juan F; Gilbert-López, Bienvenida; Molina-Díaz, Antonio

2018-04-01

Analytical methods based on ambient ionization mass spectrometry (AIMS) combine the classic outstanding performance of mass spectrometry in terms of sensitivity and selectivity along with convenient features related to the lack of sample workup required. In this work, the performance of different mass spectrometry-based methods has been assessed for the direct analyses of virgin olive oil for quality purposes. Two sets of experiments have been setup: (1) direct analysis of untreated olive oil using AIMS methods such as Low-Temperature Plasma Mass Spectrometry (LTP-MS) or paper spray mass spectrometry (PS-MS); or alternatively (2) the use of atmospheric pressure ionization (API) mass spectrometry by direct infusion of a diluted sample through either atmospheric pressure chemical ionization (APCI) or electrospray (ESI) ionization sources. The second strategy involved a minimum sample work-up consisting of a simple olive oil dilution (from 1:10 to 1:1000) with appropriate solvents, which originated critical carry over effects in ESI, making unreliable its use in routine; thus, ESI required the use of a liquid-liquid extraction to shift the measurement towards a specific part of the composition of the edible oil (i.e. polyphenol rich fraction or lipid/fatty acid profile). On the other hand, LTP-MS enabled direct undiluted mass analysis of olive oil. The use of PS-MS provided additional advantages such as an extended ionization coverage/molecular weight range (compared to LTP-MS) and the possibility to increase the ionization efficiency towards nonpolar compounds such as squalene through the formation of Ag + adducts with carbon-carbon double bounds, an attractive feature to discriminate between oils with different degree of unsaturation. Copyright © 2017 Elsevier B.V. All rights reserved.

Creating space plasma from the ground

NASA Astrophysics Data System (ADS)

Carlson, H. C.; Djuth, F. T.; Zhang, L. D.

2017-01-01

We have performed an experiment to compare as directly as realizable the ionization production rate by HF radio wave energy versus by solar EUV. We take advantage of the commonality that ionization production by both ground-based high-power HF radio waves and by solar EUV is driven by primary and secondary suprathermal electrons near and above 20 eV. Incoherent scatter radar (ISR) plasma-line amplitudes are used as a measure of suprathermal electron fluxes for ISR wavelengths near those for 430 MHz and are indeed a clean measure of such for those fluxes sufficiently weak to have negligible self-damping. We present data from an HF heating experiment on November 2015 at Arecibo, which even more directly confirm the only prior midlatitude estimate, of order 10% efficiency for conversion of HF energy to ionospheric ionization. We note the theoretical maximum possible is 1/3, while 1% or less reduces the question to near practical irrelevance. Our measurements explicitly confirm the prediction that radio-frequency production of artificial ionospheres can be practicable, even at midlatitudes. Furthermore, that this midlatitude efficiency is comparable to efficiencies measured at high latitudes (which include enhancements unique to high latitudes including magnetic zenith effect, gyrofrequency multiples, and double resonances) requires reexamination of current theoretical thinking about soft-electron acceleration processes in weakly magnetized plasmas. The implications are that electron acceleration by any of a variety of processes may be a fundamental underpinning to energy redistribution in space plasmas.

Radioresistance of GGG Sequences to Prompt Strand Break Formation from Direct-Type Radiation Damage

PubMed Central

Black, Paul J.; Miller, Adam S.; Hayes, Jeffrey J.

2016-01-01

Purpose As humans, we are constantly exposed to ionizing radiation from natural, man-made and cosmic sources which can damage DNA, leading to deleterious effects including cancer incidence. In this work we introduce a method to monitor strand breaks resulting from damage due to the direct effect of ionizing radiation and provide evidence for sequence-dependent effects leading to strand breaks. Materials and methods To analyze only DNA strand breaks caused by radiation damage due to the direct effect of ionizing radiation, we combined an established technique to generate dehydrated DNA samples with a technique to analyze single strand breaks on short oligonucleotide sequences via denaturing gel electrophoresis. Results We find that direct damage primarily results in a reduced number of strand breaks in guanine triplet regions (GGG) when compared to isolated guanine (G) bases with identical flanking base context. In addition, we observe strand break behavior possibly indicative of protection of guanine bases when flanked by pyrimidines, and sensitization of guanine to strand break when flanked by adenine (A) bases in both isolated G and GGG cases. Conclusions These observations provide insight into the strand break behavior in GGG regions damaged via the direct effect of ionizing radiation. In addition, this could be indicative of DNA sequences that are naturally more susceptible to strand break due to the direct effect of ionizing radiation. PMID:27349757

Occupational Exposure to Ionizing Radiation for Crews of Suborbital Spacecraft: Questions and Answers

DTIC Science & Technology

2013-12-01

the Van Allen belts to be of concern. Ionizing radiation consists of subatomic particles that, on interacting with an atom, can cause the atom to...What is ionizing radiation? Ionizing radiation refers to subatomic particles that, on interacting with an atom, can directly or indirectly cause the

Carbon Nanotube Fiber Ionization Mass Spectrometry: A Fundamental Study of a Multi-Walled Carbon Nanotube Functionalized Corona Discharge Pin for Polycyclic Aromatic Hydrocarbons Analysis.

PubMed

Nahan, Keaton S; Alvarez, Noe; Shanov, Vesselin; Vonderheide, Anne

2017-11-01

Mass spectrometry continues to tackle many complicated tasks, and ongoing research seeks to simplify its instrumentation as well as sampling. The desorption electrospray ionization (DESI) source was the first ambient ionization source to function without extensive gas requirements and chromatography. Electrospray techniques generally have low efficiency for ionization of nonpolar analytes and some researchers have resorted to methods such as direct analysis in real time (DART) or desorption atmospheric pressure chemical ionization (DAPCI) for their analysis. In this work, a carbon nanotube fiber ionization (nanoCFI) source was developed and was found to be capable of solid phase microextraction (SPME) of nonpolar analytes as well as ionization and sampling similar to that of direct probe atmospheric pressure chemical ionization (DP-APCI). Conductivity and adsorption were maintained by utilizing a corona pin functionalized with a multi-walled carbon nanotube (MWCNT) thread. Quantitative work with the nanoCFI source with a designed corona discharge pin insert demonstrated linearity up to 0.97 (R 2 ) of three target PAHs with phenanthrene internal standard. Graphical Abstract ᅟ.

Carbon Nanotube Fiber Ionization Mass Spectrometry: A Fundamental Study of a Multi-Walled Carbon Nanotube Functionalized Corona Discharge Pin for Polycyclic Aromatic Hydrocarbons Analysis

NASA Astrophysics Data System (ADS)

Nahan, Keaton S.; Alvarez, Noe; Shanov, Vesselin; Vonderheide, Anne

2017-09-01

Mass spectrometry continues to tackle many complicated tasks, and ongoing research seeks to simplify its instrumentation as well as sampling. The desorption electrospray ionization (DESI) source was the first ambient ionization source to function without extensive gas requirements and chromatography. Electrospray techniques generally have low efficiency for ionization of nonpolar analytes and some researchers have resorted to methods such as direct analysis in real time (DART) or desorption atmospheric pressure chemical ionization (DAPCI) for their analysis. In this work, a carbon nanotube fiber ionization (nanoCFI) source was developed and was found to be capable of solid phase microextraction (SPME) of nonpolar analytes as well as ionization and sampling similar to that of direct probe atmospheric pressure chemical ionization (DP-APCI). Conductivity and adsorption were maintained by utilizing a corona pin functionalized with a multi-walled carbon nanotube (MWCNT) thread. Quantitative work with the nanoCFI source with a designed corona discharge pin insert demonstrated linearity up to 0.97 (R2) of three target PAHs with phenanthrene internal standard. [Figure not available: see fulltext.

Laser resonance ionization spectroscopy on lutetium for the MEDICIS project

NASA Astrophysics Data System (ADS)

Gadelshin, V.; Cocolios, T.; Fedoseev, V.; Heinke, R.; Kieck, T.; Marsh, B.; Naubereit, P.; Rothe, S.; Stora, T.; Studer, D.; Van Duppen, P.; Wendt, K.

2017-11-01

The MEDICIS-PROMED Innovative Training Network under the Horizon 2020 EU program aims to establish a network of early stage researchers, involving scientific exchange and active cooperation between leading European research institutions, universities, hospitals, and industry. Primary scientific goal is the purpose of providing and testing novel radioisotopes for nuclear medical imaging and radionuclide therapy. Within a closely linked project at CERN, a dedicated electromagnetic mass separator system is presently under installation for production of innovative radiopharmaceutical isotopes at the new CERN-MEDICIS laboratory, directly adjacent to the existing CERN-ISOLDE radioactive ion beam facility. It is planned to implement a resonance ionization laser ion source (RILIS) to ensure high efficiency and unrivaled purity in the production of radioactive ions. To provide a highly efficient ionization process, identification and characterization of a specific multi-step laser ionization scheme for each individual element with isotopes of interest is required. The element lutetium is of primary relevance, and therefore was considered as first candidate. Three two-step excitation schemes for lutetium atoms are presented in this work, and spectroscopic results are compared with data of other authors.

Electron-impact Ionization of P-like Ions Forming Si-like Ions

NASA Astrophysics Data System (ADS)

Kwon, D.-H.; Savin, D. W.

2014-03-01

We have calculated electron-impact ionization (EII) for P-like systems from P to Zn15 + forming Si-like ions. The work was performed using the flexible atomic code (FAC) which is based on a distorted-wave approximation. All 3l → nl' (n = 3-35) excitation-autoionization (EA) channels near the 3p direct ionization threshold and 2l → nl' (n = 3-10) EA channels at the higher energies are included. Close attention has been paid to the detailed branching ratios. Our calculated total EII cross sections are compared both with previous FAC calculations, which omitted many of these EA channels, and with the available experimental results. Moreover, for Fe11 +, we find that part of the remaining discrepancies between our calculations and recent measurements can be accounted for by the inclusion of the resonant excitation double autoionization process. Lastly, at the temperatures where each ion is predicted to peak in abundances in collisional ionization equilibrium, the Maxwellian rate coefficients derived from our calculations differ by 50%-7% from the previous FAC rate coefficients, with the difference decreasing with increasing charge.

Electron emission from transfer ionization reaction in 30 keV amu‑1 He 2+ on Ar collision

NASA Astrophysics Data System (ADS)

Amaya-Tapia, A.; Antillón, A.; Estrada, C. D.

2018-06-01

A model is presented that describes the transfer ionization process in H{e}2++Ar collision at a projectile energy of 30 keV amu‑1. It is based on a semiclassical independent-particle close-coupling method that yields a reasonable agreement between calculated and experimental values of the total single-ionization and single-capture cross sections. It is found that the transfer ionization reaction is predominantly carried out through simultaneous capture and ionization, rather than by sequential processes. The transfer-ionization differential cross section in energy that is obtained satisfactorily reproduces the global behavior of the experimental data. Additionally, the probabilities of capture and ionization as function of the impact parameter for H{e}2++A{r}+ and H{e}++A{r}+ collisions are calculated, as far as we know, for the first time. The results suggest that the model captures essential elements that describe the two-electron transfer ionization process and could be applied to systems and processes of two electrons.

Mass spectroscopic apparatus and method

DOEpatents

Bomse, David S.; Silver, Joel A.; Stanton, Alan C.

1991-01-01

The disclosure is directed to a method and apparatus for ionization modulated mass spectrometric analysis. Analog or digital data acquisition and processing can be used. Ions from a time variant source are detected and quantified. The quantified ion output is analyzed using a computer to provide a two-dimensional representation of at least one component present within an analyte.

Ultralow Energy Electron Attachment at Sub-Millielectron Volt Resolution

NASA Astrophysics Data System (ADS)

Chutjian, Ara

1999-10-01

The technique of rare-gas photoionization(J. M. Ajello and A. Chutjian, J. Chem. Phys. 65), 5524 (1976). has been extended(A. Kortyna, M. Darrach and A. Chutjian, Bull. Am. Phys. Soc. 43), 1336 (1998). by use of direct laser ionization to electron energies ɛ in the range 0-100 meV, with a resolution Δɛ of 0.4-0.5 meV (FWHM). Tunable UV light at λ276 nm is produced using a pulsed Nd:YAG laser and nonlinear mixing techniques. The beam is frequency tripled in a pulsed jet of xenon. The VUV radiation, tunable at λ92 nm, is then used to photoionize Xe at its ^2P_1/2 threshold (single-photon ionization). The photoelectrons produced interact with admixed target gas to generate negative ions through the s-wave capture process. Recent results in electron attachment to SF6 will be reported which show resonance structure at the opening of the ground-state vibrational channels.^3,(H. Hotop et al., AIP Conf. Proc. Ser. 360 (AIP, New York, 1995), and private communication.) This structure corresponds to the process of vibrational excitation + attachment, which is superimposed on the underlying s-wave (direct) capture process. It should be a general phenomenon, present in a wide variety of zero-energy electron attaching molecules.

Enhanced direct ambient analysis by differential mobility-filtered desorption electrospray ionization-mass spectrometry.

PubMed

Galhena, Asiri S; Harris, Glenn A; Kwasnik, Mark; Fernández, Facundo M

2010-11-15

Desorption electrospray ionization (DESI) is rapidly becoming established as one of the most powerful ionization techniques allowing direct surface analysis by mass spectrometry (MS) in the ambient environment. DESI provides a significant number of unique analytical capabilities for a broad range of applications, both quantitative and qualitative in nature including biological tissue imaging, pharmaceutical quality control, in vivo analysis, proteomics, metabolomics, forensics, and explosives detection. Despite its growing adoption as a powerful high throughput analysis tool, DESI-MS analysis at trace levels often suffers from background chemical interferences generated during the electrospray ionization processes. In order to improve sensitivity and selectivity, a differential mobility (DM) ion separation cell was successfully interfaced to a custom-built DESI ion source. This new hybrid platform can be operated in two modes: the "DM-off" mode for standard DESI analysis and "DM-on mode" where DESI-generated ions are detected after discrimination by the differential mobility cell. The performance of the DESI-DM-MS platform was tested with several samples typically amenable to DESI analysis, including counterfeit pharmaceuticals and binary mixtures of isobaric chemicals of importance in the pharmaceutical and food industries. In the DM-on mode, DESI-MS signal-to-noise ratios were improved by 70-190% when compared to the DM-off mode. Also, the addition of the DM cell enabled selective in-source ion activation of specific DESI-generated precursor ions, providing tandem MS-like spectra in a single stage mass spectrometer.

Nanoengineering of strong field processes in solids

NASA Astrophysics Data System (ADS)

Almalki, S.; Parks, A. M.; Brabec, T.; McDonald, C. R.

2018-04-01

We present a theoretical investigation of the effect of quantum confinement on high harmonic generation in semiconductor materials by systematically varying the confinement width along one or two directions transverse to the laser polarization. Our analysis shows a growth in high harmonic efficiency concurrent with a reduction of ionization. This decrease in ionization comes as a consequence of an increased band gap resulting from the confinement. The increase in harmonic efficiency results from a restriction of wave packet spreading, leading to greater recollision probability. Consequently, nanoengineering of one and two-dimensional nanosystems may prove to be a viable means to increase harmonic yield and photon energy in semiconductor materials driven by intense laser fields.

Study of elastic and inelastic cross sections by positron impact on inert gases

NASA Astrophysics Data System (ADS)

Singh, Suvam; Naghma, Rahla; Kaur, Jaspreet; Antony, Bobby

2018-04-01

In this article, a modified computational method recently introduced is used for the calculation of total, positronium (Ps) formation and ionization cross sections including direct and total ionization cross sections for positron scattering from noble gases. The incident positron is assumed to have energies over a wide range from 5 eV to 5 keV. The positron-atom interaction potential is developed under an optical potential framework and the computations of cross sections for each process are performed by introducing appropriate absorption thresholds. The calculated results obtained by employing this modified approach are found to be in reasonably good agreement with most of the existing data.

VUV and soft x-ray ionization of a plant volatile: Vanillin (C{sub 8}H{sub 8}O{sub 3})

DOE Office of Scientific and Technical Information (OSTI.GOV)

Betancourt, A. Moreno; Moura, C. E. V. de; Rocha, A. B.

2016-03-21

Plant volatiles are emitted by plants in response to several forms of stress, including interaction with energetic photons. In the present work, we discuss the interaction of extreme UV and soft X-ray photons with a plant volatile, vanillin. The single and double (multiple) ionization of the vanillin molecule have been studied for the first time using time-of-flight mass spectrometry and VUV and soft X-ray photons (synchrotron radiation, at 12.0 eV, 21.2 eV, 130 eV, 310 eV, 531 eV, and 550 eV). At 12.0 and 21.2 eV, only singly charged species are observed and the parent ion, C{sub 8}H{sub 8}O{sub 3}{supmore » +}, is the dominant species. Energy differences for some selected fragments were calculated theoretically in this energy region. At 130 eV, direct double and triple ionization of the valence electrons may occur. The fragmentation increases and CHO{sup +} becomes one of the main cations in the mass spectrum. The molecular ion is still the dominant species, but other fragments, such as C{sub 6}H{sub 5}O{sup +}, begin to present similar intensities. At 310 eV, C 1s electrons may be ionized and Auger processes give rise to dissociative doubly ionized cations. Ionization around the O 1s edge has been studied both at the 531 eV resonance and above the ionization edge. Resonant and normal Auger processes play a significant role in each case and a large fragmentation of the molecule is observed at both photon energies, with intense fragments such as CHO{sup +} and CH{sub 3}{sup +} being clearly observed. A near edge X-ray absorption fine structure spectrum of the vanillin molecule was obtained around the O 1s ionization threshold. In addition, the fragmentation of vanillin has also been studied using a fast beam of electrons (800 eV), for the sake of comparison.« less

High Surface Area of Porous Silicon Drives Desorption of Intact Molecules

PubMed Central

Northen, Trent R.; Woo, Hin-Koon; Northen, Michael T.; Nordström, Anders; Uritboonthail, Winnie; Turner, Kimberly L.; Siuzdak, Gary

2007-01-01

The surface structure of porous silicon used in desorption/ionization on porous silicon (DIOS) mass analysis is known to play a primary role in the desorption/ionization (D/I) process. In this study, mass spectrometry and scanning electron microscopy (SEM) are used to examine the correlation between intact ion generation with surface ablation, and surface morphology. The DIOS process is found to be highly laser energy dependent and correlates directly with the appearance of surface ions (Sin+ and OSiH+). A threshold laser energy for DIOS is observed (10 mJ/cm2), which supports that DIOS is driven by surface restructuring and is not a strictly thermal process. In addition, three DIOS regimes are observed which correspond to surface restructuring and melting. These results suggest that higher surface area silicon substrates may enhance DIOS performance. A recent example which fits into this mechanism is silicon nanowires surface which have a high surface energy and concomitantly requires lower laser energy for analyte desorpton. PMID:17881245

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.

Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry.

PubMed

Chernetsova, Elena S; Morlock, Gertrud E

2011-01-01

Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. Copyright © 2011 Wiley Periodicals, Inc.

SERENA: a suite of four instruments (ELENA, STROFIO, PICAM and MIPA) on board BepiColombo-MPO for particle detection in the Hermean Environment

NASA Astrophysics Data System (ADS)

Milillo, Anna; Livi, Stefano; Orsini, Stefano; Torkar, Klaus; Barabash, Stas; Milillo, Anna; Wurz, Peter; di Lellis, Andrea Maria; Kallio, Esa

SERENA (‘Search for Exospheric Refilling and Emitted Natural Abundances') is an instrument package that will fly on board the BepiColombo/Mercury Planetary Orbiter (MPO); it will investigate the Mercury's complex particle environment that surrounds the planet. Such an environment is composed by thermal and directional neutral atoms (exosphere) originating via surface release and charge-exchange processes, and by ionized particles originated through photo-ionization and again by surface release processes. In order to accomplish the scientific goals, in-situ analysis of the environmental elements is necessary, and for such a purpose the SERENA instrument shall include four units: two Neutral Particle Analyzers (ELENA and STROFIO) and two Ion Spectrometers (MIPA and PICAM). The scientific merit of SERENA is presented, and the basic characteristics of the four units are described, with a focus on novel technological aspects.

Crosstalk between telomere maintenance and radiation effects: A key player in the process of radiation-induced carcinogenesis

PubMed Central

Shim, Grace; Ricoul, Michelle; Hempel, William M.; Azzam, Edouard I.; Sabatier, Laure

2014-01-01

It is well established that ionizing radiation induces chromosomal damage, both following direct radiation exposure and via non-targeted (bystander) effects, activating DNA damage repair pathways, of which the proteins are closely linked to telomeric proteins and telomere maintenance. Long-term propagation of this radiation-induced chromosomal damage during cell proliferation results in chromosomal instability. Many studies have shown the link between radiation exposure and radiation-induced changes in oxidative stress and DNA damage repair in both targeted and non-targeted cells. However, the effect of these factors on telomeres, long established as guardians of the genome, still remains to be clarified. In this review, we will focus on what is known about how telomeres are affected by exposure to low- and high-LET ionizing radiation and during proliferation, and will discuss how telomeres may be a key player in the process of radiation-induced carcinogenesis. PMID:24486376

Passive particle dosimetry. [silver halide crystal growth

NASA Technical Reports Server (NTRS)

Childs, C. B.

1977-01-01

Present methods of dosimetry are reviewed with emphasis on the processes using silver chloride crystals for ionizing particle dosimetry. Differences between the ability of various crystals to record ionizing particle paths are directly related to impurities in the range of a few ppm (parts per million). To understand the roles of these impurities in the process, a method for consistent production of high purity silver chloride, and silver bromide was developed which yields silver halides with detectable impurity content less than 1 ppm. This high purity silver chloride was used in growing crystals with controlled doping. Crystals were grown by both the Czochalski method and the Bridgman method, and the Bridgman grown crystals were used for the experiments discussed. The distribution coefficients of ten divalent cations were determined for the Bridgman crystals. The best dosimeters were made with silver chloride crystals containing 5 to 10 ppm of lead; other impurities tested did not produce proper dosimeters.

grid-model: Semi-numerical reionization code

NASA Astrophysics Data System (ADS)

Hutter, Anne

2018-05-01

grid-model computes the time and spatially dependent ionization of neutral hydrogen (HI), neutral (HeI) and singly ionized helium (HeII) in the intergalactic medium (IGM). It accounts for recombinations and provides different descriptions for the photoionization rate that are used to calculate the residual HI fraction in ionized regions. The ionizing emissivity is directly derived from the RT simulation spectra.

Target electron ionization in Li2+-Li collisions: A multi-electron perspective

NASA Astrophysics Data System (ADS)

Śpiewanowski, M. D.; Gulyás, L.; Horbatsch, M.; Kirchner, T.

2015-05-01

The recent development of the magneto-optical trap reaction-microscope has opened a new chapter for detailed investigations of charged-particle collisions from alkali atoms. It was shown that energy-differential cross sections for ionization from the outer-shell in O8+-Li collisions at 1500 keV/amu can be readily explained with the single-active-electron approximation. Understanding of K-shell ionization, however, requires incorporating many-electron effects. An ionization-excitation process was found to play an important role. We present a theoretical study of target electron removal in Li2+-Li collisions at 2290 keV/amu. The results indicate that in outer-shell ionization a single-electron process plays the dominant part. However, the K-shell ionization results are more difficult to interpret. On one hand, we find only weak contributions from multi-electron processes. On the other hand, a large discrepancy between experimental and single-particle theoretical results indicate that multi-electron processes involving ionization from the outer shell may be important for a complete understanding of the process. Work supported by NSERC, Canada and the Hungarian Scientific Research Fund.

Synergistic effect of ozonation and ionizing radiation for PVA decomposition.

PubMed

Sun, Weihua; Chen, Lujun; Zhang, Yongming; Wang, Jianlong

2015-08-01

Ozonation and ionizing radiation are both advanced oxidation processes (AOPs) without chemical addition and secondary pollution. Also, the two processes' efficiency is determined by different pH conditions, which creates more possibilities for their combination. Importantly, the combined process of ozonation and ionizing radiation could be suitable for treating wastewaters with extreme pH values, i.e., textile wastewater. To find synergistic effects, the combined process of ozonation and ionizing radiation mineralization was investigated for degradation of polyvinyl alcohol (PVA) at different pH levels. A synergistic effect was found at initial pH in the range 3.0-9.4. When the initial pH was 3.0, the combined process of ozonation and ionizing radiation gave a PVA mineralization degree of 17%. This was 2.7 times the sum achieved by the two individual processes, and factors of 2.1 and 1.7 were achieved at initial pH of 7.0 and 9.4, respectively. The combined process of ozonation and ionizing radiation was demonstrated to be a feasible strategy for treatment of PVA-containing wastewater. Copyright © 2015. Published by Elsevier B.V.

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.

Clinical Application of Ambient Ionization Mass Spectrometry

PubMed Central

Li, Li-Hua; Hsieh, Hua-Yi; Hsu, Cheng-Chih

2017-01-01

Ambient ionization allows mass spectrometry analysis directly on the sample surface under atmospheric pressure with almost zero sample pretreatment. Since the development of desorption electrospray ionization (DESI) in 2004, many other ambient ionization techniques were developed. Due to their simplicity and low operation cost, rapid and on-site clinical mass spectrometry analysis becomes real. In this review, we will highlight some of the most widely used ambient ionization mass spectrometry approaches and their applications in clinical study. PMID:28337399

Valence ionized states of iron pentacarbonyl and eta5-cyclopentadienyl cobalt dicarbonyl studied by symmetry-adapted cluster-configuration interaction calculation and collision-energy resolved Penning ionization electron spectroscopy.

PubMed

Fukuda, Ryoichi; Ehara, Masahiro; Nakatsuji, Hiroshi; Kishimoto, Naoki; Ohno, Koichi

2010-02-28

Valence ionized states of iron pentacarbonyl Fe(CO)(5) and eta(5)-cyclopentadienyl cobalt dicarbonyl Co(eta(5)-C(5)H(5))(CO)(2) have been studied by ultraviolet photoelectron spectroscopy, two-dimensional Penning ionization electron spectroscopy (2D-PIES), and symmetry-adapted cluster-configuration interaction calculations. Theory provided reliable assignments for the complex ionization spectra of these molecules, which have metal-carbonyl bonds. Theoretical ionization energies agreed well with experimental observations and the calculated wave functions could explain the relative intensities of PIES spectra. The collision-energy dependence of partial ionization cross sections (CEDPICS) was obtained by 2D-PIES. To interpret these CEDPICS, the interaction potentials between the molecules and a Li atom were examined in several coordinates by calculations. The relation between the slope of the CEDPICS and the electronic structure of the ionized states, such as molecular symmetry and the spatial distribution of ionizing orbitals, was analyzed. In Fe(CO)(5), an attractive interaction was obtained for the equatorial CO, while the interaction for the axial CO direction was repulsive. For Co(eta(5)-C(5)H(5))(CO)(2), the interaction potential in the direction of both Co-C-O and Co-Cp ring was attractive. These anisotropic interactions and ionizing orbital distributions consistently explain the relative slopes of the CEDPICS.

Characterization of anti-theft devices directly from the surface of banknotes via easy ambient sonic spray ionization mass spectrometry.

PubMed

Schmidt, Eduardo Morgado; Franco, Marcos Fernando; Cuelbas, Claudio José; Zacca, Jorge Jardim; de Carvalho Rocha, Werickson Fortunato; Borges, Rodrigo; de Souza, Wanderley; Sawaya, Alexandra Christine Helena Frankland; Eberlin, Marcos Nogueira; Correa, Deleon Nascimento

2015-09-01

Using Brazilian banknotes as a test case, forensic examination and identification of Rhodamine B dye anti-theft device (ATD) staining on banknotes were performed. Easy ambient sonic spray ionization mass spectrometry (EASI-MS) was used since it allows fast and simple analysis with no sample preparation providing molecular screening of the surface with direct desorption and ionization of the security dye. For a more accurate molecular characterization of the ATD dye, Q Exactive Orbitrap™ Fourier transform (tandem) mass spectrometry using eletrospray ionization (ESI-HRMS/MS) was also applied. Copyright © 2015 The Chartered Society of Forensic Sciences. Published by Elsevier Ireland Ltd. All rights reserved.

Covalent organic framework as efficient desorption/ionization matrix for direct detection of small molecules by laser desorption/ionization mass spectrometry.

PubMed

Feng, Dan; Xia, Yan

2018-07-19

Covalent organic framework (COF) was explored as a novel matrix with a high desorption/ionization efficiency for direct detection of small molecules by laser desorption/ionization time-of-flight mass spectrometry (LDI-TOF MS). By using COF as an LDI MS matrix, we could detect not only biological micro molecules such as amino acids and fatty acids, but also emerging environmental pollutants like bisphenol S (BPS) and pyrene. With COF as the matrix, higher desorption/ionization efficiency, and less background interference were achieved than the conventional organic matrices. Good salt tolerance (as high as 500 mM NaCl) and repeatability allowed the detection limit of amino acids was 90 fmol. In addition, COF matrix performed well for amino acids analysis in the honey sample. The ionization mechanism was also discussed. These results demonstrate that COF is a powerful matrix for small molecules analysis in real samples by MS. Copyright © 2018 Elsevier B.V. All rights reserved.

Real Time Monitoring of Containerless Microreactions in Acoustically Levitated Droplets via Ambient Ionization Mass Spectrometry.

PubMed

Crawford, Elizabeth A; Esen, Cemal; Volmer, Dietrich A

2016-09-06

Direct in-droplet (in stillo) microreaction monitoring using acoustically levitated micro droplets has been achieved by combining acoustic (ultrasonic) levitation for the first time with real time ambient tandem mass spectrometry (MS/MS). The acoustic levitation and inherent mixing of microliter volumes of reactants (3 μL droplets), yielding total reaction volumes of 6 μL, supported monitoring the acid-catalyzed degradation reaction of erythromycin A. This reaction was chosen to demonstrate the proof-of-principle of directly monitoring in stillo microreactions via hyphenated acoustic levitation and ambient ionization mass spectrometry. The microreactions took place completely in stillo over 30, 60, and 120 s within the containerless stable central pressure node of an acoustic levitator, thus readily promoting reaction miniaturization. For the evaluation of the miniaturized in stillo reactions, the degradation reactions were also carried out in vials (in vitro) with a total reaction volume of 400 μL. The reacted in vitro mixtures (6 μL total) were similarly introduced into the acoustic levitator prior to ambient ionization MS/MS analysis. The in stillo miniaturized reactions provided immediate real-time snap-shots of the degradation process for more accurate reaction monitoring and used a fraction of the reactants, while the larger scale in vitro reactions only yielded general reaction information.

Evidence for electron-based ion generation in radio-frequency ionization.

PubMed

Olaitan, Abayomi D; Zekavat, Behrooz; Solouki, Touradj

2016-01-01

Radio-frequency ionization (RFI) is a novel ionization method coupled to mass spectrometry (MS) for analysis of semi-volatile and volatile organic compounds (VOCs). Despite the demonstrated capabilities of RFI MS for VOC analysis in both positive- and negative-ion modes, mechanism of RFI is not completely understood. Improved understanding of the ion generation process in RFI should expand its utility in MS. Here, we studied the possibility of electron emission in RFI using both direct charged particle current measurements and indirect electron detection in a 9.4-T Fourier transform-ion cyclotron resonance (FT-ICR) mass spectrometer. We show that RF-generated electrons can be trapped in the ICR cell and, subsequently, reacted with neutral hexafluorobenzene (C6 F6 ) molecules to generate C6 F6 (●-) . Intensity of observed C6 F6 (●-) species correlated with the number of trapped electrons and decreased as a function of electron quenching period. We also measured the electron attachment rate constant of hexafluorobenzene using a post-RF electron trapping experiment. Measured electron attachment rate constant of hexafluorobenzene (1.19 (±0.53) × 10(-9)  cm(3)  molecule(-1)  s(-1) ) for post-RF FT-ICR MS agreed with the previously reported value (1.60 (±0.30) × 10(-9)  cm(3)  molecule(-1)  s(-1) ) from low-pressure ICR MS measurements. Experimental results from direct and indirect electron measurements suggest that RFI process involves RF-generated electrons under ultrahigh vacuum conditions. Copyright © 2015 John Wiley & Sons, Ltd.

Sequential Double lonization: The Timing of Release

NASA Astrophysics Data System (ADS)

Pfeiffer, A.

2011-05-01

The timing of electron release in strong field double ionization poses great challenges both for conceptual definition and for conducting experimental measurement. Here we present coincidence momentum measurements of the doubly charged ion and of the two electrons arising from double ionization of Argon using elliptically (close to circularly) polarized laser pulses. Based on a semi-classical model, the ionization times are calculated from the measured electron momenta across a large intensity range. Exploiting the attoclock technique we have direct access to timings on a coarse and on a fine scale, similar to the hour and the minute hand of a clock. In our attoclock, the magnitude of the electron momenta follows the envelope of the laser pulse and gives a coarse timing for the electron releases (the hour hand), while the fine timing (the minute hand) is provided by the emission angle of the electrons. The first of our findings is that due to depletion the averaged ionization time moves towards the beginning of the pulse with increasing intensity, confirming the results of Maharjan et al., and that the ion momentum distribution projected onto the minor polarization axis shows a bifurcation from a 3-peak to a 4-peak structure. This effect can be fully understood by modeling the process semi-classically in the independent electron approximation following the simple man's model. The ionization time measurement performed with the attoclock shows that the release time of the first electron is in good agreement with the semi-classical simulation performed on the basis of Sequential Double lonization (SDI), whereas the ionization of the second electron occurs significantly earlier than predicted. This observation suggests that electron correlation and other Non-Sequential Double lonization (NSDI) mechanisms may play an important role also in the case of strong field double ionization by close-to-circularly polarized laser pulses. The timing of electron release in strong field double ionization poses great challenges both for conceptual definition and for conducting experimental measurement. Here we present coincidence momentum measurements of the doubly charged ion and of the two electrons arising from double ionization of Argon using elliptically (close to circularly) polarized laser pulses. Based on a semi-classical model, the ionization times are calculated from the measured electron momenta across a large intensity range. Exploiting the attoclock technique we have direct access to timings on a coarse and on a fine scale, similar to the hour and the minute hand of a clock. In our attoclock, the magnitude of the electron momenta follows the envelope of the laser pulse and gives a coarse timing for the electron releases (the hour hand), while the fine timing (the minute hand) is provided by the emission angle of the electrons. The first of our findings is that due to depletion the averaged ionization time moves towards the beginning of the pulse with increasing intensity, confirming the results of Maharjan et al., and that the ion momentum distribution projected onto the minor polarization axis shows a bifurcation from a 3-peak to a 4-peak structure. This effect can be fully understood by modeling the process semi-classically in the independent electron approximation following the simple man's model. The ionization time measurement performed with the attoclock shows that the release time of the first electron is in good agreement with the semi-classical simulation performed on the basis of Sequential Double lonization (SDI), whereas the ionization of the second electron occurs significantly earlier than predicted. This observation suggests that electron correlation and other Non-Sequential Double lonization (NSDI) mechanisms may play an important role also in the case of strong field double ionization by close-to-circularly polarized laser pulses. In collaboration with C. Cirelli and M. Smolarski, Physics Department, ETH Zurich, 8093 Zurich, Switzerland; R. Doerner, Institut fiir Kernphysik, Johann Wolfgang Goethe Universitat, 60438 Frankfurt am Main, Germany; and U. Keller, ETH Zurich.

Partially Ionized Plasmas in Astrophysics

NASA Astrophysics Data System (ADS)

Ballester, José Luis; Alexeev, Igor; Collados, Manuel; Downes, Turlough; Pfaff, Robert F.; Gilbert, Holly; Khodachenko, Maxim; Khomenko, Elena; Shaikhislamov, Ildar F.; Soler, Roberto; Vázquez-Semadeni, Enrique; Zaqarashvili, Teimuraz

2018-03-01

Partially ionized plasmas are found across the Universe in many different astrophysical environments. They constitute an essential ingredient of the solar atmosphere, molecular clouds, planetary ionospheres and protoplanetary disks, among other environments, and display a richness of physical effects which are not present in fully ionized plasmas. This review provides an overview of the physics of partially ionized plasmas, including recent advances in different astrophysical areas in which partial ionization plays a fundamental role. We outline outstanding observational and theoretical questions and discuss possible directions for future progress.

Atmospheric Gaseous Plasma with Large Dimensions

NASA Astrophysics Data System (ADS)

Korenev, Sergey

2012-10-01

The forming of atmospheric plasma with large dimensions using electrical discharge typically uses the Dielectric Barrier Discharge (DBD). The study of atmospheric DBD was shown some problems related to homogeneous volume plasma. The volume of this plasma determines by cross section and gas gap between electrode and dielectric. The using of electron beam for volume ionization of air molecules by CW relativistic electron beams was shown the high efficiency of this process [1, 2]. The main advantage of this approach consists in the ionization of gas molecules by electrons in longitudinal direction determines by their kinetic energy. A novel method for forming of atmospheric homogeneous plasma with large volume dimensions using ionization of gas molecules by pulsed non-relativistic electron beams is presented in the paper. The results of computer modeling for delivered doses of electron beams in gases and ionization are discussed. The structure of experimental bench with plasma diagnostics is considered. The preliminary results of forming atmospheric plasma with ionization gas molecules by pulsed nanosecond non-relativistic electron beam are given. The analysis of potential applications for atmospheric volume plasma is presented. Reference: [1] S. Korenev. ``The ionization of air by scanning relativistic high power CW electron beam,'' 2002 IEEE International Conference on Plasma Science. May 2002, Alberta, Canada. [2] S. Korenev, I. Korenev. ``The propagation of high power CW scanning electron beam in air.'' BEAMS 2002: 14th International Conference on High-Power Particle Beams, Albuquerque, New Mexico (USA), June 2002, AIP Conference Proceedings Vol. 650(1), pp. 373-376. December 17.

Efficient and scalable ionization of neutral atoms by an orderly array of gold-doped silicon nanowires

NASA Astrophysics Data System (ADS)

Bucay, Igal; Helal, Ahmed; Dunsky, David; Leviyev, Alex; Mallavarapu, Akhila; Sreenivasan, S. V.; Raizen, Mark

2017-04-01

Ionization of atoms and molecules is an important process in many applications and processes such as mass spectrometry. Ionization is typically accomplished by electron bombardment, and while it is scalable to large volumes, is also very inefficient due to the small cross section of electron-atom collisions. Photoionization methods can be highly efficient, but are not scalable due to the small ionization volume. Electric field ionization is accomplished using ultra-sharp conducting tips biased to a few kilovolts, but suffers from a low ionization volume and tip fabrication limitations. We report on our progress towards an efficient, robust, and scalable method of atomic and molecular ionization using orderly arrays of sharp, gold-doped silicon nanowires. As demonstrated in earlier work, the presence of the gold greatly enhances the ionization probability, which was attributed to an increase in available acceptor surface states. We present here a novel process used to fabricate the nanowire array, results of simulations aimed at optimizing the configuration of the array, and our progress towards demonstrating efficient and scalable ionization.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Mi-Young; Yoon, Jung-Sik; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr

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 ismore » 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.« less

Ionization and dissociation of molecular ion beams by intense ultrafast laser pulses

NASA Astrophysics Data System (ADS)

Ben-Itzhak, Itzik

2007-06-01

Laser-induced dissociation and ionization of a diatomic molecular-ion beam were simultaneously measured using coincidence 3D momentum imaging, with direct separation of the two processes even where the fragment kinetic energy is the same for both processes. We mainly focus on the fundamental H2^+ molecule in 7-135 fs laser pulses having 10^13-10^15 W/cm^2 peak intensity. At high intensities the kinetic energy release (KER) distribution following ionization of H2^+ was measured to be broad and structureless. Its centroid shifts toward higher energies as the laser intensity is increased indicating that ionization shifts to smaller internuclear distances. In contrast, a surprising structure is observed near the ionization threshold, which we call above threshold Coulomb explosion (ATCE) [1]. The angular distributions of the two H^+ fragments are strongly peaked along the laser polarization, and the angular distribution is described well by [cos^2θ]^n, where n is the number of photons predicted by our ATCE model [1]. Our data indicates that n varies with the laser wavelength as predicted by the model. The KER and angular distributions of H2^+ dissociation change dramatically with decreasing pulse width over the 7-135 fs range in contrast to the reported trend for longer pulses. Others contributing to this work: A.M. Sayler, P.Q. Wang, J. McKenna, B. Gaire, Nora G. Johnson, E. Parke, K.D. Carnes, and B.D. Esry. Thank are due to Professor Zenghu Chang for providing the intense laser beams and Dr. Charles Fehrenbach for his help with the ion beams. [1] B.D. Esry, A.M. Sayler, P.Q. Wang, K.D. Carnes, and I. Ben-Itzhak, Phys. Rev. Lett. 97, 013003 (2006).

Strategic Directions in Heliophysics Research Related to Weakly Ionized Plasmas

NASA Technical Reports Server (NTRS)

Spann, James F.

2010-01-01

In 2009, the Heliophysics Division of NASA published its triennial roadmap entitled "Heliophysics; the solar and space physics of a new era." In this document contains a science priority that is recommended that will serve as input into the recently initiated NRC Heliophysics Decadal Survey. The 2009 roadmap includes several science targets recommendations that are directly related to weakly ionized plasmas, including on entitled "Ion-Neutral Coupling in the Atmosphere." This talk will be a brief overview of the roadmap with particular focus on the science targets relevant to weakly ionized plasmas.

Geometry directed self-selection in the coordination-driven self-assembly of irregular supramolecular polygons.

PubMed

Zheng, Yao-Rong; Northrop, Brian H; Yang, Hai-Bo; Zhao, Liang; Stang, Peter J

2009-05-01

The self-assembly of irregular metallo-supramolecular hexagons and parallelograms has been achieved in a self-selective manner upon mixing 120 degrees unsymmetrical dipyridyl ligands with 60 degrees or 120 degrees organoplatinum acceptors in a 1:1 ratio. The polygons have been characterized using (31)P and (1)H multinuclear NMR spectroscopy and electrospray ionization mass spectrometry (ESI-MS) as well as X-ray crystallography. Geometric features of the molecular subunits direct the self-selection process, which is supported by molecular force field computations.

Geometry Directed Self-Selection in the Coordination-Driven Self-Assembly of Irregular Supramolecular Polygons

PubMed Central

Zheng, Yao-Rong; Northrop, Brian H; Yang, Hai-Bo; Zhao, Liang; Stang, Peter J.

2009-01-01

The self-assembly of irregular metallo-supramolecular hexagons and parallelograms has been achieved in a self-selective manner upon mixing 120° unsymmetrical dipyridyl ligands with 60° or 120° organoplatinum acceptors in a 1:1 ratio. The polygons have been characterized using 31P and 1H multinuclear NMR spectroscopy and electrospray ionization mass spectrometry (ESI-MS), as well as X-ray crystallography. Geometric features of the molecular subunits direct the self-selection process, which is supported by molecular force field computations. PMID:19348444

Direct and Quantitative Characterization of Dynamic Ligand Exchange between Coordination-Driven Self-Assembled Supramolecular Polygons

PubMed Central

Zheng, Yao-Rong; Stang, Peter J.

2009-01-01

The direct observation of dynamic ligand exchange beween Pt-N coordination-driven self-assembled supramolecular polygons (triangles and rectangles) has been achieved using stable isotope labeling (1H/2D) of the pyridyl donors and electrospray ionization mass spectrometry (ESI-MS) together with NMR spectroscopy. Both the thermodynamic and kinetic aspects of such exchange processes have been established based on quantitative mass spectral results. Further investigation showed that the exchange is highly dependent on experimental conditions such as temperature, solvent, and the counter anions. PMID:19243144

Direct and quantitative characterization of dynamic ligand exchange between coordination-driven self-assembled supramolecular polygons.

PubMed

Zheng, Yao-Rong; Stang, Peter J

2009-03-18

The direct observation of dynamic ligand exchange between Pt-N coordination-driven self-assembled supramolecular polygons (triangles and rectangles) has been achieved using stable (1)H/(2)D isotope labeling of the pyridyl donors and electrospray ionization mass spectrometry combined with NMR spectroscopy. Both the thermodynamic and kinetic aspects of such exchange processes have been established on the basis of quantitative mass spectral results. Further investigation has shown that the exchange is highly dependent on experimental conditions such as temperature, solvent, and the counteranions.

Computation of Electron Impact Ionization Cross sections of Iron Hydrogen Clusters - Relevance in Fusion Plasmas

NASA Astrophysics Data System (ADS)

Patel, Umang; Joshipura, K. N.

2017-04-01

Plasma-wall interaction (PWI) is one of the key issues in nuclear fusion research. In nuclear fusion devices, such as the JET tokamak or the ITER, first-wall materials will be directly exposed to plasma components. Erosion of first-wall materials is a consequence of the impact of hydrogen and its isotopes as main constituents of the hot plasma. Besides the formation of gas-phase atomic species in various charge states, di- and polyatomic molecular species are expected to be formed via PWI processes. These compounds may profoundly disturb the fusion plasma, may lead to unfavorable re-deposition of materials and composites in other areas of the vessel. Interaction between atoms, molecules as well transport of impurities are of interest for modelling of fusion plasma. Qion by electron impact are such process also important in low temperature plasma processing, astrophysics etc. We reported electron impact Qionfor iron hydrogen clusters, FeHn (n = 1 to 10) from ionization threshold to 2000 eV. A semi empirical approach called Complex Scattering Potential - Ionization Contribution (CSP-ic) has been employed for the reported calculation. In context of fusion relevant species Qion were reported for beryllium and its hydrides, tungsten and its oxides and cluster of beryllium-tungsten by Huber et al.. Iron hydrogen clusters are another such species whose Qion were calculated through DM and BEB formalisms, same has been compared with present calculations.

When theory and observation collide: Can non-ionizing radiation cause cancer?

PubMed

Havas, Magda

2017-02-01

This paper attempts to resolve the debate about whether non-ionizing radiation (NIR) can cause cancer-a debate that has been ongoing for decades. The rationale, put forward mostly by physicists and accepted by many health agencies, is that, "since NIR does not have enough energy to dislodge electrons, it is unable to cause cancer." This argument is based on a flawed assumption and uses the model of ionizing radiation (IR) to explain NIR, which is inappropriate. Evidence of free-radical damage has been repeatedly documented among humans, animals, plants and microorganisms for both extremely low frequency (ELF) electromagnetic fields (EMF) and for radio frequency (RF) radiation, neither of which is ionizing. While IR directly damages DNA, NIR interferes with the oxidative repair mechanisms resulting in oxidative stress, damage to cellular components including DNA, and damage to cellular processes leading to cancer. Furthermore, free-radical damage explains the increased cancer risks associated with mobile phone use, occupational exposure to NIR (ELF EMF and RFR), and residential exposure to power lines and RF transmitters including mobile phones, cell phone base stations, broadcast antennas, and radar installations. Copyright © 2016 Elsevier Ltd. All rights reserved.

Electron-impact ionization of P-like ions forming Si-like ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kwon, D.-H.; Savin, D. W., E-mail: hkwon@kaeri.re.kr

2014-03-20

We have calculated electron-impact ionization (EII) for P-like systems from P to Zn{sup 15+} forming Si-like ions. The work was performed using the flexible atomic code (FAC) which is based on a distorted-wave approximation. All 3ℓ → nℓ' (n = 3-35) excitation-autoionization (EA) channels near the 3p direct ionization threshold and 2ℓ → nℓ' (n = 3-10) EA channels at the higher energies are included. Close attention has been paid to the detailed branching ratios. Our calculated total EII cross sections are compared both with previous FAC calculations, which omitted many of these EA channels, and with the available experimentalmore » results. Moreover, for Fe{sup 11+}, we find that part of the remaining discrepancies between our calculations and recent measurements can be accounted for by the inclusion of the resonant excitation double autoionization process. Lastly, at the temperatures where each ion is predicted to peak in abundances in collisional ionization equilibrium, the Maxwellian rate coefficients derived from our calculations differ by 50%-7% from the previous FAC rate coefficients, with the difference decreasing with increasing charge.« less

Micrometeoroid ablation simulated in the laboratory

NASA Astrophysics Data System (ADS)

Sternovsky, Zoltan; Thomas, Evan W.; DeLuca, Michael; Horanyi, Mihaly; Janches, Diego; Munsat, Tobin L.; Plane, John M. C.

2016-04-01

A facility is developed to simulate the ablation of micrometeoroids in laboratory conditions, which also allows measuring the ionization probability of the ablated material. An electrostatic dust accelerator is used to generate iron and meteoric analog particles with velocities 10-50 km/s. The particles are then introduced into a cell filled with nitrogen, air or carbon dioxide gas with pressures adjustable in the 0.02 - 0.5 Torr range, where the partial or complete ablation of the particle occurs over a short distance. An array of biased electrodes is used to collect the ionized products with spatial resolution along the ablating particles' path, allowing thus the study of the temporal resolution of the process. A simple ablation model is used to match the observations. For completely ablated particles the total collected charge directly yields the ionization efficiency for. The measurements using iron particles in N2 and air are in relatively good agreement with earlier data. The measurements with CO2 and He gases, however, are significantly different from the expectations.

Application of Coaxial Ion Gun for Film Generation and Ion Implantation

NASA Astrophysics Data System (ADS)

Takatsu, Mikio; Asai, Tomohiko; Kurumi, Satoshi; Suzuki, Kaoru; Hirose, Hideharu; Masutani, Shigeyuki

A magnetized coaxial plasma gun (MCPG) is here utilized for deposition on high-melting-point metals. MCPGs have hitherto been studied mostly in the context of nuclear fusion research, for particle and magnetic helicity injection and spheromak formation. During spheromak formation, the electrode materials are ionized and mixed into the plasmoid. In this study, this ablation process by gun-current sputtering is enhanced for metallic thin-film generation. In the proposed system geometry, only ionized materials are electromagnetically accelerated by the self-Lorentz force, with ionized operating gas as a magnetized thermal plasmoid, contributing to the thin-film deposition. This reduces the impurity and non-uniformity of the deposited thin-film. Furthermore, as the ions are accelerated in a parallel direction to the injection axis, vertical implantation of the ions into the substrate surface is achieved. To test a potential application of the developed system, experiments were conducted involving the formation of a buffer layer on hard ceramics, for use in dental materials.

Anisotropic interaction and stereoreactivity in a chemi-ionization process of OCS by collision with He*(2(3)S) metastable atoms.

PubMed

Horio, Takuya; Maeda, Satoshi; Kishimoto, Naoki; Ohno, Koichi

2006-09-28

Ionic-state-resolved collision energy dependence of Penning ionization cross sections for OCS with He*(2(3)S) metastable atoms was measured in a wide collision energy range from 20 to 350 meV. Anisotropic interaction potential for the OCS-He*(2(3)S) system was obtained by comparison of the experimental data with classical trajectory simulations. It has been found that attractive potential wells around the O and S atoms are clearly different in their directions. Around the O atom, the collinear approach is preferred (the well depth is ca. 90 meV), while the perpendicular approach is favored around the S atom (the well depth is ca. 40 meV). On the basis of the optimized potential energy surface and theoretical simulations, stereo reactivity around the O and S atoms was also investigated. The results were discussed in terms of anisotropy of the potential energy surface and the electron density distribution of molecular orbitals to be ionized.

Kinetic modeling of streamer penetration into de-ionized water

NASA Astrophysics Data System (ADS)

Levko, Dmitry; Sharma, Ashish; Raja, Laxminarayan L.

2018-03-01

Interest in plasma-liquid interaction phenomena has grown in recent years due to applications in plasma medicine, water purification, and plasma-hydrocarbon reforming. The plasma in contact with liquid is generated, for example, using the plasma jets or streamer discharges. The interaction between the streamer and water can cause both physical and chemical modifications of the liquid. In this paper, the interaction between an anode-directed streamer and the de-ionized water is studied using one-dimensional particle-in-cell Monte Carlo collisions model. In this model, plasma species in both gas and liquid phase are considered as the macro-particles. We find that the penetration of the streamer head into the liquid causes ionization of water molecules by electron impact, a process which is usually ignored in the fluid models. The main charge carriers in the liquid phase are negative water ions which agree with earlier experimental and computational modeling studies. Additionally, we observe an ion-rich sheath in the vicinity of the water surface on the gas side.

Direct evidence of two interatomic relaxation mechanisms in argon dimers ionized by electron impact

PubMed Central

Ren, Xueguang; Jabbour Al Maalouf, Elias; Dorn, Alexander; Denifl, Stephan

2016-01-01

In weakly bound systems like liquids and clusters electronically excited states can relax in inter-particle reactions via the interplay of electronic and nuclear dynamics. Here we report on the identification of two prominent examples, interatomic Coulombic decay (ICD) and radiative charge transfer (RCT), which are induced in argon dimers by electron collisions. After initial ionization of one dimer constituent ICD and RCT lead to the ionization of its neighbour either by energy transfer to or by electron transfer from the neighbour, respectively. By full quintuple-coincidence measurements, we unambiguously identify ICD and RCT, and trace the relaxation dynamics as function of the collisional excited state energies. Such interatomic processes multiply the number of electrons and shift their energies down to the critical 1–10 eV range, which can efficiently cause chemical degradation of biomolecules. Therefore, the observed relaxation channels might contribute to cause efficient radiation damage in biological systems. PMID:27000407

Lif Spectroscopy of ThF and the Preparation of ThF^{+} for the Jila eEDM Experiment

NASA Astrophysics Data System (ADS)

Ng, Kia Boon; Zhou, Yan; Gresh, Dan; Cairncross, William; Roussy, Tanya; Shagam, Yuval; Cheng, Lan; Ye, Jun; Cornell, Eric

2017-06-01

ThF^{+} is a promising candidate for a second-generation molecular ion-based measurement of the permanent electric dipole moment of the electron (eEDM). Compared to the current HfF^{+} eEDM experiment, ThF^{+} has several advantages: (i) the eEDM-sensitive ^{3}Δ_1 electronic state is the ground state, which facilitates a long measurement coherence time; (ii) its effective electric field (38 GV/cm) is 50% larger than that of HfF+, which promises a direct increase of the eEDM sensitivity; and (iii) the ionization energy of neutral ThF is lower than its dissociation energy, which introduces a greater flexibility for rotational state-selective photoionization via core-nonpenetrating Rydberg states. We use laser-induced fluorescence (LIF) spectroscopy to find suitable intermediate states required for the state selective ionization process. We present the results of our LIF spectroscopy of ThF, and our current progress on efficient ThF ionization and on ThF^{+} dissociation.

Letter: Observation of the 16O/18O exchange during electrospray ionization.

PubMed

Kostyukevich, Yury; Kononikhin, Alexey; Popov, Igor; Nikolaev, Eugene

2015-01-01

Isotopic exchange approach coupled to high-resolution mass spectrometry has become the power analytical approach for a wide range of analytical and bioanalyticall applications. Considerable efforts have been dedicated to developing fast exchange techniques directly in the ionization source. But all such methods are limited to the hydrogen/deuterium exchange approaches. In this paper we demonstrate that certain types of oxygen atoms can also be exchanged for (18)O on the time scale of the ionization process. Using HIO(3) and NaIO(4) and by infusing the heavy water H(2)(18)O in the ESI source we have demonstrated that it is possible to obtain a high level of oxygen exchange. It was observed that the rate of this exchange depends to a large extent on the temperature of the desolvating capillary of the mass spectrometer. Several other species, such as peptides, oligonucleotides and low weight organic molecules, were subjected to in-ESI (16)O/(18)O exchange but the exchange was not observed.

Fundamentals of Biomolecule Analysis by Electrospray Ionization Mass Spectrometry

ERIC Educational Resources Information Center

Weinecke, Andrea; Ryzhov, Victor

2005-01-01

Electrospray ionization (ESI) is a soft ionization technique that allows transfer of fragile biomolecules directly from solution into the gas phase. An instrumental analysis laboratory experiment is designed that would introduce the students to the ESI technique, major parameters of the ion trap mass spectrometers and some caveats in…

Quantitation of mycotoxins using direct analysis in real time (DART)-mass spectrometry (MS)

USDA-ARS?s Scientific Manuscript database

Ambient ionization represents a new generation of mass spectrometry ion sources which is used for rapid ionization of small molecules under ambient conditions. The combination of ambient ionization and mass spectrometry allows analyzing multiple food samples with simple or no sample treatment, or in...

Direct analysis of triterpenes from high-salt fermented cucumbers using infrared matrix-assisted laser desorption electrospray ionization (IR-MALDESI)

USDA-ARS?s Scientific Manuscript database

High-salt samples present a challenge to mass spectrometry (MS) analysis, particularly when electrospray ionization (ESI) is used, requiring extensive sample preparation steps such as desalting, extraction, and purification. In this study, infrared matrix-assisted laser desorption electrospray ioniz...

Filamentation instability of a fast electron beam in a dielectric target.

PubMed

Debayle, A; Tikhonchuk, V T

2008-12-01

High-intensity laser-matter interaction is an efficient method for high-current relativistic electron beam production. At current densities exceeding a several kA microm{-2} , the beam propagation is maintained by an almost complete current neutralization by the target electrons. In such a geometry of two oppositely directed flows, beam instabilities can develop, depending on the target and the beam parameters. The present paper proposes an analytical description of the filamentation instability of an electron beam propagating through an insulator target. It is shown that the collisionless and resistive instabilities enter into competition with the ionization instability. This latter process is dominant in insulator targets where the field ionization by the fast beam provides free electrons for the neutralization current.

Photoionization in the time and frequency domain

NASA Astrophysics Data System (ADS)

Isinger, M.; Squibb, R. J.; Busto, D.; Zhong, S.; Harth, A.; Kroon, D.; Nandi, S.; Arnold, C. L.; Miranda, M.; Dahlström, J. M.; Lindroth, E.; Feifel, R.; Gisselbrecht, M.; L'Huillier, A.

2017-11-01

Ultrafast processes in matter, such as the electron emission after light absorption, can now be studied using ultrashort light pulses of attosecond duration (10-18 seconds) in the extreme ultraviolet spectral range. The lack of spectral resolution due to the use of short light pulses has raised issues in the interpretation of the experimental results and the comparison with theoretical calculations. We determine photoionization time delays in neon atoms over a 40-electron volt energy range with an interferometric technique combining high temporal and spectral resolution. We spectrally disentangle direct ionization from ionization with shake-up, in which a second electron is left in an excited state, and obtain excellent agreement with theoretical calculations, thereby solving a puzzle raised by 7-year-old measurements.

In-situ Probing of Radiation-induced Processing of Organics in Astrophysical Ice Analogs—Novel Laser Desorption Laser Ionization Time-of-flight Mass Spectroscopic Studies

NASA Astrophysics Data System (ADS)

Gudipati, Murthy S.; Yang, Rui

2012-09-01

Understanding the evolution of organic molecules in ice grains in the interstellar medium (ISM) under cosmic rays, stellar radiation, and local electrons and ions is critical to our understanding of the connection between ISM and solar systems. Our study is aimed at reaching this goal of looking directly into radiation-induced processing in these ice grains. We developed a two-color laser-desorption laser-ionization time-of-flight mass spectroscopic method (2C-MALDI-TOF), similar to matrix-assisted laser desorption and ionization time-of-flight (MALDI-TOF) mass spectroscopy. Results presented here with polycyclic aromatic hydrocarbon (PAH) probe molecules embedded in water-ice at 5 K show for the first time that hydrogenation and oxygenation are the primary chemical reactions that occur in astrophysical ice analogs when subjected to Lyα radiation. We found that hydrogenation can occur over several unsaturated bonds and the product distribution corresponds to their stabilities. Multiple hydrogenation efficiency is found to be higher at higher temperatures (100 K) compared to 5 K—close to the interstellar ice temperatures. Hydroxylation is shown to have similar efficiencies at 5 K or 100 K, indicating that addition of O atoms or OH radicals to pre-ionized PAHs is a barrierless process. These studies—the first glimpses into interstellar ice chemistry through analog studies—show that once accreted onto ice grains PAHs lose their PAH spectroscopic signatures through radiation chemistry, which could be one of the reason for the lack of PAH detection in interstellar ice grains, particularly the outer regions of cold, dense clouds or the upper molecular layers of protoplanetary disks.

Design of a secondary ionization target for direct production of a C- beam from CO2 pulses for online AMS.

PubMed

Salazar, Gary; Ognibene, Ted

2013-01-01

We designed and optimized a novel device "target" that directs a CO 2 gas pulse onto a Ti surface where a Cs + beam generates C - from the CO 2 . This secondary ionization target enables an accelerator mass spectrometer to ionize pulses of CO 2 in the negative mode to measure 14 C/ 12 C isotopic ratios in real time. The design of the targets were based on computational flow dynamics, ionization mechanism and empirical optimization. As part of the ionization mechanism, the adsorption of CO 2 on the Ti surface was fitted with the Jovanovic-Freundlich isotherm model using empirical and simulation data. The inferred adsorption constants were in good agreement with other works. The empirical optimization showed that amount of injected carbon and the flow speed of the helium carrier gas improve the ionization efficiency and the amount of 12 C - produced until reaching a saturation point. Linear dynamic range between 150 and 1000 ng of C and optimum carrier gas flow speed of around 0.1 mL/min were shown. It was also shown that the ionization depends on the area of the Ti surface and Cs + beam cross-section. A range of ionization efficiency of 1-2.5% was obtained by optimizing the described parameters.

A Radical-Mediated Pathway for the Formation of [M + H](+) in Dielectric Barrier Discharge Ionization.

PubMed

Wolf, Jan-Christoph; Gyr, Luzia; Mirabelli, Mario F; Schaer, Martin; Siegenthaler, Peter; Zenobi, Renato

2016-09-01

Active capillary plasma ionization is a highly efficient ambient ionization method. Its general principle of ion formation is closely related to atmospheric pressure chemical ionization (APCI). The method is based on dielectric barrier discharge ionization (DBDI), and can be constructed in the form of a direct flow-through interface to a mass spectrometer. Protonated species ([M + H](+)) are predominantly formed, although in some cases radical cations are also observed. We investigated the underlying ionization mechanisms and reaction pathways for the formation of protonated analyte ([M + H](+)). We found that ionization occurs in the presence and in the absence of water vapor. Therefore, the mechanism cannot exclusively rely on hydronium clusters, as generally accepted for APCI. Based on isotope labeling experiments, protons were shown to originate from various solvents (other than water) and, to a minor extent, from gaseous impurities and/or self-protonation. By using CO2 instead of air or N2 as plasma gas, additional species like [M + OH](+) and [M - H](+) were observed. These gas-phase reaction products of CO2 with the analyte (tertiary amines) indicate the presence of a radical-mediated ionization pathway, which proceeds by direct reaction of the ionized plasma gas with the analyte. The proposed reaction pathway is supported with density functional theory (DFT) calculations. These findings add a new ionization pathway leading to the protonated species to those currently known for APCI. Graphical Abstract ᅟ.

A study of directional instability during mitotic chromosome movement

NASA Astrophysics Data System (ADS)

Joglekar, Ajit P.

Mitotic chromosome movements are responsible for the correct segregation of duplicated chromosomes into the daughter cells. Errors in this process are known to play a role in some of the serious diseases such as cancer, and the little understood process of aging. A thorough comprehension of the physical basis of this process is therefore necessary. An intriguing aspect of chromosome movements during mitosis is "directional instability": runs with approximately constant speed punctuated by abrupt reversal in direction of motion. I have constructed a mechanistic model that views chromosome movement as a result of interplay between poleward and antipoleward or polar ejection forces (PEF) on a chromosome; and microtubule (MT) depolymerization-coupled movement of the chromosome. Computer simulations based on this model using a single set of parameters accurately and quantitatively predict: the force, character, speed, and duration of chromosome movements, oscillations of chromosomes associated with only one spindle pole, the larger force during anaphase, the effect of MT-depolymerizing drugs on chromosome movements, and the decreased turnover of kinetochore-MTs during anaphase. The model also predicts how chromosome behavior should respond to perturbations of the PEF. These predictions could be unequivocally tested if it were possible to destroy structures smaller than the light resolution limit with minimal collateral damage. To address these requirements, I developed a methodology for ultrahigh resolution microsurgery with tightly-focused, ultrafast lasers pulses. This entailed an in-depth study of optical breakdown in dielectrics. Characterization of the single pulse damage in test dielectric materials ranging from silicon and glass to cell walls and membranes has shown that in the target regions where the laser intensity exceeds critical intensity, optical breakdown proceeds by tunneling ionization followed by a runaway avalanche ionization that ends with the ionization of all the valence electrons. Highly reproducible features on the nanometer size-scale indicate that the valence electron density is the central factor determining the critical intensity, implying that high precision can be maintained in a wide range of solids. Along with the new understanding optical breakdown, this technique will find potential applications in diverse fields ranging from MEMS fabrication to nano-fluidics, as well as cellular nanosurgery.

Simultaneous resonant enhanced multiphoton ionization and electron avalanche ionization in gas mixtures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shneider, Mikhail N.; Zhang Zhili; Miles, Richard B.

2008-07-15

Resonant enhanced multiphoton ionization (REMPI) and electron avalanche ionization (EAI) are measured simultaneously in Ar:Xe mixtures at different partial pressures of mixture components. A simple theory for combined REMPI+EAI in gas mixture is developed. It is shown that the REMPI electrons seed the avalanche process, and thus the avalanche process amplifies the REMPI signal. Possible applications are discussed.

Sampling and analyte enrichment strategies for ambient mass spectrometry.

PubMed

Li, Xianjiang; Ma, Wen; Li, Hongmei; Ai, Wanpeng; Bai, Yu; Liu, Huwei

2018-01-01

Ambient mass spectrometry provides great convenience for fast screening, and has showed promising potential in analytical chemistry. However, its relatively low sensitivity seriously restricts its practical utility in trace compound analysis. In this review, we summarize the sampling and analyte enrichment strategies coupled with nine modes of representative ambient mass spectrometry (desorption electrospray ionization, paper vhspray ionization, wooden-tip spray ionization, probe electrospray ionization, coated blade spray ionization, direct analysis in real time, desorption corona beam ionization, dielectric barrier discharge ionization, and atmospheric-pressure solids analysis probe) that have dramatically increased the detection sensitivity. We believe that these advances will promote routine use of ambient mass spectrometry. Graphical abstract Scheme of sampling stretagies for ambient mass spectrometry.

The characteristics of a new negative metal ion beam source and its applications

NASA Astrophysics Data System (ADS)

Paik, Namwoong

2001-10-01

Numerous efforts at energetic thin film deposition processes using ion beams have been made to meet the demands of today's thin film industry. As one of these efforts, a new Magnetron Sputter Negative Ion Source (MSNIS) was developed. In this study, the development and the characterization of the MSNIS were investigated. Amorphous carbon films were used as a sample coating medium to evaluate the ion beam energy effect. A review of energetic Physical Vapor Deposition (PVD) techniques is presented in Chapter 1. The energetic PVD methods can be classified into two major categories: the indirect ion beam method Ion Beam Assisted Deposition (IBAD), and the direct ion beam method-Direct Ion Beam Deposition (DIBD). In this chapter, currently available DIBD processes such as Cathodic Arc, Laser Ablation, Ionized Physical Vapor Deposition (I-PVD) and Magnetron Sputter Negative Ion Source (MSNIS) are individually reviewed. The design and construction of the MSNIS is presented in chapter 2. The MSNIS is a hybrid of the conventional magnetron sputter configuration and the cesium surface ionizer. The negative sputtered ions are produced directly from the sputter target by surface ionization. In chapter 3, the ion beam and plasma characteristics of an 8″ diameter MSNIS are investigated using a retarding field analyzer and a cylindrical Langmuir Probe. The measured electron temperature is approximately 2-5 eV, while the plasma density and plasma potential were of the order of 10 11-1012 cm3 and 5-20 V, respectively, depending on the pressure and power. In chapter 4, in order to evaluate the effect of the ion beam on the resultant films, amorphous carbon films were deposited under various conditions. The structure of carbon films was investigated using Raman spectroscopy and X-ray photoelectron spectroscopy (XPS). The result suggests the fraction of spa bonding is more than 70% in some samples prepared by MSNIS while magnetron sputtered samples showed less than 30%. (Abstract shortened by UMI.)

Characterization of direct-current atmospheric-pressure discharges useful for ambient desorption/ionization mass spectrometry.

PubMed

Shelley, Jacob T; Wiley, Joshua S; Chan, George C Y; Schilling, Gregory D; Ray, Steven J; Hieftje, Gary M

2009-05-01

Two relatively new ambient ionization sources, direct analysis in real time (DART) and the flowing atmospheric-pressure afterglow (FAPA), use direct current, atmospheric-pressure discharges to produce reagent ions for the direct ionization of a sample. Although at a first glance these two sources appear similar, a fundamental study reveals otherwise. Specifically, DART was found to operate with a corona-to-glow transition (C-G) discharge whereas the FAPA was found to operate with a glow-to-arc transition (G-A) discharge. The characteristics of both discharges were evaluated on the basis of four factors: reagent-ion production, response to a model analyte (ferrocene), infrared (IR) thermography of the gas used for desorption and ionization, and spatial emission characteristics. The G-A discharge produced a greater abundance and a wider variety of reagent ions than the C-G discharge. In addition, the discharges yielded different adducts and signal strengths for ferrocene. It was also found that the gas exiting the discharge chamber reached a maximum of 235 degrees C and 55 degrees C for the G-A and C-G discharges, respectively. Finally, spatially resolved emission maps of both discharges showed clear differences for N(2)(+) and O(I). These findings demonstrate that the discharges used by FAPA and DART are fundamentally different and should have different optimal applications for ambient desorption/ionization mass spectrometry (ADI-MS).

A compact plasma pre-ionized TEA-CO2 laser pulse clipper for material processing

NASA Astrophysics Data System (ADS)

Gasmi, Taieb

2017-08-01

An extra-laser cavity CO2-TEA laser pulse clipper using gas breakdown techniques for high spatial resolution material processing and shallow material engraving and drilling processes is presented. Complete extinction of the nitrogen tail, that extends the pulse width, is obtained at pressures from 375 up to 1500 torr for nitrogen and argon gases. Excellent energy stability and pulse repeatability were further enhanced using high voltage assisted preionized plasma gas technique. Experimental data illustrates the direct correlation between laser pulse width and depth of engraving in aluminum and alumina materials.

Double ionization in R -matrix theory using a two-electron outer region

NASA Astrophysics Data System (ADS)

Wragg, Jack; Parker, J. S.; van der Hart, H. W.

2015-08-01

We have developed a two-electron outer region for use within R -matrix theory to describe double ionization processes. The capability of this method is demonstrated for single-photon double ionization of He in the photon energy region between 80 and 180 eV. The cross sections are in agreement with established data. The extended R -matrix with time dependence method also provides information on higher-order processes, as demonstrated by the identification of signatures for sequential double ionization processes involving an intermediate He+ state with n =2 .

Ion thrusting system

NASA Technical Reports Server (NTRS)

Hartley, Frank T. (Inventor)

2007-01-01

An ion thrusting system is disclosed comprising an ionization membrane having at least one area through which a gas is passed, and which ionizes the gas molecules passing therethrough to form ions and electrons, and an accelerator element which accelerates the ions to form thrust. In some variations, a potential is applied to the ionization membrane may be reversed to thrust ions in an opposite direction. The ionization membrane may also include an opening with electrodes that are located closer than a mean free path of the gas being ionized. Methods of manufacture and use are also provided.

Separation of Opiate Isomers Using Electrospray Ionization and Paper Spray Coupled to High-Field Asymmetric Waveform Ion Mobility Spectrometry

NASA Astrophysics Data System (ADS)

Manicke, Nicholas E.; Belford, Michael

2015-05-01

One limitation in the growing field of ambient or direct analysis methods is reduced selectivity caused by the elimination of chromatographic separations prior to mass spectrometric analysis. We explored the use of high-field asymmetric waveform ion mobility spectrometry (FAIMS), an ambient pressure ion mobility technique, to separate the closely related opiate isomers of morphine, hydromorphone, and norcodeine. These isomers cannot be distinguished by tandem mass spectrometry. Separation prior to MS analysis is, therefore, required to distinguish these compounds, which are important in clinical chemistry and toxicology. FAIMS was coupled to a triple quadrupole mass spectrometer, and ionization was performed using either a pneumatically assisted heated electrospray ionization source (H-ESI) or paper spray, a direct analysis method that has been applied to the direct analysis of dried blood spots and other complex samples. We found that FAIMS was capable of separating the three opiate structural isomers using both H-ESI and paper spray as the ionization source.

29 CFR 570.57 - Exposure to radioactive substances and to ionizing radiations (Order 6).

Code of Federal Regulations, 2010 CFR

2010-07-01

... produce ionizations directly or indirectly, but does not include electromagnetic radiations other than... radiations (Order 6). 570.57 Section 570.57 Labor Regulations Relating to Labor (Continued) WAGE AND HOUR... to Their Health or Well-Being § 570.57 Exposure to radioactive substances and to ionizing radiations...

Analysis of Compounds Dissolved in Nonpolar Solvents by Electrospray Ionization on Conductive Nanomaterials

NASA Astrophysics Data System (ADS)

Xia, Bing; Gao, Yuanji; Ji, Baocheng; Ma, Fengwei; Ding, Lisheng; Zhou, Yan

2018-03-01

Electrospray ionization mass spectrometry (ESI-MS) technique has limitations in analysis of compounds that are dissolved in nonpolar solvents. In this study, ambient ionization of compounds in solvents that are not "friendly" to electrospray ionization, such as n-hexane, is achieved by conductive nanomaterials spray ionization (CNMSI) on nanomaterial emitters, including carbon nanotubes paper and mesodendritic silver covered metal, which applies high voltages to emitters made of these materials without the assistance of polar solvents. Although the time intensity curves (TIC) commonly vary from 4.5% to 23.7% over analyses, protonated molecular ions were found to be the most abundant species, demonstrating good reproducibility of the technique in terms of ionized species. Higher mass spectrometric responses are observed in analyzing nonpolar systems than polar systems. 2-Methoxyacetophenone, 4-methylacetophenone, benzothiazole, quinolone, and cycloheptanone as low as 2 pg in n-hexane can be directly detected using the developed method. The developed technique expands the analysis capability of ESI-MS for direct, online analysis of nonpolar systems, such as low polarity extracts, normal phase liquid chromatography eluates, and synthetic mixtures. [Figure not available: see fulltext.

Development Status of the Helicon Hall Thruster

DTIC Science & Technology

2009-09-15

Hall thruster , the Helicon Hall Thruster , is presented. The Helicon Hall Thruster combines the efficient ionization mechanism of a helicon source with the favorable plasma acceleration properties of a Hall thruster . Conventional Hall thrusters rely on direct current electron bombardment to ionize the flow in order to generate thrust. Electron bombardment typically results in an ionization cost that can be on the order of ten times the ionization potential, leading to reduced efficiency, particularly at low

In Situ Geochemical Analysis and Age Dating of Rocks Using Laser Ablation-Miniature Mass Spectrometer

NASA Technical Reports Server (NTRS)

Sinha, Mahadeva P.; Hecht, Michael H.; Hurowitz, Joel A.

2012-01-01

A miniaturized instrument for performing chemical and isotopic analysis of rocks has been developed. The rock sample is ablated by a laser and the neutral species produced are analyzed using the JPL-invented miniature mass spectrometer. The direct sampling of neutral ablated material and the simultaneous measurement of all the elemental and isotopic species are the novelties of this method. In this laser ablation-miniature mass spectrometer (LA-MMS) method, the ablated neutral atoms are led into the electron impact ionization source of the MMS, where they are ionized by a 70-eV electron beam. This results in a secondary ion pulse typically 10-100 microsecond wide, compared to the original 5-10-nanosecond laser pulse duration. Ions of different masses are then spatially dispersed along the focal plane of the magnetic sector of the miniature mass spectrometer and measured in parallel by a modified CCD (charge-coupled device) array detector capable of detecting ions directly. Compared to conventional scanning techniques, simultaneous measurement of the ion pulse along the focal plane effectively offers a 100% duty cycle over a wide mass range. LAMMS offers a more quantitative assessment of elemental composition than techniques that detect laser-ionized species produced directly in the ablation process because the latter can be strongly influenced by matrix effects that vary with the structure and geometry of the surface, the laser beam, and the ionization energies of the elements. The measurement of high-precision isotopic ratios and elemental composition of different rock minerals by LAMMS method has been demonstrated. The LA-MMS can be applied for the absolute age determination of rocks. There is no such instrument available presently in a miniaturized version that can be used for NASA space missions. Work is in progress in the laboratory for geochronology of rocks using LA-MMS that is based on K-Ar radiogenic dating technique.

Direct Simulation of Reentry Flows with Ionization

NASA Technical Reports Server (NTRS)

Carlson, Ann B.; Hassan, H. A.

1989-01-01

The Direct Simulation Monte Carlo (DSMC) method is applied in this paper to the study of rarefied, hypersonic, reentry flows. The assumptions and simplifications involved with the treatment of ionization, free electrons and the electric field are investigated. A new method is presented for the calculation of the electric field and handling of charged particles with DSMC. In addition, a two-step model for electron impact ionization is implemented. The flow field representing a 10 km/sec shock at an altitude of 65 km is calculated. The effects of the new modeling techniques on the calculation results are presented and discussed.

A comparison between DART-MS and DSA-MS in the forensic analysis of writing inks.

PubMed

Drury, Nicholas; Ramotowski, Robert; Moini, Mehdi

2018-05-23

Ambient ionization mass spectrometry is gaining momentum in forensic science laboratories because of its high speed of analysis, minimal sample preparation, and information-rich results. One such application of ambient ionization methodology includes the analysis of writing inks from questioned documents where colorants of interest may not be soluble in common solvents, rendering thin layer chromatography (TLC) and separation-mass spectrometry methods such as LC/MS (-MS) impractical. Ambient ionization mass spectrometry uses a variety of ionization techniques such as penning ionization in Direct Analysis in Real Time (DART), and atmospheric pressure chemical ionization in Direct Sample Analysis (DSA), and electrospray ionization in Desorption Electrospray Ionization (DESI). In this manuscript, two of the commonly used ambient ionization techniques are compared: Perkin Elmer DSA-MS and IonSense DART in conjunction with a JEOL AccuTOF MS. Both technologies were equally successful in analyzing writing inks and produced similar spectra. DSA-MS produced less background signal likely because of its closed source configuration; however, the open source configuration of DART-MS provided more flexibility for sample positioning for optimum sensitivity and thereby allowing smaller piece of paper containing writing ink to be analyzed. Under these conditions, the minimum sample required for DART-MS was 1mm strokes of ink on paper, whereas DSA-MS required a minimum of 3mm. Moreover, both techniques showed comparable repeatability. Evaluation of the analytical figures of merit, including sensitivity, linear dynamic range, and repeatability, for DSA-MS and DART-MS analysis is provided. To the forensic context of the technique, DART-MS was applied to the analysis of United States Secret Service ink samples directly on a sampling mesh, and the results were compared with DSA-MS of the same inks on paper. Unlike analysis using separation mass spectrometry, which requires sample preparation, both DART-MS and DSA-MS successfully analyzed writing inks with minimal sample preparation. Copyright © 2018 Elsevier B.V. All rights reserved.

Experimental Evidence for Wigner’s Tunneling Time

NASA Astrophysics Data System (ADS)

Camus, N.; Yakaboylu, E.; Fechner, L.; Klaiber, M.; Laux, M.; Mi, Y.; Hatsagortsyan, K. Z.; Pfeifer, T.; Keitel, C. H.; Moshammer, R.

2018-04-01

Tunneling of a particle through a barrier is one of the counter-intuitive properties of quantum mechanical motion. Thanks to advances in the generation of strong laser fields, new opportunities to dynamically investigate this process have been developed. In the so-called attoclock measurements the electron’s properties after tunneling are mapped on its emission direction. We investigate the tunneling dynamics and achieve a high sensitivity thanks to two refinements of the attoclock principle. Using near-IR wavelength we place firmly the ionization process in the tunneling regime. Furthermore, we compare the electron momentum distributions of two atomic species of slightly different atomic potentials (argon and krypton) being ionized under absolutely identical conditions. Experimentally, using a reaction microscope, we succeed in measuring the 3D electron momentum distributions for both targets simultaneously. Theoretically, the time resolved description of tunneling in strong-field ionization is studied using the leading quantum-mechanical Wigner treatment. A detailed analysis of the most probable photoelectron emission for Ar and Kr allows testing the theoretical models and a sensitive check of the electron initial conditions at the tunnel exit. The agreement between experiment and theory provides a clear evidence for a non-zero tunneling time delay and a non-vanishing longitudinal momentum at this point.

Double proton transfer behavior and one-electron oxidation effect in double H-bonded glycinamide-formic acid complex.

PubMed

Li, Ping; Bu, Yuxiang

2004-11-22

The behavior of double proton transfer occurring in a representative glycinamide-formic acid complex has been investigated at the B3LYP/6-311 + + G( * *) level of theory. Thermodynamic and, especially, kinetic parameters, such as tautomeric energy, equilibrium constant, and barrier heights have been discussed, respectively. The relevant quantities involved in the double proton transfer process, such as geometrical changes, interaction energies, and intrinsic reaction coordinate calculations have also been studied. Computational results show that the participation of a formic acid molecule favors the proceeding of the proton transfer for glycinamide compared with that without mediate-assisted case. The double proton transfer process proceeds with a concerted mechanism rather than a stepwise one since no ion-pair complexes have been located during the proton transfer process. The calculated barrier heights are 11.48 and 0.85 kcal/mol for the forward and reverse directions, respectively. However, both of them have been reduced by 2.95 and 2.61 kcal/mol to 8.53 and -1.76 kcal/mol if further inclusion of zero-point vibrational energy corrections, where the negative barrier height implies that the reverse reaction should proceed with barrierless spontaneously, analogous to that occurring between glycinamide and formamide. Furthermore, solvent effects on the thermodynamic and kinetic processes have also been predicted qualitatively employing the isodensity surface polarized continuum model within the framework of the self-consistent reaction field theory. Additionally, the oxidation process for the double H-bonded glycinamide-formic acid complex has also been investigated. Contrary to that neutral form possessing a pair of two parallel intermolecular H bonds, only a single H bond with a comparable strength has been found in its ionized form. The vertical and adiabatic ionization potentials for the neutral complex have been determined to be about 9.40 and 8.69 eV, respectively, where ionization is mainly localized on the glycinamide fragment. Like that ionized glycinamide-formamide complex, the proton transfer in the ionized complex is characterized by a single-well potential, implying that the proton initially attached to amide N4 in the glycinamide fragment cannot be transferred to carbonyl O13 in the formic acid fragment at the geometry of the optimized complex. Copyright 2004 American Institute of Physics.

Aqueous Processing of Atmospheric Organic Particles in Cloud Water Collected via Aircraft Sampling.

PubMed

Boone, Eric J; Laskin, Alexander; Laskin, Julia; Wirth, Christopher; Shepson, Paul B; Stirm, Brian H; Pratt, Kerri A

2015-07-21

Cloudwater and below-cloud atmospheric particle samples were collected onboard a research aircraft during the Southern Oxidant and Aerosol Study (SOAS) over a forested region of Alabama in June 2013. The organic molecular composition of the samples was studied to gain insights into the aqueous-phase processing of organic compounds within cloud droplets. High resolution mass spectrometry (HRMS) with nanospray desorption electrospray ionization (nano-DESI) and direct infusion electrospray ionization (ESI) were utilized to compare the organic composition of the particle and cloudwater samples, respectively. Isoprene and monoterpene-derived organosulfates and oligomers were identified in both the particles and cloudwater, showing the significant influence of biogenic volatile organic compound oxidation above the forested region. While the average O:C ratios of the organic compounds were similar between the atmospheric particle and cloudwater samples, the chemical composition of these samples was quite different. Specifically, hydrolysis of organosulfates and formation of nitrogen-containing compounds were observed for the cloudwater when compared to the atmospheric particle samples, demonstrating that cloud processing changes the composition of organic aerosol.

Aqueous Processing of Atmospheric Organic Particles in Cloud Water Collected via Aircraft Sampling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boone, Eric J.; Laskin, Alexander; Laskin, Julia

2015-07-21

Cloud water and below-cloud atmospheric particle samples were collected onboard a research aircraft during the Southern Oxidant and Aerosol Study (SOAS) over a forested region of Alabama in June 2013. The organic molecular composition of the samples was studied to gain insights into the aqueous-phase processing of organic compounds within cloud droplets. High resolution mass spectrometry with nanospray desorption electrospray ionization and direct infusion electrospray ionization were utilized to compare the organic composition of the particle and cloud water samples, respectively. Isoprene and monoterpene-derived organosulfates and oligomers were identified in both the particles and cloud water, showing the significant influencemore » of biogenic volatile organic compound oxidation above the forested region. While the average O:C ratios of the organic compounds were similar between the atmospheric particle and cloud water samples, the chemical composition of these samples was quite different. Specifically, hydrolysis of organosulfates and formation of nitrogen-containing compounds were observed for the cloud water when compared to the atmospheric particle samples, demonstrating that cloud processing changes the composition of organic aerosol.« less

Physical Processes and Applications of the Monte Carlo Radiative Energy Deposition (MRED) Code

NASA Astrophysics Data System (ADS)

Reed, Robert A.; Weller, Robert A.; Mendenhall, Marcus H.; Fleetwood, Daniel M.; Warren, Kevin M.; Sierawski, Brian D.; King, Michael P.; Schrimpf, Ronald D.; Auden, Elizabeth C.

2015-08-01

MRED is a Python-language scriptable computer application that simulates radiation transport. It is the computational engine for the on-line tool CRÈME-MC. MRED is based on c++ code from Geant4 with additional Fortran components to simulate electron transport and nuclear reactions with high precision. We provide a detailed description of the structure of MRED and the implementation of the simulation of physical processes used to simulate radiation effects in electronic devices and circuits. Extensive discussion and references are provided that illustrate the validation of models used to implement specific simulations of relevant physical processes. Several applications of MRED are summarized that demonstrate its ability to predict and describe basic physical phenomena associated with irradiation of electronic circuits and devices. These include effects from single particle radiation (including both direct ionization and indirect ionization effects), dose enhancement effects, and displacement damage effects. MRED simulations have also helped to identify new single event upset mechanisms not previously observed by experiment, but since confirmed, including upsets due to muons and energetic electrons.

Probing galaxy growth through metallicity scaling relations over the past 12 Gyr of cosmic history

NASA Astrophysics Data System (ADS)

Sanders, Ryan; MOSDEF team

2018-01-01

A primary goal of galaxy evolution studies is to understand the processes governing the growth of the baryonic content of galaxies over cosmic history. Observations of galaxy metallicity scaling relations and their evolution with redshift, in combination with chemical evolution models, provide unique insight into the interplay between star formation, gas accretion, and feedback/outflows. I present measurements of the stellar mass-gas phase metallicity relation and its evolution over the past 12 Gyr from z~0 to z~3.5, utilizing data from the Mosfire Deep Evolution Field survey that uniquely provides rest-frame optical spectra of >1000 uniformly-selected galaxies at z=1.3-3.8. We find evolution towards lower metallicity at fixed stellar mass with increasing redshift that is consistent with current cosmological simulations including chemical evolution, with a large evolution of ~0.3 dex from z~0 to z~2.5 and minor evolution of <0.1 dex from z~2.5 to z~3.5. We unambiguously confirm the existence of star-formation rate dependence of the mass-metallicity relation at high redshift for the first time. A clear view of cosmic chemical evolution requires accounting for systematic biases in galaxy metallicity measurements at both low and high redshifts. We use a set of empirically-based models to correct for diffuse ionized gas contamination that biases metallicity estimates from z~0 global galaxy spectra. Evolving properties of ionized gas such as electron density, ionization parameter, hardness of the ionizing spectrum, and chemical abundance patterns may render locally-calibrated metallicity estimators unreliable at high redshifts. Using strong-line ratios alone, it is extremely difficult to break degenerate solutions between pure metallicity evolution and additional evolution of the ionization parameter and/or shape of the ionizing spectrum. Temperature-sensitive auroral-line measurements provide a way to directly and independently measure metallicities, breaking these degeneracies. We present measurements of auroral [OIII]4363 and direct-method metallicities at z>2, and discuss the potential of current and next-generation observational facilities to obtain statistical auroral-line samples at high redshifts.

Full-Scale Model of Subionospheric VLF Signal Propagation Based on First-Principles Charged Particle Transport Calculations

NASA Astrophysics Data System (ADS)

Kouznetsov, A.; Cully, C. M.; Knudsen, D. J.

2016-12-01

Changes in D-Region ionization caused by energetic particle precipitation are monitored by the Array for Broadband Observations of VLF/ELF Emissions (ABOVE) - a network of receivers deployed across Western Canada. The observed amplitudes and phases of subionospheric-propagating VLF signals from distant artificial transmitters depend sensitively on the free electron population created by precipitation of energetic charged particles. Those include both primary (electrons, protons and heavier ions) and secondary (cascades of ionized particles and electromagnetic radiation) components. We have designed and implemented a full-scale model to predict the received VLF signals based on first-principle charged particle transport calculations coupled to the Long Wavelength Propagation Capability (LWPC) software. Calculations of ionization rates and free electron densities are based on MCNP-6 (a general-purpose Monte Carlo N- Particle) software taking advantage of its capability of coupled neutron/photon/electron transport and novel library of cross-sections for low-energetic electron and photon interactions with matter. Cosmic ray calculations of background ionization are based on source spectra obtained both from PAMELA direct Cosmic Rays spectra measurements and based on the recently-implemented MCNP 6 galactic cosmic-ray source, scaled using our (Calgary) neutron monitor measurement results. Conversion from calculated fluxes (MCNP F4 tallies) to ionization rates for low-energy electrons are based on the total ionization cross-sections for oxygen and nitrogen molecules from the National Institute of Standard and Technology. We use our model to explore the complexity of the physical processes affecting VLF propagation.

Impact Ionization: Beyond the Golden Rule

DTIC Science & Technology

1992-01-01

3]. Hence, the use electronic kinetic energy, H. is the phonon bath Hamil- of Monte Carlo methods combined with density matrix tonian, HA, is the...0 o5 () Wace i.a (bN w...,,,ae (W ( Ib) k- Figure 2. (a) Ionization rate in the 1 11 > direction. Figure 3. (a) Equal ionization rate curves in the k

Direct Detection of Fungal Siderophores on Bats with White-Nose Syndrome via Fluorescence Microscopy-Guided Ambient Ionization Mass Spectrometry

PubMed Central

Mascuch, Samantha J.; Moree, Wilna J.; Hsu, Cheng-Chih; Turner, Gregory G.; Cheng, Tina L.; Blehert, David S.; Kilpatrick, A. Marm; Frick, Winifred F.; Meehan, Michael J.; Dorrestein, Pieter C.; Gerwick, Lena

2015-01-01

White-nose syndrome (WNS) caused by the pathogenic fungus Pseudogymnoascus destructans is decimating the populations of several hibernating North American bat species. Little is known about the molecular interplay between pathogen and host in this disease. Fluorescence microscopy ambient ionization mass spectrometry was used to generate metabolic profiles from the wings of both healthy and diseased bats of the genus Myotis. Fungal siderophores, molecules that scavenge iron from the environment, were detected on the wings of bats with WNS, but not on healthy bats. This work is among the first examples in which microbial molecules are directly detected from an infected host and highlights the ability of atmospheric ionization methodologies to provide direct molecular insight into infection. PMID:25781976

Direct detection of fungal siderophores on bats with white-nose syndrome via fluorescence microscopy-guided ambient ionization mass spectrometry

USGS Publications Warehouse

Mascuch, Samantha J.; Moree, Wilna J.; Cheng-Chih Hsu, Cheng-Chih; Turner, Gregory G.; Cheng, Tina L.; Blehert, David S.; Kilpatrick, A. Marm; Frick, Winifred F.; Meehan, Michael J.; Dorrestein, Pieter C.; Gerwick, Lena

2015-01-01

White-nose syndrome (WNS) caused by the pathogenic fungus Pseudogymnoascus destructans is decimating the populations of several hibernating North American bat species. Little is known about the molecular interplay between pathogen and host in this disease. Fluorescence microscopy ambient ionization mass spectrometry was used to generate metabolic profiles from the wings of both healthy and diseased bats of the genus Myotis. Fungal siderophores, molecules that scavenge iron from the environment, were detected on the wings of bats with WNS, but not on healthy bats. This work is among the first examples in which microbial molecules are directly detected from an infected host and highlights the ability of atmospheric ionization methodologies to provide direct molecular insight into infection.

About mobility thickness dependence in molecularly doped polymers

NASA Astrophysics Data System (ADS)

Tyutnev, A. P.; Weiss, D. S.; Saenko, V. S.; Pozhidaev, E. D.

2017-09-01

We have investigated the dependence of hole mobility on thickness in free-standing films of bisphenol-A-polycarbonate (PC) doped with 30 wt% p-diethylaminobenzaldehyde diphenylhydrazone (DEH). Carrier generation in a time-of-flight (TOF) experiment was achieved through direct ionization of dopant molecules by electron impact using an electron gun supplying pulses of monoenergetic electrons in the range of 2-50 keV. The position of dopant ionization depends upon the electron energy and three TOF variants have been recently developed and used in this study. We have found that the hole mobility generally decreased with increasing film thickness with concomitant acceleration of the post-flight current decay indicating that the transport process approaches the steady-state regime, this process happening slightly faster than our model predicts. Numerical calculations have been compared with experimental data. The results are discussed in detail. The way to reconcile ostensibly contradictory interpretations of our results and those commonly reported in literature relying on photo injection technique has been proposed.

Molecular Data for a Biochemical Model of DNA Radiation Damage: Electron Impact Ionization and Dissociative Ionization of DNA Bases and Sugar-Phosphate Backbone

NASA Technical Reports Server (NTRS)

Dateo, Christopher E.; Fletcher, Graham D.

2004-01-01

As part of the database for building up a biochemical model of DNA radiation damage, electron impact ionization cross sections of sugar-phosphate backbone and DNA bases have been calculated using the improved binary-encounter dipole (iBED) model. It is found that the total ionization cross sections of C3'- and C5'-deoxyribose-phospate, two conformers of the sugar-phosphate backbone, are close to each other. Furthermore, the sum of the ionization cross sections of the separate deoxyribose and phosphate fragments is in close agreement with the C3'- and C5'-deoxyribose-phospate cross sections, differing by less than 10%. Of the four DNA bases, the ionization cross section of guanine is the largest, then in decreasing order, adenine, thymine, and cytosine. The order is in accordance with the known propensity of oxidation of the bases by ionizing radiation. Dissociative ionization (DI), a process that both ionizes and dissociates a molecule, is investigated for cytosine. The DI cross section for the formation of H and (cytosine-Hl)(+), with the cytosine ion losing H at the 1 position, is also reported. The threshold of this process is calculated to be 17.1 eV. Detailed analysis of ionization products such as in DI is important to trace the sequential steps in the biochemical process of DNA damage.

The dependence on optical energy of terahertz emission from air plasma induced by two-color femtosecond laser-pulses

NASA Astrophysics Data System (ADS)

Wu, Si-Qing; Liu, Jin-Song; Wang, Sheng-Lie; Hu, Bing

2013-10-01

The generation of terahertz (THz) emission from air plasma induced by two-color femtosecond laser pulses is studied on the basis of a transient photocurrent model. While the gas is ionized by the two-color femtosecond laser-pulses composed of the fundamental and its second harmonic, a non-vanishing directional photoelectron current emerges, radiating a THz electromagnetic pulse. The gas ionization processes at three different laser-pulse energies are simulated, and the corresponding THz waveforms and spectra are plotted. The results demonstrate that, by keeping the laser-pulse width and the relative phase between two pulses invariant when the laser energy is at a moderate value, the emitted THz fields are significantly enhanced with a near-linear dependence on the optical energy.

Reversal electron attachment ionizer for detection of trace species

NASA Technical Reports Server (NTRS)

Bernius, Mark T. (Inventor); Chutjian, Ara (Inventor)

1990-01-01

An in-line reversal electron, high-current ionizer capable of focusing a beam of electrons to a reversal region and executing a reversal of said electrons, such that the electrons possess zero kinetic energy at the point of reversal, may be used to produce both negative and positive ions. A sample gas is introduced at the point of electron reversal for low energy electron-(sample gas) molecule attachment with high efficiency. The attachment process produces negative ions from the sample gas, which includes species present in trace (minute) amounts. These ions are extracted efficiently and directed to a mass analyzer where they may be detected and identified. The generation and detection of positive ions is accomplished in a similar fashion with minimal adjustment to potentials applied to the apparatus.

Reversal electron attachment ionizer for detection of trace species

NASA Technical Reports Server (NTRS)

Bernius, Mark T. (Inventor); Chutjian, Ara (Inventor)

1989-01-01

An in-line reversal electron, high-current ionizer capable of focusing a beam of electrons to a reversal region and executing a reversal of the electrons, such that the electrons possess zero kinetic energy at the point of reversal, may be used to produce both negative and positive ions. A sample gas is introduced at the point of electron reversal for low energy electron-(sample gas) molecule attachment with high efficiency. The attachment process produces negative ions from the sample gas, which includes species present in trace (minute) amounts. These ions are extracted efficiently and directed to a mass analyzer where they may be detected and identified. The generation and detection of positive ions is accomplished in a similar fashion with minimal adjustment to potentials applied to the apparatus.

Intact and Top-Down Characterization of Biomolecules and Direct Analysis Using Infrared Matrix-Assisted Laser Desorption Electrospray Ionization Coupled to FT-ICR Mass Spectrometry

PubMed Central

Sampson, Jason S.; Murray, Kermit K.; Muddiman, David C.

2013-01-01

We report the implementation of an infrared laser onto our previously reported matrix-assisted laser desorption electrospray ionization (MALDESI) source with ESI post-ionization yielding multiply charged peptides and proteins. Infrared (IR)-MALDESI is demonstrated for atmospheric pressure desorption and ionization of biological molecules ranging in molecular weight from 1.2 to 17 kDa. High resolving power, high mass accuracy single-acquisition Fourier transform ion cyclotron resonance (FT-ICR) mass spectra were generated from liquid-and solid-state peptide and protein samples by desorption with an infrared laser (2.94 µm) followed by ESI post-ionization. Intact and top-down analysis of equine myoglobin (17 kDa) desorbed from the solid state with ESI post-ionization demonstrates the sequencing capabilities using IR-MALDESI coupled to FT-ICR mass spectrometry. Carbohydrates and lipids were detected through direct analysis of milk and egg yolk using both UV- and IR-MALDESI with minimal sample preparation. Three of the four classes of biological macromolecules (proteins, carbohydrates, and lipids) have been ionized and detected using MALDESI with minimal sample preparation. Sequencing of O-linked glycans, cleaved from mucin using reductive β-elimination chemistry, is also demonstrated. PMID:19185512

Iron oxide nanomatrix facilitating metal ionization in matrix-assisted laser desorption/ionization mass spectrometry.

PubMed

Obena, Rofeamor P; Lin, Po-Chiao; Lu, Ying-Wei; Li, I-Che; del Mundo, Florian; Arco, Susan dR; Nuesca, Guillermo M; Lin, Chung-Chen; Chen, Yu-Ju

2011-12-15

The significance and epidemiological effects of metals to life necessitate the development of direct, efficient, and rapid method of analysis. Taking advantage of its simple, fast, and high-throughput features, we present a novel approach to metal ion detection by matrix-functionalized magnetic nanoparticle (matrix@MNP)-assisted MALDI-MS. Utilizing 21 biologically and environmentally relevant metal ion solutions, the performance of core and matrix@MNP against conventional matrixes in MALDI-MS and laser desorption ionization (LDI) MS were systemically tested to evaluate the versatility of matrix@MNP as ionization element. The matrix@MNPs provided 20- to >100-fold enhancement on detection sensitivity of metal ions and unambiguous identification through characteristic isotope patterns and accurate mass (<5 ppm), which may be attributed to its multifunctional role as metal chelator, preconcentrator, absorber, and reservoir of energy. Together with the comparison on the ionization behaviors of various metals having different ionization potentials (IP), we formulated a metal ionization mechanism model, alluding to the role of exciton pooling in matrix@MNP-assisted MALDI-MS. Moreover, the detection of Cu in spiked tap water demonstrated the practicability of this new approach as an efficient and direct alternative tool for fast, sensitive, and accurate determination of trace metal ions in real samples.

On the SIMS Ionization Probability of Organic Molecules.

PubMed

Popczun, Nicholas J; Breuer, Lars; Wucher, Andreas; Winograd, Nicholas

2017-06-01

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 (C 24 H 12 ), 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 C 60 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 .

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.

Experimental optimization of directed field ionization

NASA Astrophysics Data System (ADS)

Liu, Zhimin Cheryl; Gregoric, Vincent C.; Carroll, Thomas J.; Noel, Michael W.

2017-04-01

The state distribution of an ensemble of Rydberg atoms is commonly measured using selective field ionization. The resulting time resolved ionization signal from a single energy eigenstate tends to spread out due to the multiple avoided Stark level crossings atoms must traverse on the way to ionization. The shape of the ionization signal can be modified by adding a perturbation field to the main field ramp. Here, we present experimental results of the manipulation of the ionization signal using a genetic algorithm. We address how both the genetic algorithm and the experimental parameters were adjusted to achieve an optimized result. This work was supported by the National Science Foundation under Grants No. 1607335 and No. 1607377.

Impact of volume and surface processes on the pre-ionization of dielectric barrier discharges: advanced diagnostics and fluid modeling

NASA Astrophysics Data System (ADS)

Nemschokmichal, Sebastian; Tschiersch, Robert; Höft, Hans; Wild, Robert; Bogaczyk, Marc; Becker, Markus M.; Loffhagen, Detlef; Stollenwerk, Lars; Kettlitz, Manfred; Brandenburg, Ronny; Meichsner, Jürgen

2018-05-01

The phenomenology and breakdown mechanism of dielectric barrier discharges are strongly determined by volume and surface memory effects. In particular, the pre-ionization provided by residual species in the volume or surface charges on the dielectrics influences the breakdown behavior of filamentary and diffuse discharges. This was investigated by advanced diagnostics such as streak camera imaging, laser photodetachment of negative ions and laser photodesorption of electrons from dielectric surfaces in correlation with 1D fluid modeling. The streak camera images show that an increasing number of residual charges in the volume changes the microdischarge breakdown in air-like gas mixtures from a cathode-directed streamer to a simultaneous propagation of cathode- and anode-directed streamers. In contrast, seed electrons are important for the pre-ionization if the density of residual charges in the volume is low. One source of seed electrons are negative ions, whose density exceeds the electron density during the pre-phase of diffuse helium-oxygen barrier discharges as indicated by the laser photodetachment experiments. Electrons desorbed from the cathodic dielectric have an even larger influence. They induce a transition from the glow-like to the Townsend-like discharge mode in nominally pure helium. Apart from analyzing the importance of the pre-ionization for the breakdown mechanism, the opportunities for manipulating the lateral structure and discharge modes are discussed. For this purpose, the intensity and diameter of a diffuse discharge in helium are controlled by an illuminated semiconducting barrier. Contribution to the Topical Issue "Fundamentals of Complex Plasmas", edited by Jürgen Meichsner, Michael Bonitz, Holger Fehske, Alexander Piel.

Schinus terebinthifolius scale-up countercurrent chromatography (Part I): High performance countercurrent chromatography fractionation of triterpene acids with off-line detection using atmospheric pressure chemical ionization mass spectrometry.

PubMed

Vieira, Mariana Neves; Costa, Fernanda das Neves; Leitão, Gilda Guimarães; Garrard, Ian; Hewitson, Peter; Ignatova, Svetlana; Winterhalter, Peter; Jerz, Gerold

2015-04-10

'Countercurrent chromatography' (CCC) is an ideal technique for the recovery, purification and isolation of bioactive natural products, due to the liquid nature of the stationary phase, process predictability and the possibility of scale-up from analytical to preparative scale. In this work, a method developed for the fractionation of Schinus terebinthifolius Raddi berries dichloromethane extract was thoroughly optimized to achieve maximal throughput with minimal solvent and time consumption per gram of processed crude extract, using analytical, semi-preparative and preparative 'high performance countercurrent chromatography' (HPCCC) instruments. The method using the biphasic solvent system composed of n-heptane-ethyl acetate-methanol-water (6:1:6:1, v/v/v/v) was volumetrically scaled up to increase sample throughput up to 120 times, while maintaining separation efficiency and time. As a fast and specific detection alternative, the fractions collected from the CCC-separations were injected to an 'atmospheric pressure chemical ionization mass-spectrometer' (APCI-MS/MS) and reconstituted molecular weight MS-chromatograms of the APCI-ionizable compounds from S. terebinthifolius were obtained. This procedure led to the direct isolation of tirucallane type triterpenes such as masticadienonic and 3β-masticadienolic acids. Also oleanonic and moronic acids have been identified for the first time in the species. In summary, this approach can be used for other CCC scale-up processes, enabling MS-target-guided isolation procedures. Copyright © 2015 Elsevier B.V. All rights reserved.

Anomalous C-V response correlated to relaxation processes in TiO{sub 2} thin film based-metal-insulator-metal capacitor: Effect of titanium and oxygen defects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kahouli, A., E-mail: kahouli.kader@yahoo.fr; University Grenoble Alpes, G2Elab, F-38000 Grenoble; Marichy, C.

2015-04-21

Capacitance-voltage (C–V) and capacitance-frequency (C–f) measurements are performed on atomic layer deposited TiO{sub 2} thin films with top and bottom Au and Pt electrodes, respectively, over a large temperature and frequency range. A sharp capacitance peak/discontinuity (C–V anomalous) is observed in the C–V characteristics at various temperatures and voltages. It is demonstrated that this phenomenon is directly associated with oxygen vacancies. The C–V peak irreversibility and dissymmetry at the reversal dc voltage are attributed to difference between the Schottky contacts at the metal/TiO{sub 2} interfaces. Dielectric analyses reveal two relaxation processes with degeneration of the activation energy. The low trapmore » level of 0.60–0.65 eV is associated with the first ionized oxygen vacancy at low temperature, while the deep trap level of 1.05 eV is associated to the second ionized oxygen vacancy at high temperature. The DC conductivity of the films exhibits a transition temperature at 200 °C, suggesting a transition from a conduction regime governed by ionized oxygen vacancies to one governed by interstitial Ti{sup 3+} ions. Both the C–V anomalous and relaxation processes in TiO{sub 2} arise from oxygen vacancies, while the conduction mechanism at high temperature is governed by interstitial titanium ions.« less

Direct identification of prohibited substances in cosmetics and foodstuffs using ambient ionization on a miniature mass spectrometry system.

PubMed

Ma, Qiang; Bai, Hua; Li, Wentao; Wang, Chao; Li, Xinshi; Cooks, R Graham; Ouyang, Zheng

2016-03-17

Significantly simplified work flows were developed for rapid analysis of various types of cosmetic and foodstuff samples by employing a miniature mass spectrometry system and ambient ionization methods. A desktop Mini 12 ion trap mass spectrometer was coupled with paper spray ionization, extraction spray ionization and slug-flow microextraction for direct analysis of Sudan Reds, parabens, antibiotics, steroids, bisphenol and plasticizer from raw samples with complex matrices. Limits of detection as low as 5 μg/kg were obtained for target analytes. On-line derivatization was also implemented for analysis of steroid in cosmetics. The developed methods provide potential analytical possibility for outside-the-lab screening of cosmetics and foodstuff products for the presence of illegal substances. Copyright © 2016 Elsevier B.V. All rights reserved.

Solvent jet desorption capillary photoionization-mass spectrometry.

PubMed

Haapala, Markus; Teppo, Jaakko; Ollikainen, Elisa; Kiiski, Iiro; Vaikkinen, Anu; Kauppila, Tiina J; Kostiainen, Risto

2015-03-17

A new ambient mass spectrometry method, solvent jet desorption capillary photoionization (DCPI), is described. The method uses a solvent jet generated by a coaxial nebulizer operated at ambient conditions with nitrogen as nebulizer gas. The solvent jet is directed onto a sample surface, from which analytes are extracted into the solvent and ejected from the surface in secondary droplets formed in collisions between the jet and the sample surface. The secondary droplets are directed into the heated capillary photoionization (CPI) device, where the droplets are vaporized and the gaseous analytes are ionized by 10 eV photons generated by a vacuum ultraviolet (VUV) krypton discharge lamp. As the CPI device is directly connected to the extended capillary inlet of the MS, high ion transfer efficiency to the vacuum of MS is achieved. The solvent jet DCPI provides several advantages: high sensitivity for nonpolar and polar compounds with limit of detection down to low fmol levels, capability of analyzing small and large molecules, and good spatial resolution (250 μm). Two ionization mechanisms are involved in DCPI: atmospheric pressure photoionization, capable of ionizing polar and nonpolar compounds, and solvent assisted inlet ionization capable of ionizing larger molecules like peptides. The feasibility of DCPI was successfully tested in the analysis of polar and nonpolar compounds in sage leaves and chili pepper.

Real time analysis of brain tissue by direct combination of ultrasonic surgical aspiration and sonic spray mass spectrometry.

PubMed

Schäfer, Karl-Christian; Balog, Júlia; Szaniszló, Tamás; Szalay, Dániel; Mezey, Géza; Dénes, Júlia; Bognár, László; Oertel, Matthias; Takáts, Zoltán

2011-10-15

Direct combination of cavitron ultrasonic surgical aspirator (CUSA) and sonic spray ionization mass spectrometry is presented. A commercially available ultrasonic surgical device was coupled to a Venturi easy ambient sonic-spray ionization (V-EASI) source by directly introducing liquified tissue debris into the Venturi air jet pump. The Venturi air jet pump was found to efficiently nebulize the suspended tissue material for gas phase ion production. The ionization mechanism involving solely pneumatic spraying was associated with that of sonic spray ionization. Positive and negative ionization spectra were obtained from brain and liver samples reflecting the primary application areas of the surgical device. Mass spectra were found to feature predominantly complex lipid-type constituents of tissues in both ion polarity modes. Multiply charged peptide anions were also detected. The influence of instrumental settings was characterized in detail. Venturi pump geometry and flow parameters were found to be critically important in ionization efficiency. Standard solutions of phospholipids and peptides were analyzed in order to test the dynamic range, sensitivity, and suppression effects. The spectra of the intact tissue specimens were found to be highly specific to the histological tissue type. The principal component analysis (PCA) and linear discriminant analysis (LDA) based data analysis method was developed for real-time tissue identification in a surgical environment. The method has been successfully tested on post-mortem and ex vivo human samples including astrocytomas, meningeomas, metastatic brain tumors, and healthy brain tissue. © 2011 American Chemical Society

Orthogonal ion injection apparatus and process

DOEpatents

Kurulugama, Ruwan T; Belov, Mikhail E

2014-04-15

An orthogonal ion injection apparatus and process are described in which ions are directly injected into an ion guide orthogonal to the ion guide axis through an inlet opening located on a side of the ion guide. The end of the heated capillary is placed inside the ion guide such that the ions are directly injected into DC and RF fields inside the ion guide, which efficiently confines ions inside the ion guide. Liquid droplets created by the ionization source that are carried through the capillary into the ion guide are removed from the ion guide by a strong directional gas flow through an inlet opening on the opposite side of the ion guide. Strong DC and RF fields divert ions into the ion guide. In-guide orthogonal injection yields a noise level that is a factor of 1.5 to 2 lower than conventional inline injection known in the art. Signal intensities for low m/z ions are greater compared to convention inline injection under the same processing conditions.

Analysis of carbohydrates in Fusarium verticillioides using size-exclusion HPLC – DRI and direct analysis in real time ionization – time-of-flight – mass spectrometry (DART-MS)

USDA-ARS?s Scientific Manuscript database

Direct analysis in real time ionization – time-of-flight – mass spectrometry (DART-MS) and size-exclusion HPLC – DRI are used, respectively, to qualitatively and quantitatively determine the carbohydrates extracted from the corn rot fungus Fusarium verticillioides. In situ permethylation in the DART...

Direct Detection of Complex Organic Products in Ultraviolet (Lyα) and Electron-irradiated Astrophysical and Cometary Ice Analogs Using Two-step Laser Ablation and Ionization Mass Spectrometry

NASA Astrophysics Data System (ADS)

Henderson, Bryana L.; Gudipati, Murthy S.

2015-02-01

As discovery of complex molecules and ions in our solar system and the interstellar medium has proliferated, several groups have turned to laboratory experiments in an effort to simulate and understand these chemical processes. So far only infrared (IR) and ultraviolet (UV) spectroscopy has been able to directly probe these reactions in ices in their native, low-temperature states. Here we report for the first time results using a complementary technique that harnesses two-step two-color laser ablation and ionization to measure mass spectra of energetically processed astrophysical and cometary ice analogs directly without warming the ices—a method for hands-off in situ ice analysis. Electron bombardment and UV irradiation of H2O, CH3OH, and NH3 ices at 5 K and 70 K led to complex irradiation products, including HCO, CH3CO, formamide, acetamide, methyl formate, and HCN. Many of these species, whose assignment was also strengthened by isotope labeling studies and correlate with IR-based spectroscopic studies of similar irradiated ices, are important ingredients for the building blocks of life. Some of them have been detected previously via astronomical observations in the interstellar medium and in cometary comae. Other species such as CH3CO (acetyl) are yet to be detected in astrophysical ices or interstellar medium. Our studies suggest that electron and UV photon processing of astrophysical ice analogs leads to extensive chemistry even in the coldest reaches of space, and lend support to the theory of comet-impact-induced delivery of complex organics to the inner solar system.

PIC simulations of post-pulse field reversal and secondary ionization in nanosecond argon discharges

NASA Astrophysics Data System (ADS)

Kim, H. Y.; Gołkowski, M.; Gołkowski, C.; Stoltz, P.; Cohen, M. B.; Walker, M.

2018-05-01

Post-pulse electric field reversal and secondary ionization are investigated with a full kinetic treatment in argon discharges between planar electrodes on nanosecond time scales. The secondary ionization, which occurs at the falling edge of the voltage pulse, is induced by charge separation in the bulk plasma region. This process is driven by a reverse in the electric field from the cathode sheath to the formerly driven anode. Under the influence of the reverse electric field, electrons in the bulk plasma and sheath regions are accelerated toward the cathode. The electron movement manifests itself as a strong electron current generating high electron energies with significant electron dissipated power. Accelerated electrons collide with Ar molecules and an increased ionization rate is achieved even though the driving voltage is no longer applied. With this secondary ionization, in a single pulse (SP), the maximum electron density achieved is 1.5 times higher and takes a shorter time to reach using 1 kV 2 ns pulse as compared to a 1 kV direct current voltage at 1 Torr. A bipolar dual pulse excitation can increase maximum density another 50%–70% above a SP excitation and in half the time of RF sinusoidal excitation of the same period. The first field reversal is most prominent but subsequent field reversals also occur and correspond to electron temperature increases. Targeted pulse designs can be used to condition plasma density as required for fast discharge applications.

UV and ionizing radiations induced DNA damage, differences and similarities

NASA Astrophysics Data System (ADS)

Ravanat, Jean-Luc; Douki, Thierry

2016-11-01

Both UV and ionizing radiations damage DNA. Two main mechanisms, so-called direct and indirect pathways, are involved in the degradation of DNA induced by ionizing radiations. The direct effect of radiation corresponds to direct ionization of DNA (one electron ejection) whereas indirect effects are produced by reactive oxygen species generated through water radiolysis, including the highly reactive hydroxyl radicals, which damage DNA. UV (and visible) light damages DNA by again two distinct mechanisms. UVC and to a lesser extend UVB photons are directly absorbed by DNA bases, generating their excited states that are at the origin of the formation of pyrimidine dimers. UVA (and visible) light by interaction with endogenous or exogenous photosensitizers induce the formation of DNA damage through photosensitization reactions. The excited photosensitizer is able to induce either a one-electron oxidation of DNA (type I) or to produce singlet oxygen (type II) that reacts with DNA. In addition, through an energy transfer from the excited photosensitizer to DNA bases (sometime called type III mechanism) formation of pyrimidine dimers could be produced. Interestingly it has been shown recently that pyrimidine dimers are also produced by direct absorption of UVA light by DNA, even if absorption of DNA bases at these wavelengths is very low. It should be stressed that some excited photosensitizers (such as psoralens) could add directly to DNA bases to generate adducts. The review will described the differences and similarities in terms of damage formation (structure and mechanisms) between these two physical genotoxic agents.

Dissociative Ionization of Aromatic and Heterocyclic Molecules

NASA Technical Reports Server (NTRS)

Huo, Winifred M.

2003-01-01

Space radiation poses a major health hazard to humans in space flight. The high-energy charged particles in space radiation ranging from protons to high atomic number, high-energy (HZE) particles, and the secondary species they produce, attack DNA, cells, and tissues. Of the potential hazards, long-term health effects such as carcinogenesis are likely linked to the DNA lesions caused by secondary electrons in the 1 - 30 eV range. Dissociative ionization (DI) is one of the electron collision processes that can damage the DNA, either directly by causing a DNA lesion, or indirectly by producing radicals and cations that attack the DNA. To understand this process, we have developed a theoretical model for DI. Our model makes use of the fact that electron motion is much faster than nuclear motion and assumes DI proceeds through a two-step process. The first step is electron-impact ionization resulting in a particular state of the molecular ion in the geometry of the neutral molecule. In the second step the ion undergoes unimolecular dissociation. Thus the DI cross section sigma(sup DI)(sub a) for channel a is given by sigma(sup DI)(sub a) = sigma(sup I)(sub a) P(sub D) with sigma(sup I)(sub a) the ionization cross section of channel a and P(sub D) the dissociation probability. This model has been applied to study the DI of H2O, NH3, and CH4, with results in good agreement with experiment. The ionization cross section sigma(sup I)(sub a) was calculated using the improved binary encounter-dipole model and the unimolecular dissociation probability P(sub D) obtained by following the minimum energy path determined by the gradients and Hessians of the electronic energy with respect to the nuclear coordinates of the ion. This model is used to study the DI from the low-lying channels of benzene and pyridine to understand the different product formation in aromatic and heterocyclic molecules. DI study of the DNA base thymine is underway. Solvent effects will also be discussed.

Revisiting the relaxation dynamics of isolated pyrrole

DOE Office of Scientific and Technical Information (OSTI.GOV)

Montero, Raúl; Ovejas, Virginia; Fernández-Fernández, Marta

Herein, the interpretation of the femtosecond-scale temporal evolution of the pyrrole ion signal, after excitation in the 267–217 nm interval, recently published by our group [R. Montero, A. Peralta Conde, V. Ovejas, M. Fernández-Fernández, F. Castaño, J. R. Vázquez de Aldana, and A. Longarte, J. Chem. Phys.137, 064317 (2012)] is re-visited. The observation of a shift in the pyrrole{sup +} transient respect to zero delay reference, initially attributed to ultrafast dynamics on the πσ{sup *} type state (3s a{sub 1} ← π 1a{sub 2}), is demonstrated to be caused by the existence of pump + probe populated states, along themore » ionization process. The influence of these resonances in pump-prone ionization experiments, when multi-photon probes are used, and the significance of a proper zero-time reference, is discussed. The possibility of preparing the πσ{sup *} state by direct excitation is investigated by collecting 1 + 1 photoelectron spectra, at excitation wavelengths ranging from 255 to 219 nm. No conclusive evidences of ionization through this state are found.« less

Effects of ionizing radiation on the immune system with special emphasis on the interaction of dendritic and T cells.

PubMed

Manda, Katrin; Glasow, Annegret; Paape, Daniel; Hildebrandt, Guido

2012-01-01

Dendritic cells (DCs), as professional antigen-presenting cells, are members of the innate immune system and function as key players during the induction phase of adaptive immune responses. Uptake, processing, and presentation of antigens direct the outcome toward either tolerance or immunity. The cells of the immune system are among the most highly radiosensitive cells in the body. For high doses of ionizing radiation (HD-IR) both immune-suppressive effects after whole body irradiation and possible immune activation during tumor therapy were observed. On the other hand, the effects of low doses of ionizing radiation (LD-IR) on the immune system are controversial and seem to show high variability among different individuals and species. There are reports revealing that protracted LD-IR can result in radioresistance. But immune-suppressive effects of chronic LD-IR are also reported, including the killing or sensitizing of certain cell types. This article shall review the current knowledge of radiation-induced effects on the immune system, paying special attention to the interaction of DCs and T cells.

Quantum control via a genetic algorithm of the field ionization pathway of a Rydberg electron

NASA Astrophysics Data System (ADS)

Gregoric, Vincent C.; Kang, Xinyue; Liu, Zhimin Cheryl; Rowley, Zoe A.; Carroll, Thomas J.; Noel, Michael W.

2017-08-01

Quantum control of the pathway along which a Rydberg electron field ionizes is experimentally and computationally demonstrated. Selective field ionization is typically done with a slowly rising electric field pulse. The (1/n*)4 scaling of the classical ionization threshold leads to a rough mapping between arrival time of the electron signal and principal quantum number of the Rydberg electron. This is complicated by the many avoided level crossings that the electron must traverse on the way to ionization, which in general leads to broadening of the time-resolved field ionization signal. In order to control the ionization pathway, thus directing the signal to the desired arrival time, a perturbing electric field produced by an arbitrary wave-form generator is added to a slowly rising electric field. A genetic algorithm evolves the perturbing field in an effort to achieve the target time-resolved field ionization signal.

The production of CO(+) (B2Sigma +) from dissociative photoionization excitation of CO2

NASA Technical Reports Server (NTRS)

Wu, C. Y. R.; Judge, D. L.

1986-01-01

The dissociative photoionization excitation process in CO2 is studied. In contrast to previous studies, attention is focused on the vibrational and rotational levels produced in fragment ions, partial cross-section measurements for producing such fragment ions in a specific quantum state, and the mechanisms that govern the dissociative ionization excitation processes. The partial fluorescence cross section for the production of CO(+) (B2Sigma +) from CO2 over a wide wavelength range was measured. It is concluded that the production of the CO(+) (B2Sigma +) fragment near the threshold is through a direct dissociative photoionization process.

Direct identification of bacteria in blood culture by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry: a new methodological approach.

PubMed

Kroumova, Vesselina; Gobbato, Elisa; Basso, Elisa; Mucedola, Luca; Giani, Tommaso; Fortina, Giacomo

2011-08-15

Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) has recently been demonstrated to be a powerful tool for the rapid identification of bacteria from growing colonies. In order to speed up the identification of bacteria, several authors have evaluated the usefulness of this MALDI-TOF MS technology for the direct and quick identification bacteria from positive blood cultures. The results obtained so far have been encouraging but have also shown some limitations, mainly related to the bacterial growth and to the presence of interference substances belonging to the blood cultures. In this paper, we present a new methodological approach that we have developed to overcome these limitations, based mainly on an enrichment of the sample into a growing medium before the extraction process, prior to mass spectrometric analysis. The proposed method shows important advantages for the identification of bacterial strains, yielding an increased identification score, which gives higher confidence in the results. Copyright © 2011 John Wiley & Sons, Ltd.

Rapid Microcystin Determination Using a Paper Spray Ionization Method with a Time-of-Flight Mass Spectrometry System.

PubMed

Zhu, Xiaoqiang; Huang, Zhengxu; Gao, Wei; Li, Xue; Li, Lei; Zhu, Hui; Mo, Ting; Huang, Bao; Zhou, Zhen

2016-07-13

The eutrophication of surface water sources and climate changes have resulted in an annual explosion of cyanobacterial blooms in many irrigating and drinking water resources. To decrease health risks to the public, a rapid real time method for the synchronous determination of two usually harmful microcystins (MC-RR and MC-LR) in environmental water samples was built by employing a paper spray ionization method coupled with a time-of-flight mass spectrometer system. With this approach, direct analysis of microcystin mixtures without sample preparation has been achieved. Rapid detection was performed, simulating the release process of microcystins in reservoir water samples, and the routine detection frequency was every three minutes. The identification time of microcystins was reduced from several hours to a few minutes. The limit of detection is 1 μg/L, and the limit of quantitation is 3 μg/L. This method displays the ability for carrying out rapid, direct, and high-throughput experiments for determination of microcystins, and it would be of significant interest for environmental and food safety applications.

Ionization of Rydberg atoms colliding with a metal surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sjakste, J.; Borisov, A. G.; Gauyacq, J. P.

2006-04-15

We report on a theoretical study of the ionization process of Xe* Rydberg atoms colliding with a metal surface, in the presence of an external electric field. The evolution of the Xe* outer electron is studied by a wave packet propagation approach, allowing to include all dynamical aspects of the collision, in particular nonadiabatic inter-Rydberg transitions. We investigate how the different Xe* Stark states formed in the external field couple together and ionize on the surface and how the different polarizations of the electronic cloud in the Xe* states are reflected in their ionization properties. We show that the presencemore » of the external electric field can significantly perturb the dynamics of the ionization process. Our results account for recent results from Dunning et al. [Nucl. Inst. Meth. B 203, 69 (2003)]. In particular, it is explained how the external electric field present in the experimental procedure of Dunning et al. leads to the apparent absence of a polarization effect in the ionization process.« less

Impact of Spacecraft Shielding on Direct Ionization Soft Error Rates for sub-130 nm Technologies

NASA Technical Reports Server (NTRS)

Pellish, Jonathan A.; Xapsos, Michael A.; Stauffer, Craig A.; Jordan, Michael M.; Sanders, Anthony B.; Ladbury, Raymond L.; Oldham, Timothy R.; Marshall, Paul W.; Heidel, David F.; Rodbell, Kenneth P.

2010-01-01

We use ray tracing software to model various levels of spacecraft shielding complexity and energy deposition pulse height analysis to study how it affects the direct ionization soft error rate of microelectronic components in space. The analysis incorporates the galactic cosmic ray background, trapped proton, and solar heavy ion environments as well as the October 1989 and July 2000 solar particle events.

Impact of Spacecraft Shielding on Direct Ionization Soft Error Rates for Sub-130 nm Technologies

NASA Technical Reports Server (NTRS)

Pellish, Jonathan A.; Xapsos, Michael A.; Stauffer, Craig A.; Jordan, Thomas M.; Sanders, Anthony B.; Ladbury, Raymond L.; Oldham, Timothy R.; Marshall, Paul W.; Heidel, David F.; Rodbell, Kenneth P.

2010-01-01

We use ray tracing software to model various levels of spacecraft shielding complexity and energy deposition pulse height analysis to study how it affects the direct ionization soft error rate of microelectronic components in space. The analysis incorporates the galactic cosmic ray background, trapped proton, and solar heavy ion environments as well as the October 1989 and July 2000 solar particle events.

Direct Analysis of Textile Fabrics and Dyes Using IR Matrix-Assisted Laser Desorption Electrospray Ionization (MALDESI) Mass Spectrometry

PubMed Central

Cochran, Kristin H.; Barry, Jeremy A.; Muddiman, David C.; Hinks, David

2012-01-01

The forensic analysis of textile fibers uses a variety of techniques from microscopy to spectroscopy. One such technique that is often used to identify the dye(s) within the fiber is mass spectrometry (MS). In the traditional MS method, the dye must be extracted from the fabric and the dye components are separated by chromatography prior to mass spectrometric analysis. Direct analysis of the dye from the fabric allows the omission of the lengthy sample preparation involved in extraction, thereby significantly reducing the overall analysis time. Herein, a direct analysis of dyed textile fabric was performed using the infrared matrix-assisted laser desorption electrospray ionization (IR-MALDESI) source for MS. In MALDESI, an IR laser with wavelength tuned to 2.94 μm is used to desorb the dye from the fabric sample with the aid of water as the matrix. The desorbed dye molecules are then post-ionized by electrospray ionization (ESI). A variety of dye classes were analyzed from various fabrics with little to no sample preparation allowing for the identification of the dye mass and in some cases the fiber polymer. Those dyes that were not detected using MALDESI were also not observed by direct infusion ESI of the dye standard. PMID:23237031

Electrochemical Behavior of Sulfur in Aqueous Alkaline Solutions

NASA Astrophysics Data System (ADS)

Mamyrbekova, Aigul; Mamitova, A. D.; Mamyrbekova, Aizhan

2018-03-01

The kinetics and mechanism of the electrode oxidation-reduction of sulfur on an electrically conductive sulfur-graphite electrode in an alkaline solution was studied by the potentiodynamic method. To examine the mechanism of electrode processes occurring during AC polarization on a sulfur-graphite electrode, the cyclic polarization in both directions and anodic polarization curves were recorded. The kinetic parameters: charge transfer coefficients (α), diffusion coefficients ( D), heterogeneous rate constants of electrode process ( k s), and effective activation energies of the process ( E a) were calculated from the results of polarization measurements. An analysis of the results and calculated kinetic parameters of electrode processes showed that discharge ionization of sulfur in alkaline solutions occurs as a sequence of two stages and is a quasireversible process.

Efficient pre-ionization by direct X-B mode conversion in VEST

NASA Astrophysics Data System (ADS)

Jo, JongGab; Lee, H. Y.; Kim, S. C.; Kim, S. H.; An, Y. H.; Hwang, Y. S.

2017-01-01

Pre-ionization experiments with pure toroidal field have been carried out in VEST (Versatile Experiment Spherical Torus) to investigate the feasibility of direct XB mode conversion from perpendicular LFS (Low Field Side) injection for efficient pre-ionization. Pre-ionization plasmas are studied by measuring the electron density and temperature profiles with respect to microwave power and toroidal field strength, and 2D full wave cold plasma simulation using the COMSOL Multiphysics is performed for the comparison. It is experimentally figured out that exceeding the threshold microwave power (>3 kW), the parametric decay and localized collisional heating is observed near the UHR (Upper Hybrid Resonance), and the efficient XB mode conversion can be achieved in both short density scale length (Ln) and magnetic scale length (LB) region positioned at outboard and inboard sides, respectively. From the 2D full wave simulations, the reflection and tunneling of X-wave near the R-cutoff layer according to the measured electron density profiles are analyzed with electric field polarization and power flow. Threshold electric field and wave power density for parametric decay are evaluated at least more than 4.8 × 104 V/m and 100 W/cm2, respectively. This study shows that efficient pre-ionization schemes using direct XB mode conversion can be realized by considering the key factors such as Ln, LB, and transmitted wave power at the UHR. Application to Ohmic start-up experiment is carried out to confirm the effect of the pre-ionization schemes on tokamak plasma start-up in VEST.

Applications of DART-MS for food quality and safety assurance in food supply chain.

PubMed

Guo, Tianyang; Yong, Wei; Jin, Yong; Zhang, Liya; Liu, Jiahui; Wang, Sai; Chen, Qilong; Dong, Yiyang; Su, Haijia; Tan, Tianwei

2017-03-01

Direct analysis in real time (DART) represents a new generation of ion source which is used for rapid ionization of small molecules under ambient conditions. The combination of DART and various mass spectrometers allows analyzing multiple food samples with simple or no sample treatment, or in conjunction with prevailing protocolized sample preparation methods. Abundant applications by DART-MS have been reviewed in this paper. The DART-MS strategy applied to food supply chain (FSC), including production, processing, and storage and transportation, provides a comprehensive solution to various food components, contaminants, authenticity, and traceability. Additionally, typical applications available in food analysis by other ambient ionization mass spectrometers were summarized, and fundamentals mainly including mechanisms, devices, and parameters were discussed as well. © 2015 Wiley Periodicals, Inc. Mass Spec Rev. 36:161-187, 2017. © 2015 Wiley Periodicals, Inc.

Rapid determination of trace nitrophenolic organics in water by combining solid-phase extraction with surface-assisted laser desorption/ionization time-of-flight mass spectrometry.

PubMed

Chen, Y C; Shiea, J; Sunner, J

2000-01-01

A rapid technique for the screening of trace compounds in water by combining solid-phase extraction (SPE) with activated carbon surface-assisted laser desorption/ionization (SALDI) time-of-flight mass spectrometry is demonstrated. Activated carbon is used both as the sorbent in SPE and as the solid in the SALDI matrix system. This eliminates the need for an SPE elution process. After the analytes have been adsorbed on the surfaces of the activated carbon during SPE extraction, the activated carbon is directly mixed with the SALDI liquid and mass spectrometric analysis is performed. Trace phenolic compounds in water were used to demonstrate the effectiveness of the method. The detection limit for these compounds is in the ppb to ppt range. Copyright 2000 John Wiley & Sons, Ltd.

Bcl2-independent chromatin cleavage is a very early event during induction of apoptosis in mouse thymocytes after treatment with either dexamethasone or ionizing radiation.

PubMed

Hahn, Peter J; Lai, Zhi-Wei; Nevaldine, Barbara; Schiff, Ninel; Fiore, Nancy C; Silverstone, Allen E

2003-11-01

We have quantified the emergence of early chromatin breaks during the signal transduction phase of apoptosis in mouse thymocytes after treatment with either ionizing radiation or dexamethasone. Dexamethasone at 1 microM can induce significant levels of DNA breaks (equivalent to the amount induced directly by 7.5 Gy ionizing radiation) within 0.5 h of treatment. The execution phase of apoptosis was not observed until 4-6 h after the same treatment. The presence of the Bcl2 transgene under the control of the p56lck promoter almost completely inhibited apoptosis up to 24 h after treatment, but it had virtually no effect on the early chromatin cleavage occurring in the first 6 h. Ionizing radiation induced chromatin cleavage both directly by damaging DNA and indirectly with kinetics similar to the induction of chromatin cleavage by dexamethasone. The presence of the Bcl2 transgene had no effect on the direct or indirect radiation-induced cleavage in the first 6 h, but after the first 6 h, the Bcl2 gene inhibited further radiation-induced chromatin cleavage. These results suggest that endonucleases are activated within minutes of treatment with either dexamethasone or ionizing radiation as part of the very early signal transduction phase of apoptosis, and prior to the irreversible commitment to cell death.

Simulation of SEU Cross-sections using MRED under Conditions of Limited Device Information

NASA Technical Reports Server (NTRS)

Lauenstein, J. M.; Reed, R. A.; Weller, R. A.; Mendenhall, M. H.; Warren, K. M.; Pellish, J. A.; Schrimpf, R. D.; Sierawski, B. D.; Massengill, L. W.; Dodd, P. E.;

Spontaneous Charge Separation and Sublimation Processes are Ubiquitous in Nature and in Ionization Processes in Mass Spectrometry

NASA Astrophysics Data System (ADS)

Trimpin, Sarah; Lu, I.-Chung; Rauschenbach, Stephan; Hoang, Khoa; Wang, Beixi; Chubatyi, Nicholas D.; Zhang, Wen-Jing; Inutan, Ellen D.; Pophristic, Milan; Sidorenko, Alexander; McEwen, Charles N.

2018-02-01

Ionization processes have been discovered by which small and large as well as volatile and nonvolatile compounds are converted to gas-phase ions when associated with a matrix and exposed to sub-atmospheric pressure. Here, we discuss experiments further defining these simple and unexpected processes. Charge separation is found to be a common process for small molecule chemicals, solids and liquids, passed through an inlet tube from a higher to a lower pressure region, with and without heat applied. This charge separation process produces positively- and negatively-charged particles with widely different efficiencies depending on the compound and its physical state. Circumstantial evidence is presented suggesting that in the new ionization process, charged particles carry analyte into the gas phase, and desolvation of these particles produce the bare ions similar to electrospray ionization, except that solid particles appear likely to be involved. This mechanistic proposition is in agreement with previous theoretical work related to ion emission from ice.

Transition-matrix theory for two-photon ionization of rare-gas atoms and isoelectronic ions with application to argon

NASA Astrophysics Data System (ADS)

Starace, Anthony F.; Jiang, Tsin-Fu

1987-08-01

A transition-matrix theory for two-photon ionization processes in rare-gas atoms or isoelectronic ions is presented. Uncoupled ordinary differential equations are obtained for the radial functions needed to calculate the two-photon transition amplitude. The implications of these equations are discussed in detail. In particular, the role of correlations involving virtually excited electron pairs, which are known to be essential to the description of single-photon processes, is examined for multiphoton ionization processes. Additionally, electron scattering interactions between two electron-hole pairs are introduced into our transition amplitude in the boson approximation since these have been found important in two-photon ionization of xenon by L'Huillier and Wendin [J. Phys. B 20, L37 (1987)]. Application of our theory is made to two-photon ionization of the 3p subshell of argon below the one-photon ionization threshold. Our results are compared to previous calculations of McGuire [Phys. Rev. A 24, 835 (1981)], of Moccia, Rahman, and Rizzo [J. Phys. B 16, 2737 (1983)], and of Pindzola and Kelly [Phys. Rev. A 11, 1543 (1975)]. Results are presented for both circularly and linearly polarized photons. Among our findings are, firstly, that the electron scattering interactions, which have not been included in previous calculations for argon, produce a substantial reduction in the two-photon single-ionization cross section below the one-photon ionization threshold, which is in agreement with findings of L'Huillier and Wendin for xenon. Secondly, we find that de-excitation of virtually excited electron pairs by absorption of a photon is important for describing the interaction of the atom with the photon field, as in the case of single-photon ionization processes, but that further excitation of virtually excited electron pairs by the photon field has completely negligible effects, indicating a major simplification of the theory for higher-order absorption processes.

Implementation of ionizing radiation environment requirements for Space Station

NASA Technical Reports Server (NTRS)

Boeder, Paul A.; Watts, John W.

1993-01-01

Proper functioning of Space Station hardware requires that the effects of high-energy ionizing particles from the natural environment and (possibly) from man-made sources be considered during design. At the Space Station orbit of 28.5-deg inclination and 330-440 km altitude, geomagnetically trapped protons and electrons contribute almost all of the dose, while galactic cosmic rays and anomalous cosmic rays may produce Single Event Upsets (SEUs), latchups, and burnouts of microelectronic devices. Implementing ionizing radiation environment requirements for Space Station has been a two part process, including the development of a description of the environment for imposing requirements on the design and the development of a control process for assessing how well the design addresses the effects of the ionizing radiation environment. We will review both the design requirements and the control process for addressing ionizing radiation effects on Space Station.

Desorption atmospheric pressure photoionization.

PubMed

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

2007-10-15

An ambient ionization technique for mass spectrometry, desorption atmospheric pressure photoionization (DAPPI), is presented, and its application to the rapid analysis of compounds of various polarities on surfaces is demonstrated. The DAPPI technique relies on a heated nebulizer microchip delivering a heated jet of vaporized solvent, e.g., toluene, and a photoionization lamp emitting 10-eV photons. The solvent jet is directed toward sample spots on a surface, causing the desorption of analytes from the surface. The photons emitted by the lamp ionize the analytes, which are then directed into the mass spectrometer. The limits of detection obtained with DAPPI were in the range of 56-670 fmol. Also, the direct analysis of pharmaceuticals from a tablet surface was successfully demonstrated. A comparison of the performance of DAPPI with that of the popular desorption electrospray ionization method was done with four standard compounds. DAPPI was shown to be equally or more sensitive especially in the case of less polar analytes.

Outstanding conference paper award 2014 IEEE nuclear and space radiation effects conference

DOE PAGES

Dodds, Nathaniel Anson; Schwank, James R.; Shaneyfelt, Marty R.; ...

2014-12-01

The recipients of the 2014 NSREC Outstanding Conference Paper Award are Nathaniel A. Dodds, James R. Schwank, Marty R. Shaneyfelt, Paul E. Dodd, Barney L. Doyle, Michael Trinczek, Ewart W. Blackmore, Kenneth P. Rodbell, Michael S. Gordon, Robert A. Reed, Jonathan A. Pellish, Kenneth A. LaBel, Paul W. Marshall, Scot E. Swanson, Gyorgy Vizkelethy, Stuart Van Deusen, Frederick W. Sexton, and M. John Martinez, for their paper entitled "Hardness Assurance for Proton Direct Ionization-Induced SEEs Using a High-Energy Proton Beam." For older CMOS technologies, protons could only cause single-event effects (SEEs) through nuclear interactions. Numerous recent studies on 90 nmmore » and newer CMOS technologies have shown that protons can also cause SEEs through direct ionization. Furthermore, this paper develops and demonstrates an accurate and practical method for predicting the error rate caused by proton direct ionization (PDI).« less

Outstanding conference paper award 2014 IEEE nuclear and space radiation effects conference

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dodds, Nathaniel Anson; Schwank, James R.; Shaneyfelt, Marty R.

The recipients of the 2014 NSREC Outstanding Conference Paper Award are Nathaniel A. Dodds, James R. Schwank, Marty R. Shaneyfelt, Paul E. Dodd, Barney L. Doyle, Michael Trinczek, Ewart W. Blackmore, Kenneth P. Rodbell, Michael S. Gordon, Robert A. Reed, Jonathan A. Pellish, Kenneth A. LaBel, Paul W. Marshall, Scot E. Swanson, Gyorgy Vizkelethy, Stuart Van Deusen, Frederick W. Sexton, and M. John Martinez, for their paper entitled "Hardness Assurance for Proton Direct Ionization-Induced SEEs Using a High-Energy Proton Beam." For older CMOS technologies, protons could only cause single-event effects (SEEs) through nuclear interactions. Numerous recent studies on 90 nmmore » and newer CMOS technologies have shown that protons can also cause SEEs through direct ionization. Furthermore, this paper develops and demonstrates an accurate and practical method for predicting the error rate caused by proton direct ionization (PDI).« less

The composition of heavy ions in solar energetic particle events

NASA Technical Reports Server (NTRS)

Fan, C. Y.; Gloeckler, G.; Hovestadt, D.

1983-01-01

Recent advances in determining the elemental, charge state, and isotopic composition of or approximate to 1 to or approximate to 20 MeV per nucleon ions in solar energetic particle (SEP) events and outline our current understanding of the nature of solar and interplanetary processes which may explain the observations. Average values of relative abundances measured in a large number of SEP events were found to be roughly energy independent in the approx. 1 to approx. 20 MeV per nucleon range, and showed a systematic deviation from photospheric abundances which seems to be organized in terms of the first ionization potential of the ion. Direct measurements of the charge states of SEPs revealed the surprisingly common presence of energetic He(+) along with heavy ion with typically coronal ionization states. High resolution measurements of isotopic abundance ratios in a small number of SEP events showed these to be consistent with the universal composition except for the puzzling overabundance of the SEP(22)Ne/(20)Ne relative to this isotopes ratio in the solar wind. The broad spectrum of observed elemental abundance variations, which in their extreme result in composition anomalies characteristic of (3)He rich, heavy ion rich and carbon poor SEP events, along with direct measurements of the ionization states of SEPs provided essential information on the physical characteristics of, and conditions in the source regions, as well as important constraints to possible models for SEP production.

Adaptation of the Black Yeast Wangiella dermatitidis to Ionizing Radiation: Molecular and Cellular Mechanisms

DTIC Science & Technology

2012-11-01

laboratory and in the damaged Chernobyl nuclear reactor suggest they have adapted the ability to survive or even benefit from exposure to ionizing...damaged nuclear reactor at Chernobyl , which are constantly exposed to ionizing radiation, harbor large of amounts of microorganisms, including fungal...species [3,4]. Furthermore, Zhdanova et al. reported that beta and gamma radiation promoted directional growth of fungi isolated from the Chernobyl

3D printing of graphene-doped target for "matrix-free" laser desorption/ionization mass spectrometry.

PubMed

Wang, Dingyi; Huang, Xiu; Li, Jie; He, Bin; Liu, Qian; Hu, Ligang; Jiang, Guibin

2018-03-13

We report a graphene-doped resin target fabricated via a 3D printing technique for laser desorption/ionization mass spectrometry analysis. The graphene doped in the target acts as an inherent laser absorber and ionization promoter, thus permitting the direct analysis of samples without adding matrix. This work reveals a new strategy for easy designing and fabrication of functional mass spectrometry devices.

Peas in a Pod: Environment and Ionization in Green Pea Galaxies

NASA Astrophysics Data System (ADS)

Kurtz, Heather; Jaskot, Anne; Drew, Patrick; Pare, Dylan; Griffin, Jon; Petersen, Michael

2016-01-01

The Green Peas are extreme, highly ionized, starburst galaxies with strong [OIII] 5007 emission. Using the Sloan Digital Sky Survey, we present statistics on the environment of Green Peas and investigate its effects on their ionized gas properties. Although most dwarf starburst galaxies are in low-density environments, we identify a sample of Green Peas in dense environments. Emission line observations with the WIYN 0.9-meter telescope at Kitt Peak reveal that one cluster Green Pea is more highly ionized in the direction of the cluster center. Ram pressure stripping likely generates this ionization gradient. We explore the role of the environment in enhancing star formation rates and ionization, and we compare the nebular properties of Green Peas in high-density environments to those in low-density environments.

A single-electron picture based on the multiconfiguration time-dependent Hartree-Fock method: application to the anisotropic ionization and subsequent high-harmonic generation of the CO molecule

NASA Astrophysics Data System (ADS)

Ohmura, S.; Kato, T.; Oyamada, T.; Koseki, S.; Ohmura, H.; Kono, H.

2018-02-01

The mechanisms of anisotropic near-IR tunnel ionization and high-order harmonic generation (HHG) in a CO molecule are theoretically investigated by using the multiconfiguration time-dependent Hartree-Fock (MCTDHF) method developed for the simulation of multielectron dynamics of molecules. The multielectron dynamics obtained by numerically solving the equations of motion (EOMs) in the MCTDHF method is converted to a single orbital picture in the natural orbital representation where the first-order reduced density matrix is diagonalized. The ionization through each natural orbital is examined and the process of HHG is classified into different optical paths designated by a combinations of initial, intermediate and final natural orbitals. The EOMs for natural spin-orbitals are also derived within the framework of the MCTDHF, which maintains the first-order reduced density matrix to be a diagonal one throughout the time propagation of a many-electron wave function. The orbital dependent, time-dependent effective potentials that govern the dynamics of respective time-dependent natural orbitals are deduced from the derived EOMs, of which the temporal variation can be used to interpret the motion of the electron density associated with each natural spin-orbital. The roles of the orbital shape, multiorbital ionization, linear Stark effect and multielectron interaction in the ionization and HHG of a CO molecule are revealed by the effective potentials obtained. When the laser electric field points to the nucleus O from C, tunnel ionization from the C atom side is enhanced; a hump structure originating from multielectron interaction is then formed on the top of the field-induced distorted barrier of the HOMO effective potential. This hump formation, responsible for the directional anisotropy of tunnel ionization, restrains the influence of the linear Stark effect on the energy shifts of bound states.

Nonadiabatic electron wavepacket dynamics behind molecular autoionization

NASA Astrophysics Data System (ADS)

Matsuoka, Takahide; Takatsuka, Kazuo

2018-01-01

A theoretical method for real-time dynamics of nonadiabatic reorganization of electronic configurations in molecules is developed, with dual aim that the intramolecular electron dynamics can be probed by means of direct and/or indirect photoionizations and that the physical origins behind photoionization signals attained in the time domain can be identified in terms of the language of time-dependent quantum chemistry. In doing so, we first formulate and implement a new computational scheme for nonadiabatic electron dynamics associated with molecular ionization, which well fits in the general theory of nonadiabatic electron dynamics. In this method, the total nonadiabatic electron wavepackets are propagated in time directly with complex natural orbitals without referring to Hartree-Fock molecular orbitals, and the amount of electron flux from a molecular region leading to ionization is evaluated in terms of the relevant complex natural orbitals. In the second half of this paper, we apply the method to electron dynamics in the elementary processes consisting of the Auger decay to demonstrate the methodological significance. An illustrative example is taken from an Auger decay starting from the 2a1 orbital hole-state of H2O+. The roles of nuclear momentum (kinetic) couplings in electronic-state mixing during the decay process are analyzed in terms of complex natural orbitals, which are schematically represented in the conventional language of molecular symmetry of the Hartree-Fock orbitals.

Calculation of the Ionization Coefficient in the Townsend Discharge in the Mixture of Argon and Mercury Vapors with Temperature-Dependent Composition

NASA Astrophysics Data System (ADS)

Bondarenko, G. G.; Dubinina, M. S.; Fisher, M. R.; Kristya, V. I.

2018-04-01

For a hybrid model of the low-current discharge considering, along with direct ionization of the mixture components by electrons, the Penning ionization of mercury atoms by metastable argon atoms, the ionization coefficient in the argon-mercury mixture used in illuminating lamps is calculated. The analytical approximation formula describing the dependence of the ionization coefficient of the mixture on the reduced electric field strength and temperature is obtained for sufficiently wide ranges of their variations, and its accuracy is estimated. It is demonstrated that the discharge ignition voltage calculated using this formula is in agreement with the results of simulation and the available experimental data.

Oxidative Ionization Under Certain Negative-Ion Mass Spectrometric Conditions

NASA Astrophysics Data System (ADS)

Hassan, Isra; Pavlov, Julius; Errabelli, Ramu; Attygalle, Athula B.

2017-02-01

1,4-Hydroquinone and several other phenolic compounds generate (M - 2) -• radical-anions, rather than deprotonated molecules, under certain negative-ion mass spectrometric conditions. In fact, spectra generated under helium-plasma ionization (HePI) conditions from 1,4-hydroquinone and 1,4-benzoquinone (by electron capture) were practically indistinguishable. Because this process involves a net loss of H• and H+, it can be termed oxidative ionization. The superoxide radical-anion (O2 -•), known to be present in many atmospheric-pressure plasma ion sources operated in the negative mode, plays a critical role in the oxidative ionization process. The presence of a small peak at m/z 142 in the spectrum of 1,4-hydroquinone, but not in that of 1,4-benzoquinone, indicated that the initial step in the oxidative ionization process is the formation of an O2 -• adduct. On the other hand, under bona fide electrospray ionization (ESI) conditions, 1,4-hydroquinone generates predominantly an (M - 1) - ion. It is known that at sufficiently high capillary voltages, corona discharges begin to occur even in an ESI source. At lower ESI capillary voltages, deprotonation predominates; as the capillary voltage is raised, the abundance of O2 -• present in the plasma increases, and the source in turn increasingly behaves as a composite ESI/APCI source. While maintaining post-ionization ion activation to a minimum (to prevent fragmentation), and monitoring the relative intensities of the m/z 109 (due to deprotonation) and 108 (oxidative ionization) peaks recorded from 1,4-hydroquinone, a semiquantitative estimation of the APCI contribution to the overall ion-generation process can be obtained.

Earle K. Plyler Prize Lecture: The Three Pillars of Ultrafast Molecular Science - Time, Phase, Intensity

NASA Astrophysics Data System (ADS)

Stolow, Albert

We discuss the probing and control of molecular wavepacket dynamics in the context of three main `pillars' of light-matter interaction: time, phase, intensity. Time: Using short, coherent laser pulses and perturbative matter-field interactions, we study molecular wavepackets with a focus on the ultrafast non-Born-Oppenheimer dynamics, that is, the coupling of electronic and nuclear motions. Time-Resolved Photoelectron Spectroscopy (TRPES) is a powerful ultrafast probe of these processes in polyatomic molecules because it is sensitive both electronic and vibrational dynamics. Ideally, one would like to observe these ultrafast processes from the molecule's point of view - the Molecular Frame - thereby avoiding loss of information due to orientational averaging. This can be achieved by Time-Resolved Coincidence Imaging Spectroscopy (TRCIS) which images 3D recoil vectors of both photofragments and photoelectrons, in coincidence and as a function of time, permitting direct Molecular Frame imaging of valence electronic dynamics during a molecular dynamics. Phase: Using intermediate strength non-perturbative interactions, we apply the second order (polarizability) Non-Resonant Dynamic Stark Effect (NRDSE) to control molecular dynamics without any net absorption of light. NRDSE is also the interaction underlying molecular alignment and applies to field-free 1D of linear molecules and field-free 3D alignment of general (asymmetric) molecules. Using laser alignment, we can transiently fix a molecule in space, yielding a more general approach to direct Molecular Frame imaging of valence electronic dynamics during a chemical reaction. Intensity: In strong (ionizing) laser fields, a new laser-matter physics emerges for polyatomic systems wherein both the single active electron picture and the adiabatic electron response, both implicit in the standard 3-step models, can fail dramatically. This has important consequences for all attosecond strong field spectroscopies of polyatomic molecules, including high harmonic generation (HHG). We discuss an experimental method, Channel-Resolved Above Threshold Ionization (CRATI), which directly unveils the electronic channels participating in the attosecond molecular strong field ionization response [10]. This work was supported by the National Research Council of Canada and the Natural Sciences & Engineering Research Council.

INDIRECT EVIDENCE FOR ESCAPING IONIZING PHOTONS IN LOCAL LYMAN BREAK GALAXY ANALOGS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alexandroff, Rachael M.; Heckman, Timothy M.; Borthakur, Sanchayeeta

2015-09-10

A population of early star-forming galaxies is the leading candidate for the re-ionization of the universe. It is still unclear, however, what conditions and physical processes would enable a significant fraction of the ionizing (Lyman continuum) photons to escape from these gas-rich galaxies. In this paper we present the results of the analysis of Hubble Space Telescope Cosmic Origins Spectrograph far-UV (FUV) spectroscopy plus ancillary multi-waveband data of a sample of 22 low-redshift galaxies that are good analogs to typical star-forming galaxies at high redshift. We measure three parameters that provide indirect evidence of the escape of ionizing radiation (leakiness):more » (1) the residual intensity in the cores of saturated interstellar low-ionization absorption lines, which indicates incomplete covering by that gas in the galaxy; (2) the relative amount of blueshifted Lyα line emission, which can indicate the existence of holes in the neutral hydrogen on the front-side of the galaxy outflow, and (3) the relative weakness of the [S ii] optical emission lines that trace matter-bounded H ii regions. We show that our residual intensity measures are only negligibly affected by infilling from resonance emission lines. We find all three diagnostics agree well with one another. We use these diagnostics to rank-order our sample in terms of likely leakiness, noting that a direct measure of escaping Lyman continuum has recently been made for one of the leakiest members of our sample. We then examine the correlations between our ranking and other proposed diagnostics of leakiness. We find a good correlation with the equivalent width of the Lyα emission line, but no significant correlations with either the flux ratio of the [O iii]/[O ii] emission lines or the ratio of star-formation rates derived from the (dust-corrected) FUV and Hα luminosities. Turning to galaxy properties, we find the strongest correlations with leakiness are with the compactness of the star-forming region (Star formation rate/area) and the speed of the galactic outflow. This suggests that extreme feedback—a high intensity of ionizing radiation and strong pressure from both radiation and a hot galactic wind—combines to create significant holes in the neutral gas. These results not only shed new light on the physical mechanisms that can allow ionizing radiation to escape from intensely star-forming galaxies, they also provide indirect observational indicators that can be used at high redshift where direct measurements of escaping Lyman continuum radiation are impossible.« less

Analysis of plasma-mediated ablation in aqueous tissue

NASA Astrophysics Data System (ADS)

Jiao, Jian; Guo, Zhixiong

2012-06-01

Plasma-mediated ablation using ultrafast lasers in transparent media such as aqueous tissues is studied. It is postulated that a critical seed free electron density exists due to the multiphoton ionization in order to trigger the avalanche ionization which causes ablation and during the avalanche ionization process the contribution of laser-induced photon ionization is negligible. Based on this assumption, the ablation process can be treated as two separate processes - the multiphoton and avalanche ionizations - at different time stages; so that an analytical solution to the evolution of plasma formation is obtained for the first time. The analysis is applied to plasma-mediated ablation in corneal epithelium and validated via comparison with experimental data available in the literature. The critical seed free-electron density and the time to initiate the avalanche ionization for sub-picosecond laser pulses are analyzed. It is found that the critical seed free-electron density decreases as the pulse width increases, obeying a tp-5.65 rule. This model is further extended to the estimation of crater size in the ablation of tissue-mimic polydimethylsiloxane (PDMS). The results match well with the available experimental measurements.

Impact ionization and band-to-band tunneling in InxGa1-xAs PIN ungated devices: A Monte Carlo analysis

NASA Astrophysics Data System (ADS)

Vasallo, B. G.; González, T.; Talbo, V.; Lechaux, Y.; Wichmann, N.; Bollaert, S.; Mateos, J.

2018-01-01

III-V Impact-ionization (II) metal-oxide-semiconductor FETs (I-MOSFETs) and tunnel FETs (TFETs) are being explored as promising devices for low-power digital applications. To assist the development of these devices from the physical point of view, a Monte Carlo (MC) model which includes impact ionization processes and band-to-band tunneling is presented. The MC simulator reproduces the I-V characteristics of experimental ungated In0.53Ga0.47As 100 nm PIN diodes, in which tunneling emerges for lower applied voltages than impact ionization events, thus being appropriate for TFETs. When the structure is enlarged up to 200 nm, the ON-state is achieved by means of impact ionization processes; however, the necessary applied voltage is higher, with the consequent drawback for low-power applications. In InAs PIN ungated structures, the onset of both impact ionization processes and band-to-band tunneling takes place for similar applied voltages, lower than 1 V; thus they are suitable for the design of low-power I-MOSFETs.

A comparative study of disinfection efficiency and regrowth control of microorganism in secondary wastewater effluent using UV, ozone, and ionizing irradiation process.

PubMed

Lee, O-Mi; Kim, Hyun Young; Park, Wooshin; Kim, Tae-Hun; Yu, Seungho

2015-09-15

Ionizing radiation technology was suggested as an alternative method to disinfection processes, such as chlorine, UV, and ozone. Although many studies have demonstrated the effectiveness of irradiation technology for microbial disinfection, there has been a lack of information on comparison studies of disinfection techniques and a regrowth of each treatment. In the present study, an ionizing radiation was investigated to inactivate microorganisms and to determine the critical dose to prevent the regrowth. As a result, it was observed that the disinfection efficiency using ionizing radiation was not affected by the seasonal changes of wastewater characteristics, such as temperature and turbidity. In terms of bacterial regrowth after disinfection, the ionizing radiation showed a significant resistance of regrowth, whereas, on-site UV treatment is influenced by the suspended solid, temperature, or precipitation. The electric power consumption was also compared for the economic feasibility of each technique at a given value of disinfection efficiency of 90% (1-log), showing 0.12, 36.80, and 96.53 Wh/(L/day) for ionizing radiation, ozone, and UV, respectively. The ionizing radiation requires two or three orders of magnitude lower power consumption than UV and ozone. Consequently, ionizing radiation can be applied as an effective and economical alternative technique to other conventional disinfection processes. Copyright © 2015 Elsevier B.V. All rights reserved.

Rovibrational photoionization dynamics of methyl and its isotopomers studied by high-resolution photoionization and photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Schulenburg, A. M.; Alcaraz, Ch.; Grassi, G.; Merkt, F.

2006-09-01

High-resolution photoionization and pulsed-field-ionization zero-kinetic-energy photoelectron spectra of CH3, CH2D, CHD2, and CD3 have been recorded in the vicinity of the first adiabatic ionization threshold following single-photon excitation from the ground neutral state using a narrow-bandwidth vacuum-ultraviolet laser. The radicals were produced from the precursor molecules methyl-bromide, methyl-iodide, dimethyl-thioether, acetone, and nitromethane by 193nm excimer photolysis in a quartz capillary and were subsequently cooled to a rotational temperature Trot≈30K in a supersonic expansion. Nitromethane was identified as a particularly suitable photolytic precursor of methyl for studies by photoionization and threshold photoelectron spectroscopy. Thanks to the cold rotational temperature reached in the supersonic expansion, the rotational structure of the threshold ionization spectra could be resolved, and the photoionization dynamics investigated. Rydberg series converging on excited rotational levels of CH3+ could be observed in the range of principal quantum number n =30-50, and both rotational autoionization and predissociation were identified as decay processes in the threshold region. The observed photoionization transitions can be understood in the realm of an orbital model for direct ionization but the intensity distributions can only be fully accounted for if the rotational channel interactions mediated by the quadrupole of the cation are considered. Improved values of the adiabatic ionization thresholds were derived for all isotopomers [CH3: 79356.2(15)cm-1, CH2D: 79338.8(15)cm-1, CHD2: 79319.1(15)cm-1, and CD3: 79296.4(15)cm-1].

Matrix-assisted laser desorption ionization-time of flight mass spectrometry for direct bacterial identification from positive blood culture pellets.

PubMed

Prod'hom, Guy; Bizzini, Alain; Durussel, Christian; Bille, Jacques; Greub, Gilbert

2010-04-01

An ammonium chloride erythrocyte-lysing procedure was used to prepare a bacterial pellet from positive blood cultures for direct matrix-assisted laser desorption-ionization time of flight (MALDI-TOF) mass spectrometry analysis. Identification was obtained for 78.7% of the pellets tested. Moreover, 99% of the MALDI-TOF identifications were congruent at the species level when considering valid scores. This fast and accurate method is promising.

The Contribution of Ionizing Stars to the Far-Infrared and Radio Emission in the Galaxy

NASA Astrophysics Data System (ADS)

Terebey, S.; Fich, M.; Taylor, R.

1999-12-01

A summary of research activities carried out in this eighth and final progress report. The final report includes: this summary document, copies of three published research papers, plus a draft manuscript of a fourth research paper entitled "The Contribution of Ionizing Stars to the FarInfrared and Radio Emission in the Milky Way; Evidence for a Swept-up Shell and Diffuse Ionized Halo around the W4 Chimney/Supershell." The main activity during the final quarterly reporting period was research on W4, including analysis of the radio and far-infrared images, generation of shell models, a literature search, and preparation of a research manuscript. There will be additional consultation with co-authors prior to submission of the paper to the Astrophysical Journal. The results will be presented at the 4th Tetons Summer Conference on "Galactic Structure, Stars, and the ISM" in May 2000. In this fourth and last paper we show W4 has a swept-up partially ionized shell of gas and dust which is powered by the OCl 352 star cluster. Analysis shows there is dense interstellar material directly below the shell, evidence that that the lower W4 shell "ran into a brick wall" and stalled, whereas the upper W4 shell achieved "breakout" to form a Galactic chimney. An ionized halo is evidence of Lyman continuum leakage which ionizes the WIM (warm ionized medium). It has long been postulated that the strong winds and abundant ionizing photons from massive stars are responsible for much of the large scale structure in the interstellar medium (ISM), including the ISM in other galaxies. However standard HII region theory predicts few photons will escape the local HII region. The significance of W4 and this work is it provides a direct example of how stellar winds power a galactic chimney, which in turn leads to a low density cavity from which ionizing photons can escape to large distances to ionize the WIM.

The Contribution of Ionizing Stars to the Far-Infrared and Radio Emission in the Galaxy

NASA Technical Reports Server (NTRS)

Terebey, S.; Fich, M.; Taylor, R.

1999-01-01

A summary of research activities carried out in this eighth and final progress report. The final report includes: this summary document, copies of three published research papers, plus a draft manuscript of a fourth research paper entitled "The Contribution of Ionizing Stars to the FarInfrared and Radio Emission in the Milky Way; Evidence for a Swept-up Shell and Diffuse Ionized Halo around the W4 Chimney/Supershell." The main activity during the final quarterly reporting period was research on W4, including analysis of the radio and far-infrared images, generation of shell models, a literature search, and preparation of a research manuscript. There will be additional consultation with co-authors prior to submission of the paper to the Astrophysical Journal. The results will be presented at the 4th Tetons Summer Conference on "Galactic Structure, Stars, and the ISM" in May 2000. In this fourth and last paper we show W4 has a swept-up partially ionized shell of gas and dust which is powered by the OCl 352 star cluster. Analysis shows there is dense interstellar material directly below the shell, evidence that that the lower W4 shell "ran into a brick wall" and stalled, whereas the upper W4 shell achieved "breakout" to form a Galactic chimney. An ionized halo is evidence of Lyman continuum leakage which ionizes the WIM (warm ionized medium). It has long been postulated that the strong winds and abundant ionizing photons from massive stars are responsible for much of the large scale structure in the interstellar medium (ISM), including the ISM in other galaxies. However standard HII region theory predicts few photons will escape the local HII region. The significance of W4 and this work is it provides a direct example of how stellar winds power a galactic chimney, which in turn leads to a low density cavity from which ionizing photons can escape to large distances to ionize the WIM.

Near-Threshold Ionization of Argon by Positron Impact

NASA Astrophysics Data System (ADS)

Babij, T. J.; Machacek, J. R.; Murtagh, D. J.; Buckman, S. J.; Sullivan, J. P.

2018-03-01

The direct single-ionization cross section for Ar by positron impact has been measured in the region above the first ionization threshold. These measurements are compared to semiclassical calculations which give rise to a power law variation of the cross section in the threshold region. The experimental results appear to be in disagreement with extensions to the Wannier theory applied to positron impact ionization, with a smaller exponent than that calculated by most previous works. In fact, in this work, we see no difference in threshold behavior between the positron and electron cases. Possible reasons for this discrepancy are discussed.

SERENA: A suite of four instruments (ELENA, STROFIO, PICAM and MIPA) on board BepiColombo-MPO for particle detection in the Hermean environment

NASA Astrophysics Data System (ADS)

Orsini, S.; Livi, S.; Torkar, K.; Barabash, S.; Milillo, A.; Wurz, P.; di Lellis, A. M.; Kallio, E.; The Serena Team

2010-01-01

'Search for Exospheric Refilling and Emitted Natural Abundances' (SERENA) is an instrument package that will fly on board the BepiColombo/Mercury Planetary Orbiter (MPO). It will investigate Mercury's complex particle environment that is composed of thermal and directional neutral atoms (exosphere) caused by surface release and charge-exchange processes, and of ionized particles caused by photo-ionization of neutrals as well by charge exchange and surface release processes. In order to investigate the structure and dynamics of the environment, an in-situ analysis of the key neutral and charged components is necessary, and for this purpose the SERENA instrument shall include four units: two neutral particle analyzers (Emitted Low Energy Neutral Atoms (ELENA) sensor and Start from a Rotating FIeld mass spectrometer (STROFIO)) and two ion spectrometers (Miniature Ion Precipitation Analyzer (MIPA) and Planetary Ion Camera (PICAM)). The scientific merits of SERENA are presented, and the basic characteristics of the four units are described, with a focus on novel technological aspects.

Calculation of multiphoton ionization processes

NASA Technical Reports Server (NTRS)

Chang, T. N.; Poe, R. T.

1976-01-01

We propose an accurate and efficient procedure in the calculation of multiphoton ionization processes. In addition to the calculational advantage, this procedure also enables us to study the relative contributions of the resonant and nonresonant intermediate states.

Influence of field ionization effect on the divergence of laser-driven fast electrons

NASA Astrophysics Data System (ADS)

Lang, Y.; Yang, X. H.; Xu, H.; Jin, Z.; Zhuo, H. B.

2018-07-01

The effect of field ionization on the divergence of fast electrons (E k ≥ 50 keV), driven by ultrashort-ultraintense laser pulse interaction with plasma, is studied by using 2D3V particle-in-cell simulations. It is found that, due to temperature anisotropy of the fast electrons in the ionizing target, strong fluctuant magnetic fields in the preplasma region is generated through Weibel instability. In turn, the field induces an enhancement of the hot electron divergence for the target with ionization process. Meanwhile, compared with the target without an ionization process, larger divergence of hot electrons can also be seen in the ionizing target with laser intensity varying from 5 × 1019 W/cm2 to 5 × 1020 W/cm2 and the divergence is weakly dependent on target materials for a fixed profile of preplasma. The results here are useful for the application of laser-driven fast electron beams.

Ultrasensitive Ambient Mass Spectrometric Analysis with a Pin-to-Capillary Flowing Atmospheric-Pressure Afterglow Source

PubMed Central

Shelley, Jacob T.; Wiley, Joshua S.; Hieftje, Gary M.

2011-01-01

The advent of ambient desorption/ionization mass spectrometry has resulted in a strong interest in ionization sources that are capable of direct analyte sampling and ionization. One source that has enjoyed increasing interest is the Flowing Atmospheric-Pressure Afterglow (FAPA). FAPA has been proven capable of directly desorbing/ionizing samples in any phase (solid, liquid, or gas) and with impressive limits of detection (<100 fmol). The FAPA was also shown to be less affected by competitive-ionization matrix effects than other plasma-based sources. However, the original FAPA design exhibited substantial background levels, cluttered background spectra in the negative-ion mode, and significant oxidation of aromatic analytes, which ultimately compromised analyte identification and quantification. In the present study, a change in the FAPA configuration from a pin-to-plate to a pin-to-capillary geometry was found to vastly improve performance. Background signals in positive- and negative-ionization modes were reduced by 89% and 99%, respectively. Additionally, the capillary anode strongly reduced the amount of atomic oxygen that could cause oxidation of analytes. Temperatures of the gas stream that interacts with the sample, which heavily influences desorption capabilities, were compared between the two sources by means of IR thermography. The performance of the new FAPA configuration is evaluated through the determination of a variety of compounds in positive- and negative-ion mode, including agrochemicals and explosives. A detection limit of 4 amol was found for the direct determination of the agrochemical ametryn, and appears to be spectrometer-limited. The ability to quickly screen for analytes in bulk liquid samples with the pin-to-capillary FAPA is also shown. PMID:21627097

Ultrasensitive ambient mass spectrometric analysis with a pin-to-capillary flowing atmospheric-pressure afterglow source.

PubMed

Shelley, Jacob T; Wiley, Joshua S; Hieftje, Gary M

2011-07-15

The advent of ambient desorption/ionization mass spectrometry has resulted in a strong interest in ionization sources that are capable of direct analyte sampling and ionization. One source that has enjoyed increasing interest is the flowing atmospheric-pressure afterglow (FAPA). The FAPA has been proven capable of directly desorbing/ionizing samples in any phase (solid, liquid, or gas) and with impressive limits of detection (<100 fmol). The FAPA was also shown to be less affected by competitive-ionization matrix effects than other plasma-based sources. However, the original FAPA design exhibited substantial background levels, cluttered background spectra in the negative-ion mode, and significant oxidation of aromatic analytes, which ultimately compromised analyte identification and quantification. In the present study, a change in the FAPA configuration from a pin-to-plate to a pin-to-capillary geometry was found to vastly improve performance. Background signals in positive- and negative-ionization modes were reduced by 89% and 99%, respectively. Additionally, the capillary anode strongly reduced the amount of atomic oxygen that could cause oxidation of analytes. Temperatures of the gas stream that interacts with the sample, which heavily influences desorption capabilities, were compared between the two sources by means of IR thermography. The performance of the new FAPA configuration is evaluated through the determination of a variety of compounds in positive- and negative-ion mode, including agrochemicals and explosives. A detection limit of 4 amol was found for the direct determination of the agrochemical ametryn and appears to be spectrometer-limited. The ability to quickly screen for analytes in bulk liquid samples with the pin-to-capillary FAPA is also shown.

[Patient exposure to electromagnetic fields in magnetic resonance scanners: a review].

PubMed

Guibelalde del Castillo, E

2013-12-01

The use of non-ionizing electromagnetic fields in the low frequency end of the electromagnetic spectrum and static fields, radiofrequencies (RF), and microwaves is fundamental both in modern communication systems and in diagnostic medical imaging techniques like magnetic resonance imaging (MRI). The proliferation of these applications in recent decades has led to intense activity in developing regulations to guarantee their safety and to the establishment of guidelines and legal recommendations for the public, workers, and patients. In April 2012 it was foreseen that the European Parliament and Council would approve and publish a directive on the minimum health and safety requirements regarding the exposure of workers to the risks arising from electromagnetic fields, which would modify Directive 2004/40/EC. New studies related to the exposure to electromagnetic radiation and its impact on health published in recent years have led to a new postponement, and it is now foreseen that the directive will come into effect in October 2013. One of the most noteworthy aspects of the new version of the directive is the exclusion of the limits of occupational exposure to electromagnetic fields in the clinical use of MRI. In exchange for this exception, physicians and experts in protection against non-ionizing radiation are asked to make additional efforts to train workers exposed to non-ionizing radiation and to establish mechanisms to guarantee the correct application of non-ionizing electromagnetic fields in patients, along similar lines to the principles of justification and optimization established for ionizing radiation. On the basis of the most recently published studies, this article reviews some safety-related aspects to take into account when examining patients with MRI with high magnetic fields. Copyright © 2013 SERAM. Published by Elsevier Espana. All rights reserved.

Picosecond pulse radiolysis of direct and indirect radiolytic effects in highly concentrated halide aqueous solutions.

PubMed

Balcerzyk, Anna; Schmidhammer, Uli; El Omar, Abdel Karim; Jeunesse, Pierre; Larbre, Jean-Philippe; Mostafavi, Mehran

2011-08-25

Recently we measured the amount of the single product, Br(3)(-), of steady-state radiolysis of highly concentrated Br(-) aqueous solutions, and we showed the effect of the direct ionization of Br(-) on the yield of Br(3)(-). Here, we report the first picosecond pulse-probe radiolysis measurements of ionization of highly concentrated Br(-) and Cl(-) aqueous solutions to describe the oxidation mechanism of the halide anions. The transient absorption spectra are reported from 350 to 750 nm on the picosecond range for halide solutions at different concentrations. In the highly concentrated halide solutions, we observed that, due to the presence of Na(+), the absorption band of the solvated electron is shifted to shorter wavelengths, but its decay, taking place during the spur reactions, is not affected within the first 4 ns. The kinetic measurements in the UV reveal the direct ionization of halide ions. The analysis of pulse-probe measurements show that after the electron pulse, the main reactions in solutions containing 1 M of Cl(-) and 2 M of Br(-) are the formation of ClOH(-•) and BrOH(-•), respectively. In contrast, in highly concentrated halide solutions, containing 5 M of Cl(-) and 6 M of Br(-), mainly Cl(2)(-•) and Br(2)(-•) are formed within the electron pulse without formation of ClOH(-•) and BrOH(-•). The results suggest that, not only Br(-) and Cl(-) are directly ionized into Br(•) and Cl(•) by the electron pulse, the halide atoms can also be rapidly generated through the reactions initiated by excitation and ionization of water, such as the prompt oxidation by the hole, H(2)O(+•), generated in the coordination sphere of the anion. © 2011 American Chemical Society

Nanomanipulation-Coupled Matrix-Assisted Laser Desorption/ Ionization-Direct Organelle Mass Spectrometry: A Technique for the Detailed Analysis of Single Organelles

NASA Astrophysics Data System (ADS)

Phelps, Mandy S.; Sturtevant, Drew; Chapman, Kent D.; Verbeck, Guido F.

2016-02-01

We describe a novel technique combining precise organelle microextraction with deposition and matrix-assisted laser desorption/ionization (MALDI) for a rapid, minimally invasive mass spectrometry (MS) analysis of single organelles from living cells. A dual-positioner nanomanipulator workstation was utilized for both extraction of organelle content and precise co-deposition of analyte and matrix solution for MALDI-direct organelle mass spectrometry (DOMS) analysis. Here, the triacylglycerol (TAG) profiles of single lipid droplets from 3T3-L1 adipocytes were acquired and results validated with nanoelectrospray ionization (NSI) MS. The results demonstrate the utility of the MALDI-DOMS technique as it enabled longer mass analysis time, higher ionization efficiency, MS imaging of the co-deposited spot, and subsequent MS/MS capabilities of localized lipid content in comparison to NSI-DOMS. This method provides selective organellar resolution, which complements current biochemical analyses and prompts for subsequent subcellular studies to be performed where limited samples and analyte volume are of concern.

Directed Field Ionization: A Genetic Algorithm for Evolving Electric Field Pulses

NASA Astrophysics Data System (ADS)

Kang, Xinyue; Rowley, Zoe A.; Carroll, Thomas J.; Noel, Michael W.

2017-04-01

When an ionizing electric field pulse is applied to a Rydberg atom, the electron's amplitude traverses many avoided crossings among the Stark levels as the field increases. The resulting superposition determines the shape of the time resolved field ionization spectrum at a detector. An engineered electric field pulse that sweeps back and forth through avoided crossings can control the phase evolution so as to determine the electron's path through the Stark map. In the region of n = 35 in rubidium there are hundreds of potential avoided crossings; this yields a large space of possible pulses. We use a genetic algorithm to search this space and evolve electric field pulses to direct the ionization of the Rydberg electron in rubidium. We present the algorithm along with a comparison of simulated and experimental results. This work was supported by the National Science Foundation under Grants No. 1607335 and No. 1607377 and used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation Grant Number OCI-1053575.

Identifying the Tunneling Site in Strong-Field Ionization of H_{2}^{+}.

PubMed

Liu, Kunlong; Barth, Ingo

2017-12-15

The tunneling site of the electron in a molecule exposed to a strong laser field determines the initial position of the ionizing electron and, as a result, has a large impact on the subsequent ultrafast electron dynamics on the polyatomic Coulomb potential. Here, the tunneling site of the electron of H_{2}^{+} ionized by a strong circularly polarized (CP) laser pulse is studied by numerically solving the time-dependent Schrödinger equation. We show that the electron removed from the down-field site is directly driven away by the CP field and the lateral photoelectron momentum distribution (LPMD) exhibits a Gaussian-like distribution, whereas the corresponding LPMD of the electron removed from the up-field site differs from the Gaussian shape due to the Coulomb focusing and scattering by the down-field core. Our current study presents the direct evidence clarifying a long-standing controversy over the tunneling site in H_{2}^{+} and raises the important role of the tunneling site in strong-field molecular ionization.

Fast quantitative detection of cocaine in beverages using nanoextractive electrospray ionization tandem mass spectrometry.

PubMed

Hu, Bin; Peng, Xuejiao; Yang, Shuiping; Gu, Haiwei; Chen, Huanwen; Huan, Yanfu; Zhang, Tingting; Qiao, Xiaolin

2010-02-01

Without any sample pretreatment, effervescent beverage fluids were manually sprayed into the primary ion plume created by using a nanoelectrospray ionization source for direct ionization, and the analyte ions of interest were guided into an ion trap mass spectrometer for tandem mass analysis. Functional ingredients (e.g., vitamins, taurine, and caffeine, etc.) and spiked impurity (e.g., cocaine) in various beverages, such as Red Bull energy drink, Coco-cola, and Pepsi samples were rapidly identified within 1.5 s. The limit of detection was found to be 7-15 fg (S/N = 3) for cocaine in different samples using the characteristic fragment (m/z 150) observed in the MS(3) experiments. Typical relative standard deviation and recovery of this method were 6.9%-8.6% and 104%-108% for direct analysis of three actual samples, showing that nanoextractive electrospray ionization tandem mass spectrometry is a useful technique for fast screening cocaine presence in beverages. 2010. Published by Elsevier Inc.

Determination of Aspartame and Caffeine in Carbonated Beverages Utilizing Electrospray Ionization-Mass Spectrometry

NASA Astrophysics Data System (ADS)

Bergen, H. Robert, III; Benson, Linda M.; Naylor, Stephen

2000-10-01

Mass spectrometry has undergone considerable changes in the past decade. The advent of "soft ionization" techniques such as electrospray ionization (ESI) affords the direct analysis of very polar molecules without need for the complex inefficient derivatization procedures often required in GC-MS. These ionization techniques make possible the direct mass spectral analysis of polar nonvolatile molecules such as DNA and proteins, which previously were difficult or impossible to analyze by MS. Compounds that readily take on a charge (acids and bases) lend themselves to ESI-MS analysis, whereas compounds that do not readily accept a charge (e.g. sugars) are often not seen or are seen only as inefficient adducts (e.g., M+Na+). To gain exposure to this state-of-the-art analytical procedure, high school students utilize ESI-MS in an analysis of aspartame and caffeine. They dilute a beverage sample and inject the diluted sample into the ESI-MS. The lab is procedurally simple and the results clearly demonstrate the potential and limitations of ESI-coupled mass spectrometry. Depending upon the instructional goals, the outlined procedures can be used to quantify the content of caffeine and aspartame in beverages or to understand the capabilities of electrospray ionization.

Development of soft ionization using direct current pulse glow discharge plasma source in mass spectrometry for volatile organic compounds analysis

NASA Astrophysics Data System (ADS)

Nunome, Yoko; Kodama, Kenji; Ueki, Yasuaki; Yoshiie, Ryo; Naruse, Ichiro; Wagatsuma, Kazuaki

2018-01-01

This study describes an ionization source for mass analysis, consisting of glow discharge plasma driven by a pulsed direct-current voltage for soft plasma ionization, to detect toxic volatile organic compounds (VOCs) rapidly and easily. The novelty of this work is that a molecular adduct ion, in which the parent molecule attaches with an NO+ radical, [M + NO]+, can be dominantly detected as a base peak with little or no fragmentation of them in an ambient air plasma at a pressure of several kPa. Use of ambient air as the discharge plasma gas is suitable for practical applications. The higher pressure in an ambient air discharge provided a stable glow discharge plasma, contributing to the soft ionization of organic molecules. Typical mass spectra of VOCs toluene, benzene, o-xylene, chlorobenzene and n-hexane were observed as [M + NO]+ adduct ion whose peaks were detected at m/z 122, 108, 136, 142 and 116, respectively. The NO generation was also confirmed by emission bands of NO γ-system. The ionization reactions were suggested, such that NO+ radical formed in an ambient air discharge could attach with the analyte molecule.

A Binary-Encounter-Bethe Approach to Simulate DNA Damage by the Direct Effect

NASA Technical Reports Server (NTRS)

Plante, Ianik; Cucinotta, Francis A.

2013-01-01

The DNA damage is of crucial importance in the understanding of the effects of ionizing radiation. The main mechanisms of DNA damage are by the direct effect of radiation (e.g. direct ionization) and by indirect effect (e.g. damage by.OH radicals created by the radiolysis of water). Despite years of research in this area, many questions on the formation of DNA damage remains. To refine existing DNA damage models, an approach based on the Binary-Encounter-Bethe (BEB) model was developed[1]. This model calculates differential cross sections for ionization of the molecular orbitals of the DNA bases, sugars and phosphates using the electron binding energy, the mean kinetic energy and the occupancy number of the orbital. This cross section has an analytic form which is quite convenient to use and allows the sampling of the energy loss occurring during an ionization event. To simulate the radiation track structure, the code RITRACKS developed at the NASA Johnson Space Center is used[2]. This code calculates all the energy deposition events and the formation of the radiolytic species by the ion and the secondary electrons as well. We have also developed a technique to use the integrated BEB cross section for the bases, sugar and phosphates in the radiation transport code RITRACKS. These techniques should allow the simulation of DNA damage by ionizing radiation, and understanding of the formation of double-strand breaks caused by clustered damage in different conditions.

Evidence for unnatural-parity contributions to electron-impact ionization of laser-aligned atoms

DOE PAGES

Armstrong, Gregory S. J.; Colgan, James Patrick; Pindzola, M. S.; ...

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 ionizationmore » from excited Ca and Na atoms.« less

Cross sections for direct and dissociative ionization of NH3 and CS2 by electron impact

NASA Technical Reports Server (NTRS)

Rao, M. V. V. S.; Srivastava, S. K.

1991-01-01

A crossed electron beam-molecular beam collision geometry is used to measure cross sections for the production of positive ions by electron impact on NH3 and CS2. Ionization cross-section data for NH3 and the values of various cross sections are presented, as well as ionization efficiency curves for CS2. Considerable differences are found between the various results on NH3. The present values are close to the data of Djuric et al. (1981). The semiempirical calculations of Hare and Meath (1987) differ considerably in the absolute values of cross sections. Discrepancies were observed in comparisons of cross sections of other fragment ions resulting from the ionization and dissociate ionization of NH3.

Electron impact ionization-excitation of Helium

NASA Astrophysics Data System (ADS)

Ancarani, Lorenzo Ugo; Gomez, A. I.; Gasaneo, G.; Mitnik, D. M.; Ambrosio, M. J.

2016-09-01

We calculate triple differential cross sections (TDCS) for the process of ionization-excitation of Helium by fast electron impact in which the residual ion is left in the n =2 excited state. We chose the strongly asymmetric kinematics used in the experiment performed by Dupré et al.. In a perturbative scheme, for high projectile energies the four-body problem reduces to a three-body one and, within that framework, we solve the time- independent Schrödinger equation with a Sturmian approach. The method, based on Generalized Sturmian Functions (GSF), is employed to obtain the initial ground state of Helium, the single-continuum state and the scattering wave function; for each of them, the GSF basis is constructed with the corresponding adequate asymptotic conditions. Besides, the method presents the following advantage: the scattering amplitudes can be extracted directly in the asymptotic region of the scattering solution, and thus the TDCS can be obtained without requiring a matrix element evaluation.

Time-resolved quantitative-phase microscopy of laser-material interactions using a wavefront sensor.

PubMed

Gallais, Laurent; Monneret, Serge

2016-07-15

We report on a simple and efficient technique based on a wavefront sensor to obtain time-resolved amplitude and phase images of laser-material interactions. The main interest of the technique is to obtain quantitative self-calibrated phase measurements in one shot at the femtosecond time-scale, with high spatial resolution. The technique is used for direct observation and quantitative measurement of the Kerr effect in a fused silica substrate and free electron generation by photo-ionization processes in an optical coating.

The absorption of energetic electrons by molecular hydrogen gas

NASA Technical Reports Server (NTRS)

Cravens, T. E.; Victor, G. A.; Dalgarno, A.

1975-01-01

The processes by which energetic electrons lose energy in a weakly ionized gas of molecular hydrogen are analyzed, and calculations are carried out taking into account the discrete nature of the excitation processes. The excitation, ionization, and heating efficiencies are computed for electrons with energies up to 100 eV absorbed in a gas with fractional ionizations up to 0.01, and the mean energy per pair of neutral hydrogen atoms is calculated.

Electron energy deposition in N2 gas

NASA Technical Reports Server (NTRS)

Fox, J. L.; Victor, G. A.

1988-01-01

The processes by which energetic electrons lose energy in a weakly ionized gas of molecular nitrogen are analyzed and calculations are carried out taking into account the discrete nature of the excitation processes. The excitation, ionization, dissociation and heating efficiencies are computed for energies up to 200 eV absorbed in a gas with fractional ionizations varying from 10(-6) to 10(-2). Individual vibrational excitations up to the seventh vibrational level are presented.

Molecular interferometer to decode attosecond electron-nuclear dynamics.

PubMed

Palacios, Alicia; González-Castrillo, Alberto; Martín, Fernando

2014-03-18

Understanding the coupled electronic and nuclear dynamics in molecules by using pump-probe schemes requires not only the use of short enough laser pulses but also wavelengths and intensities that do not modify the intrinsic behavior of the system. In this respect, extreme UV pulses of few-femtosecond and attosecond durations have been recognized as the ideal tool because their short wavelengths ensure a negligible distortion of the molecular potential. In this work, we propose the use of two twin extreme UV pulses to create a molecular interferometer from direct and sequential two-photon ionization processes that leave the molecule in the same final state. We theoretically demonstrate that such a scheme allows for a complete identification of both electronic and nuclear phases in the wave packet generated by the pump pulse. We also show that although total ionization yields reveal entangled electronic and nuclear dynamics in the bound states, doubly differential yields (differential in both electronic and nuclear energies) exhibit in addition the dynamics of autoionization, i.e., of electron correlation in the ionization continuum. Visualization of such dynamics is possible by varying the time delay between the pump and the probe pulses.

Identification of conserved pathways of DNA-damage response and radiation protection by genome-wide RNAi.

PubMed

van Haaften, Gijs; Romeijn, Ron; Pothof, Joris; Koole, Wouter; Mullenders, Leon H F; Pastink, Albert; Plasterk, Ronald H A; Tijsterman, Marcel

2006-07-11

Ionizing radiation is extremely harmful for human cells, and DNA double-strand breaks (DSBs) are considered to be the main cytotoxic lesions induced. Improper processing of DSBs contributes to tumorigenesis, and mutations in DSB response genes underlie several inherited disorders characterized by cancer predisposition. Here, we performed a comprehensive screen for genes that protect animal cells against ionizing radiation. A total of 45 C. elegans genes were identified in a genome-wide RNA interference screen for increased sensitivity to ionizing radiation in germ cells. These genes include orthologs of well-known human cancer predisposition genes as well as novel genes, including human disease genes not previously linked to defective DNA-damage responses. Knockdown of eleven genes also impaired radiation-induced cell-cycle arrest, and seven genes were essential for apoptosis upon exposure to irradiation. The gene set was further clustered on the basis of increased sensitivity to DNA-damaging cancer drugs cisplatin and camptothecin. Almost all genes are conserved across animal phylogeny, and their relevance for humans was directly demonstrated by showing that their knockdown in human cells results in radiation sensitivity, indicating that this set of genes is important for future cancer profiling and drug development.

Measurements of the structure of an ionizing shock wave in a hydrogen-helium mixture

NASA Technical Reports Server (NTRS)

Leibowitz, L. P.

1972-01-01

Shock structure during ionization of a hydrogen-helium mixture was studied using hydrogen line and continuum emission measurements. A reaction scheme is proposed which includes hydrogen dissociation and a two-step excitation-ionization mechanism for hydrogen ionization by atom-atom and atom-electron collisions. Agreement was achieved between numerical calculations and measurements of emission intensity as a function of time for shock velocities from 13 to 20 km/sec in a 0.208 H2 - 0.792 He mixture. The electron temperature was found to be significantly different from the heavy particle temperature during much of the ionization process. Similar time histories for H beta and continuum emission indicate upper level populations of hydrogen in equilibrium with the electron concentration during the relaxation process.

Measurements of the structure of an ionizing shock wave in a hydrogen-helium mixture.

NASA Technical Reports Server (NTRS)

Leibowitz, L. P.

1973-01-01

Shock structure during ionization of a hydrogen-helium mixture has been followed using hydrogen line and continuum emission measurements. A reaction scheme is proposed which includes hydrogen dissociation and a two-step excitation-ionization mechanism for hydrogen ionization by atom-atom and atom-electron collisions. Agreement has been achieved between numerical calculations and measurements of emission intensity as a function of time for shock velocities from 13 to 20 km/sec in a 0.208 H2-0.792 He mixture. The electron temperature was found to be significantly different from the heavy particle temperature during much of the ionization process. Similar time histories for H beta and continuum emission indicate upper level populations of hydrogen in equilibrium with the electron concentration during the relaxation process.

European Federation of Organisations for Medical Physics (EFOMP) policy statement 12.1: Recommendations on medical physics education and training in Europe 2014.

PubMed

Caruana, C J; Christofides, S; Hartmann, G H

2014-09-01

In 2010, EFOMP issued Policy Statement No. 12: "The present status of Medical Physics Education and Training in Europe. New perspectives and EFOMP recommendations" to be applied to education and training in Medical Physics within the context of the developments in the European Higher Education Area arising from the Bologna Declaration and with a view to facilitate the free movement of Medical Physics professionals within Europe. Concurrently, new recommendations regarding qualifications frameworks were published by the European Parliament and Council which introduced new terminology and a new qualifications framework - the European Qualifications Framework (EQF) for lifelong learning. In addition, a new European directive involving the medical use of ionizing radiations and set to replace previous directives in this area was in the process of development. This has now been realized as Council Directive 2013/59/Euratom of 5 December 2013 which has repealed directive 97/43/Euratom. In this regard, a new document was developed in the context of the EC financed project "European Guidelines on the Medical Physics Expert" and published as RP174. Among other items, these guidelines refer to the mission statement, key activities, qualification framework and curricula for the specialty areas of Medical Physics relating to radiological devices and protection from ionizing radiation. These developments have made necessary an update of PS12; this policy statement provides the necessary update. Copyright © 2014. Published by Elsevier Ltd.

The role of exciton ionization processes in bulk heterojunction organic photovoltaic cells

NASA Astrophysics Data System (ADS)

Zou, Yunlong; Holmes, Russell

2015-03-01

Dissociating photogenerated excitons into their constituent charges is essential for efficient photoconversion in organic semiconductors. Organic photovoltaics cells (OPV) widely adopt a heterojunction architecture where dissociation is facilitated by charge transfer at a donor-acceptor (D-A) interface. Interestingly, recent work on MoOx/C60 Schottky OPVs has demonstrated that excitons in C60 may also undergo bulk-ionization to generate photocurrent, driven by the built-in field at the MoOx/C60 interface. Here, we show that bulk-ionization processes also contribute to the photocurrent in bulk heterojunction (BHJ) OPVs with fullerene-rich compositions. The short-circuit current density (JSC) in a MoOx/C60 Schottky OPVs shows almost no dependence on temperature down to 80 K. This characteristic of bulk-ionization allows the use of temperature-dependent measurements of JSC to distinguish dissociation by bulk-ionization from charge transfer at a D-A interface. For BHJ OPVs constructed using the D-A pairing of boron subphthalocyanine chloride (SubPc)-C60, bulk-ionization is found to contribute >10% of the total photocurrent and >30% of the photocurrent from C60. We further find that fullerene-rich SubPc-C60 BHJ OPVs show a larger open-circuit voltage (VOC) than evenly mixed BHJs due to the presence of bulk-ionization. This talk will examine the dependence of JSC and VOC on the relative fraction of dissociation by charge transfer and bulk-ionization processes.

Design for gas chromatography-corona discharge-ion mobility spectrometry.

PubMed

Jafari, Mohammad T; Saraji, Mohammad; Sherafatmand, Hossein

2012-11-20

A corona discharge ionization-ion mobility spectrometry (CD-IMS) with a novel sample inlet system was designed and constructed as a detector for capillary gas chromatography. In this design, a hollow needle was used instead of a solid needle which is commonly used for corona discharge creation, helping us to have direct axial interfacing for GC-IMS. The capillary column was passed through the needle, resulting in a reaction of effluents with reactant ions on the upstream side of the corona discharge ionization source. Using this sample introduction design, higher ionization efficiency was achieved relative to the entrance direction through the side of the drift tube. In addition, the volume of the ionization region was reduced to minimize the resistance time of compounds in the ionization source, increasing chromatographic resolution of the instrument. The effects of various parameters such as drift gas flow, makeup gas flow, and column tip position inside the needle were investigated. The designed instrument was exhaustively validated in terms of sensitivity, resolution, and reproducibility by analyzing the standard solutions of methyl isobutyl ketone, heptanone, nonanone, and acetophenone as the test compounds. The results obtained by CD-IMS detector were compared with those of the flame ionization detector, which revealed the capability of the proposed GC-IMS for two-dimensional separation (based on the retention time and drift time information) and identification of an analyte in complex matrixes.

The Measurement of Sulfur Oxidation Products and Their Role in Homogeneous Nucleation

NASA Technical Reports Server (NTRS)

Eisele, F. L.

1999-01-01

An improved version of a transverse ion source was developed which uses selected ion chemical ionization mass spectrometry techniques inside of a particle nucleation flow tube. These new techniques are very unique, in that the chemical ionization is done inside of the flow tube rather than by having to remove the compounds and clusters of interest which are lost on first contact,with any surfaces. The transverse source is also unique because it allows the ion reaction time to be varied over more than an order of magnitude, which in turn makes possible the separation of ion induced cluster growth from the charging of preexisting molecular clusters. As a result of combining these unique capabilities, the first ever measurements of prenucleation molecular clusters were performed. These clusters are the intermediate stage of growth in the gas-to-particle conversion process. This new technique provides a means of observing clusters containing 2, 3, 4, ... and up to about 8 sulfuric acid molecules, where the critical cluster size under these measurement conditions was about 4 or 5. Thus, the nucleation process can now be directly observed and even growth beyond the critical cluster size can be investigated. The details of this investigation are discussed in a recently submitted paper, which is included as Appendix A. Measurements of the diffusion coefficient of sulfuric acid and sulfuric acid clustered with a water molecule have also been performed. The measurements are also discussed in more detail in another recently submitted paper which is included as Appendix B. The empirical results discussed in both of these papers provide a critical test of present nucleation theories. They also provide new hope for resolving many of the huge discrepancies between field observation and model prediction of particle nucleation. The second part of the research conducted under this project was directed towards the development of new chemical ionization techniques for measuring sulfur oxidation products.

Two-color above-threshold and two-photon sequential double ionization beyond the dipole approximation

NASA Astrophysics Data System (ADS)

Grum-Grzhimailo, A. N.; Gryzlova, E. V.; Kuzmina, E. I.; Chetverkina, A. S.; Strakhova, S. I.

2015-04-01

Two nonlinear atomic photoprocesses are theoretically considered with the emphasis on the photoelectron angular distributions and their modifications due to violation of the dipole approximation: sequential two-photon double ionization and two-color above threshold ionization. These reactions are now accessible with X-ray free electron lasers. Both processes are exemplified by the ionization of krypton: from the 4p shell in the sequential two-photon double ionization and from the 2s shell in the two-color above-threshold ionization, which are compared to the Ar(3p) and Ne(1s) ionization, respectively. Noticeable nondipole effects are predicted.

Cumulative effective radiation dose received by blunt trauma patients arriving to a military level I trauma center from point of injury and interhospital transfers.

PubMed

Van Arnem, Kerri A; Supinski, David P; Tucker, Jonathan E; Varney, Shawn

2016-12-01

Trauma patients sustaining blunt injuries are exposed to multiple radiologic studies. Evidence indicates that the risk of cancer from exposure to ionizing radiation rises in direct proportion to the cumulative effective dose (CED) received. The purpose of this study is to quantify the amount of ionizing radiation accumulated when arriving directly from point of injury to San Antonio Military Medical Center (SAMMC), a level I trauma center, compared with those transferred from other facilities. A retrospective record review was conducted from 1st January 2010 through 31st December 2012. The SAMMC trauma registry, electronic medical records, and the digital radiology imaging system were searched for possible candidates. The medical records were then analyzed for sex, age, mechanism of injury, received directly from point of injury (direct group), transfer from another medical facility (transfer group), computed tomographic scans received, dose-length product, CED of radiation, and injury severity score. A diagnostic imaging physicist then calculated the estimated CED each subject received based on the dose-length product of each computed tomographic scan. A total of 300 patients were analyzed, with 150 patients in the direct group and 150 patients in the transfer group. Both groups were similar in age and sex. Patients in the transfer group received a significantly greater CED of radiation compared with the direct group (mean, 37.6 mSv vs 28 mSv; P=.001). The radiation received in the direct group correlates with a lifetime attributable risk (LAR) of 1 in 357 compared with the transfer group with an increase in LAR to 1 in 266. Patients transferred to our facility received a 34% increase in ionizing radiation compared with patients brought directly from the injury scene. This increased dose of ionizing radiation contributes to the LAR of cancer and needs to be considered before repeating imaging studies. III. Published by Elsevier Inc.

Dissociative recombination of HCl+

NASA Astrophysics Data System (ADS)

Larson, Åsa; Fonseca dos Santos, Samantha; E. Orel, Ann

2017-08-01

The dissociative recombination of HCl+, including both the direct and indirect mechanisms, is studied. For the direct process, the relevant electronic states are calculated ab initio by combining electron scattering calculations to obtain resonance positions and autoionization widths with multi-reference configuration interaction calculations of the ion and Rydberg states. The cross section for the direct dissociation along electronic resonant states is computed by solution of the time-dependent Schrödinger equation. For the indirect process, an upper bound value for the cross section is obtained using a vibrational frame transformation of the elements of the scattering matrix at energies just above the ionization threshold. Vibrational excitations of the ionic core from the ground vibrational state, v = 0 , to the first three excited vibrational states, v = 1 , v = 2 , and v = 3 , are considered. Autoionization is neglected and the effect of the spin-orbit splitting of the ionic potential energy upon the indirect dissociative recombination cross section is considered. The calculated cross sections are compared to measurements.

Dissociative recombination of HCl.

PubMed

Larson, Åsa; Fonseca Dos Santos, Samantha; E Orel, Ann

2017-08-28

The dissociative recombination of HCl + , including both the direct and indirect mechanisms, is studied. For the direct process, the relevant electronic states are calculated ab initio by combining electron scattering calculations to obtain resonance positions and autoionization widths with multi-reference configuration interaction calculations of the ion and Rydberg states. The cross section for the direct dissociation along electronic resonant states is computed by solution of the time-dependent Schrödinger equation. For the indirect process, an upper bound value for the cross section is obtained using a vibrational frame transformation of the elements of the scattering matrix at energies just above the ionization threshold. Vibrational excitations of the ionic core from the ground vibrational state, v = 0, to the first three excited vibrational states, v = 1, v = 2, and  v = 3, are considered. Autoionization is neglected and the effect of the spin-orbit splitting of the ionic potential energy upon the indirect dissociative recombination cross section is considered. The calculated cross sections are compared to measurements.

Photoemission and photoionization time delays and rates

PubMed Central

Gallmann, L.; Jordan, I.; Wörner, H. J.; Castiglioni, L.; Hengsberger, M.; Osterwalder, J.; Arrell, C. A.; Chergui, M.; Liberatore, E.; Rothlisberger, U.; Keller, U.

2017-01-01

Ionization and, in particular, ionization through the interaction with light play an important role in fundamental processes in physics, chemistry, and biology. In recent years, we have seen tremendous advances in our ability to measure the dynamics of photo-induced ionization in various systems in the gas, liquid, or solid phase. In this review, we will define the parameters used for quantifying these dynamics. We give a brief overview of some of the most important ionization processes and how to resolve the associated time delays and rates. With regard to time delays, we ask the question: how long does it take to remove an electron from an atom, molecule, or solid? With regard to rates, we ask the question: how many electrons are emitted in a given unit of time? We present state-of-the-art results on ionization and photoemission time delays and rates. Our review starts with the simplest physical systems: the attosecond dynamics of single-photon and tunnel ionization of atoms in the gas phase. We then extend the discussion to molecular gases and ionization of liquid targets. Finally, we present the measurements of ionization delays in femto- and attosecond photoemission from the solid–vacuum interface. PMID:29308414

TH-CD-BRA-05: First Water Calorimetric Dw Measurement and Direct Measurement of Magnetic Field Correction Factors, KQ,B, in a 1.5 T B-Field of An MRI Linac

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prez, L de; Pooter, J de; Jansen, B

2016-06-15

Purpose: Reference dosimetry in MR-guided radiotherapy is performed in the presence of a B-field. As a consequence the response of ionization chambers changes considerably and depends on parameters not considered in traditional reference dosimetry. Therefore future Codes of Practices need ionization chamber correction factors to correct for both the change in beam quality and the presence of a B-field. The objective was to study the feasibility of water calorimetric absorbed-dose measurements in a 1.5 T B-field of an MRLinac and the direct measurement of kQ,B calibration of ionization chambers. Methods: Calorimetric absorbed dose to water Dw was measured with amore » new water calorimeter in the bore of an MRLinac (TPR20,10 of 0.702). Two waterproof ionization chambers (PTW 30013, IBA FC-65G) were calibrated inside the calorimeter phantom (ND,w,Q,B). Both measurements were normalized to a monitor ionization chamber. Ionization chamber measurements were corrected for conventional influence parameter. Based on the chambers’ Co-60 calibrations (ND,w,Q0), measured directly against the calorimeter. In this study the correction factors kQ,B was determined as the ratio of the calibration coefficients in the MRLinac and in Co-60. Additionally, kB was determined based on kQ values obtained with the IAEA TRS-398 Code of Practice. Results: The kQ,B factors of the ionization chambers mentioned above were respectively 0.9488(8) and 0.9445(8) with resulting kB factors of 0.961(13) and 0.952(13) with standard uncertainties on the least significant digit(s) between brackets. Conclusion: Calorimetric Dw measurements and calibration of waterproof ionization chambers were successfully carried out in the 1.5 T B-field of an MRLinac with a standard uncertainty of 0.7%. Preliminary kQ,B and kB factors were determined with standard uncertainties of respectively 0.8% and 1.3%. The kQ,B agrees with an alternative method within 0.4%. The feasibility of water calorimetry in the presence of B-fields was demonstrated by the direct determination of Dw and kQ,B. This work was supported by EMRP grant HLT06. The EMRP is jointly funded by the EMRP participating countries within EURAMET and the European Union.« less

Solid-Phase Microextraction Coupled to Capillary Atmospheric Pressure Photoionization-Mass Spectrometry for Direct Analysis of Polar and Nonpolar Compounds.

PubMed

Mirabelli, Mario F; Zenobi, Renato

2018-04-17

A novel capillary ionization source based on atmospheric pressure photoionization (cAPPI) was developed and used for the direct interfacing between solid-phase microextraction (SPME) and mass spectrometry (MS). The efficiency of the source was evaluated for direct and dopant-assisted photoionization, analyzing both polar (e.g., triazines and organophosphorus pesticides) and nonpolar (polycyclic aromatic hydrocarbons, PAHs) compounds. The results show that the range of compound polarity, which can be addressed by direct SPME-MS can be substantially extended by using cAPPI, compared to other sensitive techniques like direct analysis in real time (DART) and dielectric barrier discharge ionization (DBDI). The new source delivers a very high sensitivity, down to sub parts-per-trillion (ppt), making it a viable alternative when compared to previously reported and less comprehensive direct approaches.

Radiative effects during the assembly of direct collapse black holes

NASA Astrophysics Data System (ADS)

Smith, Aaron; Becerra, Fernando; Bromm, Volker; Hernquist, Lars

2017-11-01

We perform a post-processing radiative feedback analysis on a 3D ab initio cosmological simulation of an atomic cooling halo under the direct collapse black hole (DCBH) scenario. We maintain the spatial resolution of the simulation by incorporating native ray-tracing on unstructured mesh data, including Monte Carlo Lyman α (Ly α) radiative transfer. DCBHs are born in gas-rich, metal-poor environments with the possibility of Compton-thick conditions, NH ≳ 1024 cm-2. Therefore, the surrounding gas is capable of experiencing the full impact of the bottled-up radiation pressure. In particular, we find that multiple scattering of Ly α photons provides an important source of mechanical feedback after the gas in the sub-parsec region becomes partially ionized, avoiding the bottleneck of destruction via the two-photon emission mechanism. We provide detailed discussion of the simulation environment, expansion of the ionization front, emission and escape of Ly α radiation, and Compton scattering. A sink particle prescription allows us to extract approximate limits on the post-formation evolution of the radiative feedback. Fully coupled Ly α radiation hydrodynamics will be crucial to consider in future DCBH simulations.

Authentication of animal fats using direct analysis in real time (DART) ionization-mass spectrometry and chemometric tools.

PubMed

Vaclavik, Lukas; Hrbek, Vojtech; Cajka, Tomas; Rohlik, Bo-Anne; Pipek, Petr; Hajslova, Jana

2011-06-08

A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible.

MALDI-TOF identification of Gram-negative bacteria directly from blood culture bottles containing charcoal: Sepsityper® kits versus centrifugation-filtration method.

PubMed

Riederer, Kathleen; Cruz, Kristian; Shemes, Stephen; Szpunar, Susan; Fishbain, Joel T

2015-06-01

Matrix-assisted laser desorption ionization time-of-flight (MALDI-TOF) mass spectrometry has dramatically altered the way microbiology laboratories identify clinical isolates. Direct blood culture (BC) detection may be hampered, however, by the presence of charcoal in BC bottles currently in clinical use. This study evaluates an in-house process for extraction and MALDI-TOF identification of Gram-negative bacteria directly from BC bottles containing charcoal. Three hundred BC aliquots were extracted by a centrifugation-filtration method developed in our research laboratory with the first 96 samples processed in parallel using Sepsityper® kits. Controls were colonies from solid media with standard phenotypic and MALDI-TOF identification. The identification of Gram-negative bacteria was successful more often via the in-house method compared to Sepsityper® kits (94.7% versus 78.1%, P≤0.0001). Our in-house centrifugation-filtration method was further validated for isolation and identification of Gram-negative bacteria (95%; n=300) directly from BC bottles containing charcoal. Copyright © 2015 Elsevier Inc. All rights reserved.

[Participation of final products of lipid peroxidation in the anticancer mechanism of ionizing radiation and radiomimetic cytostatics].

PubMed

Przybyszewski, W M

2001-01-01

This review reports the evidence for the participation of final products of lipid peroxidation in the anticancer mechanism of ionising radiation and radiomimetic cytostatics. Processes of lipid peroxidation occur endogenously in response to oxidative stress and great diversity of reactive metabolites is formed. However, direct observation of radical reaction in pathophysiology of cells, tissues and organs is limited technically. Most investigations focused on the indirect assessment of their final products, aldehydes. The peroxidative breakdown of polyunsaturated fatty acids is believed to be involved in the regulation of cell division, and antitumor effect through biochemical and genetic processes.

Mass spectrometry of acoustically levitated droplets.

PubMed

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

2008-08-01

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

Mass Spectrometry of Acoustically Levitated Droplets

PubMed Central

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

2008-01-01

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

Advanced PIC-MCC simulation for the investigation of step-ionization effect in intermediate-pressure capacitively coupled plasmas

NASA Astrophysics Data System (ADS)

Kim, Jin Seok; Hur, Min Young; Kim, Chang Ho; Kim, Ho Jun; Lee, Hae June

2018-03-01

A two-dimensional parallelized particle-in-cell simulation has been developed to simulate a capacitively coupled plasma reactor. The parallelization using graphics processing units is applied to resolve the heavy computational load. It is found that the step-ionization plays an important role in the intermediate gas pressure of a few Torr. Without the step-ionization, the average electron density decreases while the effective electron temperature increases with the increase of gas pressure at a fixed power. With the step-ionization, however, the average electron density increases while the effective electron temperature decreases with the increase of gas pressure. The cases with the step-ionization agree well with the tendency of experimental measurement. The electron energy distribution functions show that the population of electrons having intermediate energy from 4.2 to 12 eV is relaxed by the step-ionization. Also, it was observed that the power consumption by the electrons is increasing with the increase of gas pressure by the step-ionization process, while the power consumption by the ions decreases with the increase of gas pressure.

Few-cycle attosecond pulse chirp effects on asymmetries in ionized electron momentum distributions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peng Liangyou; Tan Fang; Gong Qihuang

2009-07-15

The momentum distributions of electrons ionized from H atoms by chirped few-cycle attosecond pulses are investigated by numerically solving the time-dependent Schroedinger equation. The central carrier frequency of the pulse is chosen to be 25 eV, which is well above the ionization threshold. The asymmetry (or difference) in the yield of electrons ionized along and opposite to the direction of linear laser polarization is found to be very sensitive to the pulse chirp (for pulses with fixed carrier-envelope phase), both for a fixed electron energy and for the energy-integrated yield. In particular, the larger the pulse chirp, the larger themore » number of times the asymmetry changes sign as a function of ionized electron energy. For a fixed chirp, the ionized electron asymmetry is found to be sensitive also to the carrier-envelope phase of the few-cycle pulse.« less

Coulomb-repulsion-assisted double ionization from doubly excited states of argon

NASA Astrophysics Data System (ADS)

Liao, Qing; Winney, Alexander H.; Lee, Suk Kyoung; Lin, Yun Fei; Adhikari, Pradip; Li, Wen

2017-08-01

We report a combined experimental and theoretical study to elucidate nonsequential double-ionization dynamics of argon atoms at laser intensities near and below the recollision-induced ionization threshold. Three-dimensional momentum measurements of two electrons arising from strong-field nonsequential double ionization are achieved with a custom-built electron-electron-ion coincidence apparatus, showing laser intensity-dependent Coulomb repulsion effect between the two outgoing electrons. Furthermore, a previously predicted feature of double ionization from doubly excited states is confirmed in the distributions of sum of two-electron momenta. A classical ensemble simulation suggests that Coulomb-repulsion-assisted double ionization from doubly excited states is at play at low laser intensity. This mechanism can explain the dependence of Coulomb repulsion effect on the laser intensity, as well as the transition from side-by-side to back-to-back dominant emission along the laser polarization direction.

Identification of blood culture isolates directly from positive blood cultures by use of matrix-assisted laser desorption ionization-time of flight mass spectrometry and a commercial extraction system: analysis of performance, cost, and turnaround time.

PubMed

Lagacé-Wiens, Philippe R S; Adam, Heather J; Karlowsky, James A; Nichol, Kimberly A; Pang, Paulette F; Guenther, Jodi; Webb, Amanda A; Miller, Crystal; Alfa, Michelle J

2012-10-01

Matrix-assisted laser desorption ionization-time of flight (MALDI-TOF) mass spectrometry represents a revolution in the rapid identification of bacterial and fungal pathogens in the clinical microbiology laboratory. Recently, MALDI-TOF has been applied directly to positive blood culture bottles for the rapid identification of pathogens, leading to reductions in turnaround time and potentially beneficial patient impacts. The development of a commercially available extraction kit (Bruker Sepsityper) for use with the Bruker MALDI BioTyper has facilitated the processing required for identification of pathogens directly from positive from blood cultures. We report the results of an evaluation of the accuracy, cost, and turnaround time of this method for 61 positive monomicrobial and 2 polymicrobial cultures representing 26 species. The Bruker MALDI BioTyper with the Sepsityper gave a valid (score, >1.7) identification for 85.2% of positive blood cultures with no misidentifications. The mean reduction in turnaround time to identification was 34.3 h (P < 0.0001) in the ideal situation where MALDI-TOF was used for all blood cultures and 26.5 h in a more practical setting where conventional identification or identification from subcultures was required for isolates that could not be directly identified by MALDI-TOF. Implementation of a MALDI-TOF-based identification system for direct identification of pathogens from blood cultures is expected to be associated with a marginal increase in operating costs for most laboratories. However, the use of MALDI-TOF for direct identification is accurate and should result in reduced turnaround time to identification.

Direct analysis of terpenes from biological buffer systems using SESI and IR-MALDESI.

PubMed

Nazari, Milad; Malico, Alexandra A; Ekelöf, Måns; Lund, Sean; Williams, Gavin J; Muddiman, David C

2018-01-01

Terpenes are the largest class of natural products with a wide range of applications including use as pharmaceuticals, fragrances, flavorings, and agricultural products. Terpenes are biosynthesized by the condensation of a variable number of isoprene units resulting in linear polyisoprene diphosphate units, which can then be cyclized by terpene synthases into a range of complex structures. While these cyclic structures have immense diversity and potential in different applications, their direct analysis in biological buffer systems requires intensive sample preparation steps such as salt cleanup, extraction with organic solvents, and chromatographic separations. Electrospray post-ionization can be used to circumvent many sample cleanup and desalting steps. SESI and IR-MALDESI are two examples of ionization methods that employ electrospray post-ionization at atmospheric pressure and temperature. By coupling the two techniques and doping the electrospray solvent with silver ions, olefinic terpenes of different classes and varying degrees of volatility were directly analyzed from a biological buffer system with no sample workup steps.

Direct Analysis of Triterpenes from High-Salt Fermented Cucumbers Using Infrared Matrix-Assisted Laser Desorption Electrospray Ionization (IR-MALDESI)

NASA Astrophysics Data System (ADS)

Ekelöf, Måns; McMurtrie, Erin K.; Nazari, Milad; Johanningsmeier, Suzanne D.; Muddiman, David C.

2017-02-01

High-salt samples present a challenge to mass spectrometry (MS) analysis, particularly when electrospray ionization (ESI) is used, requiring extensive sample preparation steps such as desalting, extraction, and purification. In this study, infrared matrix-assisted laser desorption electrospray ionization (IR-MALDESI) coupled to a Q Exactive Plus mass spectrometer was used to directly analyze 50-μm thick slices of cucumber fermented and stored in 1 M sodium chloride brine. From the several hundred unique substances observed, three triterpenoid lipids produced by cucumbers, β-sitosterol, stigmasterol, and lupeol, were putatively identified based on exact mass and selected for structural analysis. The spatial distribution of the lipids were imaged, and the putative assignments were confirmed by tandem mass spectrometry performed directly on the same cucumber, demonstrating the capacity of the technique to deliver confident identifications from highly complex samples in molar concentrations of salt without the need for sample preparation.

IONIZED GAS IN THE FIRST 10 kpc OF THE INTERSTELLAR GALACTIC HALO: METAL ION FRACTIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Howk, J. Christopher; Consiglio, S. Michelle, E-mail: jhowk@nd.edu, E-mail: smconsiglio@ucla.edu

2012-11-10

We present direct measures of the ionization fractions of several sulfur ions in the Galactic warm ionized medium (WIM). We obtained high-resolution ultraviolet absorption-line spectroscopy of post-asymptotic giant branch stars in the globular clusters Messier 3 [(l, b) = (42.{sup 0}2, +78.{sup 0}7), d = 10.2 kpc, and z = 10.0 kpc] and Messier 5 [(l, b) = (3.{sup 0}9, +46.{sup 0}8), d = 7.5 kpc, and z = +5.3 kpc] with the Hubble Space Telescope and Far Ultraviolet Spectroscopic Explorer to measure, or place limits on, the column densities of S I, S II, S III, S IV, Smore » VI, and H I. These clusters also house millisecond pulsars, whose dispersion measures give an electron column density from which we infer the H II column in these directions. We find fractions of S{sup +2} in the WIM for the M 3 and M 5 sight lines x(S{sup +2}) {identical_to} N(S{sup +2})/N(S) = 0.33 {+-} 0.07 and 0.47 {+-} 0.09, respectively, with variations perhaps related to location. With negligible quantities of the higher ionization states, we conclude that S{sup +} and S{sup +2} account for all of the S in the WIM. We extend the methodology to study the ion fractions in the warm and hot ionized gas of the Milky Way, including the high ions Si{sup +3}, C{sup +3}, N{sup +4}, and O{sup +5}. The vast majority of the Galactic ionized gas is warm (T {approx} 10{sup 4} K) and photoionized (the WIM) or very hot (T > 4 Multiplication-Sign 10{sup 5} K) and collisionally ionized. The common tracer of ionized gas beyond the Milky Way, O{sup +5}, traces <1% of the total ionized gas mass of the Milky Way.« less

Miniature Bipolar Electrostatic Ion Thruster

NASA Technical Reports Server (NTRS)

Hartley, Frank T.

2006-01-01

The figure presents a concept of a bipolar miniature electrostatic ion thruster for maneuvering a small spacecraft. The ionization device in the proposed thruster would be a 0.1-micron-thick dielectric membrane with metal electrodes on both sides. Small conical holes would be micromachined through the membrane and electrodes. An electric potential of the order of a volt applied between the membrane electrodes would give rise to an electric field of the order of several mega-volts per meter in the submicron gap between the electrodes. An electric field of this magnitude would be sufficient to ionize all the molecules that enter the holes. In a thruster-based on this concept, one or more propellant gases would be introduced into such a membrane ionizer. Unlike in larger prior ion thrusters, all of the propellant molecules would be ionized. This thruster would be capable of bipolar operation. There would be two accelerator grids - one located forward and one located aft of the membrane ionizer. In one mode of operation, which one could denote the forward mode, positive ions leaving the ionizer on the backside would be accelerated to high momentum by an electric field between the ionizer and an accelerator grid. Electrons leaving the ionizer on the front side would be ejected into free space by a smaller accelerating field. The equality of the ion and electron currents would eliminate the need for an additional electron- or ion-emitting device to keep the spacecraft charge-neutral. In another mode of operation, which could denote the reverse mode, the polarities of the voltages applied to the accelerator grids and to the electrodes of the membrane ionizer would be the reverse of those of the forward mode. The reversal of electric fields would cause the ion and electrons to be ejected in the reverse of their forward mode directions, thereby giving rise to thrust in the direction opposite that of the forward mode.

Comparison of direct and alternating current vacuum ultraviolet lamps in atmospheric pressure photoionization.

PubMed

Vaikkinen, Anu; Haapala, Markus; Kersten, Hendrik; Benter, Thorsten; Kostiainen, Risto; Kauppila, Tiina J

2012-02-07

A direct current induced vacuum ultraviolet (dc-VUV) krypton discharge lamp and an alternating current, radio frequency (rf) induced VUV lamp that are essentially similar to lamps in commercial atmospheric pressure photoionization (APPI) ion sources were compared. The emission distributions along the diameter of the lamp exit window were measured, and they showed that the beam of the rf lamp is much wider than that of the dc lamp. Thus, the rf lamp has larger efficient ionization area, and it also emits more photons than the dc lamp. The ionization efficiencies of the lamps were compared using identical spray geometries with both lamps in microchip APPI mass spectrometry (μAPPI-MS) and desorption atmospheric pressure photoionization-mass spectrometry (DAPPI-MS). A comprehensive view on the ionization was gained by studying six different μAPPI solvent compositions, five DAPPI spray solvents, and completely solvent-free DAPPI. The observed reactant ions for each solvent composition were very similar with both lamps except for toluene, which showed a higher amount of solvent originating oxidation products with the rf lamp than with the dc lamp in μAPPI. Moreover, the same analyte ions were detected with both lamps, and thus, the ionization mechanisms with both lamps are similar. The rf lamp showed a higher ionization efficiency than the dc lamp in all experiments. The difference between the lamp ionization efficiencies was greatest when high ionization energy (IE) solvent compositions (IEs above 10 eV), i.e., hexane, methanol, and methanol/water, (1:1 v:v) were used. The higher ionization efficiency of the rf lamp is likely due to the larger area of high intensity light emission, and the resulting larger efficient ionization area and higher amount of photons emitted. These result in higher solvent reactant ion production, which in turn enables more efficient analyte ion production. © 2012 American Chemical Society

Evaluation of low-dose irradiation on microbiological quality of white carrots and string beans

NASA Astrophysics Data System (ADS)

Koike, Amanda C. R.; Santillo, Amanda G.; Rodrigues, Flávio T.; Duarte, Renato C.; Villavicencio, Anna Lucia C. H.

2012-08-01

The minimally processed food provided the consumer with a product quality, safety and practicality. However, minimal processing of food does not reduce pathogenic population of microorganisms to safe levels. Ionizing radiation used in low doses is effective to maintain the quality of food, reducing the microbiological load but rather compromising the nutritional values and sensory property. The association of minimal processing with irradiation could improve the quality and safety of product. The purpose of this study was to evaluate the effectiveness of low-doses of ionizing radiation on the reduction of microorganisms in minimally processed foods. The results show that the ionizing radiation of minimally processed vegetables could decontaminate them without several changes in its properties.

A Versatile Integrated Ambient Ionization Source Platform.

PubMed

Ai, Wanpeng; Nie, Honggang; Song, Shiyao; Liu, Xiaoyun; Bai, Yu; Liu, Huwei

2018-04-30

The pursuit of high-throughput sample analysis from complex matrix demands development of multiple ionization techniques with complementary specialties. A versatile integrated ambient ionization source (iAmIS) platform is proposed in this work, based on the idea of integrating multiple functions, enhancing the efficiency of current ionization techniques, extending the applications, and decreasing the cost of the instrument. The design of the iAmIS platform combines flowing atmospheric pressure afterglow (FAPA) source/direct analysis in real time (DART), dielectric barrier discharge ionization (DBDI)/low-temperature plasma (LTP), desorption electrospray ionization (DESI), and laser desorption (LD) technique. All individual and combined ionization modes can be easily attained by modulating parameters. In particular, the FAPA/DART&DESI mode can realize the detection of polar and nonpolar compounds at the same time with two different ionization mechanisms: proton transfer and charge transfer. The introduction of LD contributes to the mass spectrometry imaging and the surface-assisted laser desorption (SALDI) under ambient condition. Compared with other individual or multi-mode ion source, the iAmIS platform provides the flexibility of choosing different ionization modes, broadens the scope of the analyte detection, and facilitates the analysis of complex samples. Graphical abstract ᅟ.

A Versatile Integrated Ambient Ionization Source Platform

NASA Astrophysics Data System (ADS)

Ai, Wanpeng; Nie, Honggang; Song, Shiyao; Liu, Xiaoyun; Bai, Yu; Liu, Huwei

2018-04-01

The pursuit of high-throughput sample analysis from complex matrix demands development of multiple ionization techniques with complementary specialties. A versatile integrated ambient ionization source (iAmIS) platform is proposed in this work, based on the idea of integrating multiple functions, enhancing the efficiency of current ionization techniques, extending the applications, and decreasing the cost of the instrument. The design of the iAmIS platform combines flowing atmospheric pressure afterglow (FAPA) source/direct analysis in real time (DART), dielectric barrier discharge ionization (DBDI)/low-temperature plasma (LTP), desorption electrospray ionization (DESI), and laser desorption (LD) technique. All individual and combined ionization modes can be easily attained by modulating parameters. In particular, the FAPA/DART&DESI mode can realize the detection of polar and nonpolar compounds at the same time with two different ionization mechanisms: proton transfer and charge transfer. The introduction of LD contributes to the mass spectrometry imaging and the surface-assisted laser desorption (SALDI) under ambient condition. Compared with other individual or multi-mode ion source, the iAmIS platform provides the flexibility of choosing different ionization modes, broadens the scope of the analyte detection, and facilitates the analysis of complex samples. [Figure not available: see fulltext.

Adenine radicals generated in alternating AT duplexes by direct absorption of low-energy UV radiation.

PubMed

Banyasz, Akos; Ketola, Tiia; Martínez-Fernández, Lara; Improta, Roberto; Markovitsi, Dimitra

2018-04-17

There is increasing evidence that the direct absorption of photons with energies that are lower than the ionization potential of nucleobases may result in oxidative damage to DNA. The present work, which combines nanosecond transient absorption spectroscopy and quantum mechanical calculations, studies this process in alternating adenine-thymine duplexes (AT)n. We show that the one-photon ionization quantum yield of (AT)10 at 266 nm (4.66 eV) is (1.5 ± 0.3) × 10-3. According to our PCM/TD-DFT calculations carried out on model duplexes composed of two base pairs, (AT)1 and (TA)1, simultaneous base pairing and stacking does not induce important changes in the absorption spectra of the adenine radical cation and deprotonated radical. The adenine radicals, thus identified in the time-resolved spectra, disappear with a lifetime of 2.5 ms, giving rise to a reaction product that absorbs at 350 nm. In parallel, the fingerprint of reaction intermediates other than radicals, formed directly from singlet excited states and assigned to AT/TA dimers, is detected at shorter wavelengths. PCM/TD-DFT calculations are carried out to map the pathways leading to such species and to characterize their absorption spectra; we find that, in addition to the path leading to the well-known TA* photoproduct, an AT photo-dimerization path may be operative in duplexes.

Dereplicating and spatial mapping of secondary metabolites from fungal cultures in situ

DOE PAGES

Kertesz, Vilmos; Van Berkel, Gary J.; Sica, Vincent P.; ...

2015-07-30

Ambient ionization techniques coupled to mass spectrometry have recently become prevalent in natural product research due to their ability to examine secondary metabolites in situ. Identifying, mapping, and monitoring secondary metabolites directly on an organism provides invaluable spatial and temporal details that are lost through traditional extraction processes. Most ambient ionization techniques do not collect mutually supportive data, such as chromatographic retention times and/or UV/VIS spectra, and this can limit the ability to identify certain metabolites, such as differentiating isomers. To overcome this, the droplet liquid microjunction surface sampling probe (droplet LMJ SSP) was coupled with UPLC PDA HRMS MS/MS,more » thus providing separation, retention times, and UV/VIS data used in traditional dereplication protocols. By capturing these mutually supportive data, the identity of secondary metabolites could be confidently and rapidly assigned in situ. Using the droplet LMJ SSP, a protocol was constructed to analyze the secondary metabolite profile of fungal cultures directly without any sample preparation. The results demonstrate that fungal cultures can be dereplicated from the Petri dish, thus identifying secondary metabolites, including isomers, and confirming them against reference standards. As a result, heat maps, similar to mass spectrometry imaging, can be used to ascertain the location and relative concentration of secondary metabolites directly on the surface and/or surroundings of a fungal culture.« less

Early stages of styrene-isoprene copolymerization in gas phase clusters probed by resonance enhanced multiphoton ionization.

PubMed

Mahmoud, Hatem; Germanenko, Igor N; El-Shall, M Samy

2006-04-06

We present direct evidence for the formation of the covalent bonded styrene (isoprene)(2) oligomer and the isoprene dimer ions following resonance ionization of the gas phase styrene-isoprene binary clusters. The application of resonance ionization to study polymerization reactions in clusters provides new information on the structure and mechanism of formation of the early stages of polymerization and holds considerable promise for the discovery of new initiation mechanisms and for the development of novel materials with unique properties.

Atomic Data for Nebular Abundance Determinations: Photoionization and Recombination Properties of Xenon Ions

NASA Astrophysics Data System (ADS)

Sterling, Nicholas C.; Kerlin, Austin B.

2016-01-01

We present preliminary results of a study of the photoionization (PI) and recombination properties of low-charge Xe ions. The abundances of neutron(n)-capture elements (atomic number Z > 30) are of interest in planetary nebulae (PNe) since they can be enriched by slow n-capture nucleosynthesis (the ``s-process'') in the progenitor asymptotic giant branch (AGB) stars. Xe is particularly valuable, because it is the most widely-observed ``heavy-s'' species (Z > 40) in PNe. Its abundance relative to lighter n-capture elements can be used to determine s-process neutron exposures, and constrain s-process enrichment patterns as a function of progenitor metallicity. Using the atomic structure code AUTOSTRUCTURE (Badnell 2011, Comp. Phys. Comm., 182, 1528), we have computed multi-configuration Breit-Pauli distorted-wave PI cross sections and radiative recombination (RR) and dielectronic recombination (DR) rate coefficients for neutral through six-times ionized Xe, data which are critically needed for accurate Xe abundance determinations in ionized nebulae. We find good agreement between our computed direct PI cross sections and experimental measurements. Internal uncertainties are estimated for our calculations by using three different configuration interaction expansions for each ion, and by testing the sensitivity of our results to the radial orbital scaling parameters. As found for other n-capture elements (Sterling & Witthoeft 2011, A&A, 529, A147; Sterling 2011, A&A, 533, A62), DR is the dominant recombination mechanism for Xe ions at nebular temperatures (~104 K). Following Sterling et al. (2015, ApJS, 218, 25), these data will be added to nebular modeling codes to compute ionization correction factors for unobserved Xe ions in PNe, which will enable elemental Xe abundances to be determined with much higher accuracy than is currently possible. This work is supported by NSF award AST-1412928.

Energy Balance for a Sonoluminescence Bubble Yields a Measure of Ionization Potential Lowering

NASA Astrophysics Data System (ADS)

Kappus, B.; Bataller, A.; Putterman, S. J.

2013-12-01

Application of energy conservation between input sound and the microplasma which forms at the moment of sonoluminescence places bounds on the process, whereby the gas is ionized. Detailed pulsed Mie scattering measurements of the radius versus time for a xenon bubble in sulfuric acid provide a complete characterization of the hydrodynamics and minimum radius. For a range of emission intensities, the blackbody spectrum emitted during collapse matches the minimum bubble radius, implying opaque conditions are attained. This requires a degree of ionization >36%. Analysis reveals only 2.1±0.6eV/atom of energy available during light emission. In order to unbind enough charge, collective processes must therefore reduce the ionization potential by at least 75%. We interpret this as evidence that a phase transition to a highly ionized plasma is occurring during sonoluminescence.

Energy balance for a sonoluminescence bubble yields a measure of ionization potential lowering.

PubMed

Kappus, B; Bataller, A; Putterman, S J

2013-12-06

Application of energy conservation between input sound and the microplasma which forms at the moment of sonoluminescence places bounds on the process, whereby the gas is ionized. Detailed pulsed Mie scattering measurements of the radius versus time for a xenon bubble in sulfuric acid provide a complete characterization of the hydrodynamics and minimum radius. For a range of emission intensities, the blackbody spectrum emitted during collapse matches the minimum bubble radius, implying opaque conditions are attained. This requires a degree of ionization >36%. Analysis reveals only 2.1±0.6  eV/atom of energy available during light emission. In order to unbind enough charge, collective processes must therefore reduce the ionization potential by at least 75%. We interpret this as evidence that a phase transition to a highly ionized plasma is occurring during sonoluminescence.

Density-Functional Theory with Optimized Effective Potential and Self-Interaction Correction for the Double Ionization of He and Be Atoms

NASA Astrophysics Data System (ADS)

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

2012-06-01

We present a self-interaction-free (SIC) time-dependent density-functional theory (TDDFT) for the treatment of double ionization processes of many-electron systems. The method is based on the Krieger-Li-Iafrate (KLI) treatment of the optimized effective potential (OEP) theory and the incorporation of an explicit self-interaction correction (SIC) term. In the framework of the time-dependent density functional theory, we have performed 3D calculations of double ionization of He and Be atoms by strong near-infrared laser fields. We make use of the exchange-correlation potential with the integer discontinuity which improves the description of the double ionization process. We found that proper description of the double ionization requires the TDDFT exchange-correlation potential with the discontinuity with respect to the variation of the spin particle numbers (SPN) only. The results for the intensity-dependent probabilities of single and double ionization are presented and reproduce the famous ``knee'' structure.

Giant plasmon excitation in single and double ionization of C60 by fast highly charged Si and O ions

NASA Astrophysics Data System (ADS)

Kelkar, A. H.; Kadhane, U.; Misra, D.; Tribedi, L. C.

2007-09-01

Se have investigated single and double ionization of C60 molecule in collisions with 2.33 MeV/u Siq+ (q=6-14) and 3.125 MeV/u Oq+ (q=5-8) projectiles. The projectile charge state dependence of the single and double ionization yields of C60 are then compared to those for an ion-atom collision system using Ne gas as a target. A large difference between the gas and the cluster target behaviour was partially explained in terms of a model based on collective excitation namely the giant dipole plasmon resonance (GDPR). The qualitative agreement between the data and GDPR model prediction for single and double ionization signifies the importance of single and double plasmon excitations in the ionization process. A large deviation of the GDPR model for triple and quadruple ionization from the experimental data imply the importance of the other low impact parameter processes such as evaporation, fragmentation and a possible solid-like dynamical screening.

Weakly ionized cosmic gas: Ionization and characterization

NASA Technical Reports Server (NTRS)

Rosenberg, M.; Mendis, D. A.; Chow, V. W.

1994-01-01

Since collective plasma behavior may determine important transport processes (e.g., plasma diffusion across a magnetic field) in certain cosmic environments, it is important to delineate the parameter space in which weakly ionized cosmic gases may be characterized as plasmas. In this short note, we do so. First, we use values for the ionization fraction given in the literature, wherein the ionization is generally assumed to be due primarily to ionization by cosmic rays. We also discuss an additional mechanism for ionization in such environments, namely, the photoelectric emission of electrons from cosmic dust grains in an interstellar Far Ultra Violet (FUV) radiation field. Simple estimates suggest that under certain conditions this mechanism may dominate cosmic ray ionization, and possibly also the photoionization of metal atoms by the interstellar FUV field, and thereby lead to an enhanced ionization level.

Removal of nonylphenol from industrial sludge by using an electron beam

NASA Astrophysics Data System (ADS)

Choi, Jang-Seung; Park, Jun-Hyun; Kim, Yuri; Kim, JinKyu; Jung, SeungTae; Han, Bumsoo; Alkhuraiji, Turki S.

2016-09-01

Endocrine disrupting chemicals (EDCs) and potential EDCs are mostly man-made, found in various materials such as pesticides, additives or contaminants in food, and personal care products. EDCs have been suspected to be associated with altered reproductive function in males and females increased incidence of breast cancer, abnormal growth patterns and neuro-developmental delays in children and changes in immune function. A number of processes were investigated regarding their potential for removing of endocrine disrupters. Those processes are ferric chloride coagulation, powdered activated carbon, magnetic ion exchange combined with microfiltration or ultrafiltration, as well as nanofiltration, and reverse osmosis. They show some good removal of EDCs in aqueous solution, but do not show good efficiency when EDCs are in sludge. High energy ionizing radiation has the ability to remove the EDCs with a very high degree of reliability and in a clean and efficient manner. The ionizing radiation interacts with EDCs both directly and indirectly. Direct interaction takes place with EDCs, and the structure of EDCs is destroyed or changed. During indirect interaction, radiolysis products of water result in the formation of highly reactive intermediates which then react with the target molecules, culminating in structural changes. For confirmation of radiation reduction of EDCs in industrial sludge, a pilot scale experiment up to 50 kGy of electron beam was conducted with samples from the textile dyeing industries. The experimental result showed over a 90% reduction of nonylphenol (NP) at absorbed doses of around 10 kGy.

Direct X-ray photoconversion in flexible organic thin film devices operated below 1 V

PubMed Central

Basiricò, Laura; Ciavatti, Andrea; Cramer, Tobias; Cosseddu, Piero; Bonfiglio, Annalisa; Fraboni, Beatrice

2016-01-01

The application of organic electronic materials for the detection of ionizing radiations is very appealing thanks to their mechanical flexibility, low-cost and simple processing in comparison to their inorganic counterpart. In this work we investigate the direct X-ray photoconversion process in organic thin film photoconductors. The devices are realized by drop casting solution-processed bis-(triisopropylsilylethynyl)pentacene (TIPS-pentacene) onto flexible plastic substrates patterned with metal electrodes; they exhibit a strong sensitivity to X-rays despite the low X-ray photon absorption typical of low-Z organic materials. We propose a model, based on the accumulation of photogenerated charges and photoconductive gain, able to describe the magnitude as well as the dynamics of the X-ray-induced photocurrent. This finding allows us to fabricate and test a flexible 2 × 2 pixelated X-ray detector operating at 0.2 V, with gain and sensitivity up to 4.7 × 104 and 77,000 nC mGy−1 cm−3, respectively. PMID:27708274

Atomic vapor laser isotope separation of lead-210 isotope

DOEpatents

Scheibner, K.F.; Haynam, C.A.; Johnson, M.A.; Worden, E.F.

1999-08-31

An isotopically selective laser process and apparatus for removal of Pb-210 from natural lead that involves a one-photon near-resonant, two-photon resonant excitation of one or more Rydberg levels, followed by field ionization and then electrostatic extraction. The wavelength to the near-resonant intermediate state is counter propagated with respect to the second wavelength required to populate the final Rydberg state. This scheme takes advantage of the large first excited state cross section, and only modest laser fluences are required. The non-resonant process helps to avoid two problems: first, stimulated Raman Gain due to the nearby F=3/2 hyperfine component of Pb-207 and, second, direct absorption of the first transition process light by Pb-207. 5 figs.

Atomic vapor laser isotope separation of lead-210 isotope

DOEpatents

Scheibner, Karl F.; Haynam, Christopher A.; Johnson, Michael A.; Worden, Earl F.

1999-01-01

An isotopically selective laser process and apparatus for removal of Pb-210 from natural lead that involves a one-photon near-resonant, two-photon resonant excitation of one or more Rydberg levels, followed by field ionization and then electrostatic extraction. The wavelength to the near-resonant intermediate state is counter propagated with respect to the second wavelength required to populate the final Rydberg state. This scheme takes advantage of the large first excited state cross section, and only modest laser fluences are required. The non-resonant process helps to avoid two problems: first, stimulated Raman Gain due to the nearby F=3/2 hyperfine component of Pb-207 and, second, direct absorption of the first transition process light by Pb-207.

Insights into Aqueous-phase processing through Comparison of the Organic Chemical Composition of Atmospheric Particles and Cloud Water in the Southeast United States

NASA Astrophysics Data System (ADS)

Boone, E.; Laskin, J.; Laskin, A.; Wirth, C.; Shepson, P. B.; Stirm, B. H.; Pratt, K.

2014-12-01

Organic compounds comprise a significant mass fraction of submicron atmospheric particles with considerable contribution from secondary organic aerosol (SOA), a large fraction of which is formed from the oxidation of biogenic volatile organic compounds. Aqueous-phase reactions in particles and cloud droplets are suggested to increase SOA mass and change the chemical composition the particles following cloud evaporation. Aqueous-phase processing may also explain discrepancies between measurements and models. To gain a better understanding of these processes, cloud water and below-cloud atmospheric particles were collected onboard a research aircraft during the Southeast Oxidants and Aerosol Study (SOAS) over Alabama in June 2013. Nanospray desorption electrospray ionization (nano-DESI) and direct electrospray ionization (ESI) coupled with high resolution mass spectrometry were utilized to compare the organic molecular composition of the particle and cloud water samples, respectively. Several hundred unique compounds have been identified in the particle and cloud water samples, allowing possible aqueous-phase reactions to be examined. Hydrolysis of organosulfate compounds, aqueous-phase formation of nitrogen-containing compounds, and possible fragmentation of oligomeric compounds will be discussed, with comparisons to previous laboratory studies. This study provides insights into aqueous-phase reactions in ambient cloud droplets.

Adaptation of the Black Yeast Wangiella dermatitidis to Ionizing Radiation: Molecular and Cellular Mechanisms

PubMed Central

Robertson, Kelly L.; Mostaghim, Anahita; Cuomo, Christina A.; Soto, Carissa M.; Lebedev, Nikolai; Bailey, Robert F.; Wang, Zheng

2012-01-01

Observations of enhanced growth of melanized fungi under low-dose ionizing radiation in the laboratory and in the damaged Chernobyl nuclear reactor suggest they have adapted the ability to survive or even benefit from exposure to ionizing radiation. However, the cellular and molecular mechanism of fungal responses to such radiation remains poorly understood. Using the black yeast Wangiella dermatitidis as a model, we confirmed that ionizing radiation enhanced cell growth by increasing cell division and cell size. Using RNA-seq technology, we compared the transcriptomic profiles of the wild type and the melanin-deficient wdpks1 mutant under irradiation and non-irradiation conditions. It was found that more than 3000 genes were differentially expressed when these two strains were constantly exposed to a low dose of ionizing radiation and that half were regulated at least two fold in either direction. Functional analysis indicated that many genes for amino acid and carbohydrate metabolism and cell cycle progression were down-regulated and that a number of antioxidant genes and genes affecting membrane fluidity were up-regulated in both irradiated strains. However, the expression of ribosomal biogenesis genes was significantly up-regulated in the irradiated wild-type strain but not in the irradiated wdpks1 mutant, implying that melanin might help to contribute radiation energy for protein translation. Furthermore, we demonstrated that long-term exposure to low doses of radiation significantly increased survivability of both the wild-type and the wdpks1 mutant, which was correlated with reduced levels of reactive oxygen species (ROS), increased production of carotenoid and induced expression of genes encoding translesion DNA synthesis. Our results represent the first functional genomic study of how melanized fungal cells respond to low dose ionizing radiation and provide clues for the identification of biological processes, molecular pathways and individual genes regulated by radiation. PMID:23139812

Are the argon metastables important in high power impulse magnetron sputtering discharges?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gudmundsson, J. T., E-mail: tumi@hi.is; Science Institute, University of Iceland, Dunhaga 3, IS-107 Reykjavik; Lundin, D.

2015-11-15

We use an ionization region model to explore the ionization processes in the high power impulse magnetron sputtering (HiPIMS) discharge in argon with a titanium target. In conventional dc magnetron sputtering (dcMS), stepwise ionization can be an important route for ionization of the argon gas. However, in the HiPIMS discharge stepwise ionization is found to be negligible during the breakdown phase of the HiPIMS pulse and becomes significant (but never dominating) only later in the pulse. For the sputtered species, Penning ionization can be a significant ionization mechanism in the dcMS discharges, while in the HiPIMS discharge Penning ionization ismore » always negligible as compared to electron impact ionization. The main reasons for these differences are a higher plasma density in the HiPIMS discharge, and a higher electron temperature. Furthermore, we explore the ionization fraction and the ionized flux fraction of the sputtered vapor and compare with recent experimental work.« less

Rapid identification of regulated organic chemical compounds in toys using ambient ionization and a miniature mass spectrometry system.

PubMed

Guo, Xiangyu; Bai, Hua; Lv, Yueguang; Xi, Guangcheng; Li, Junfang; Ma, Xiaoxiao; Ren, Yue; Ouyang, Zheng; Ma, Qiang

2018-04-01

Rapid, on-site analysis was achieved through significantly simplified operation procedures for a wide variety of toy samples (crayon, temporary tattoo sticker, finger paint, modeling clay, and bubble solution) using a miniature mass spectrometry system with ambient ionization capability. The labor-intensive analytical protocols involving sample workup and chemical separation, traditionally required for MS-based analysis, were replaced by direct sampling analysis using ambient ionization methods. A Mini β ion trap miniature mass spectrometer was coupled with versatile ambient ionization methods, e.g. paper spray, extraction spray and slug-flow microextraction nanoESI for direct identification of prohibited colorants, carcinogenic primary aromatic amines, allergenic fragrances, preservatives and plasticizers from raw toy samples. The use of paper substrates coated with Co 3 O 4 nanoparticles allowed a great increase in sensitivity for paper spray. Limits of detection as low as 5μgkg -1 were obtained for target analytes. The methods being developed based on the integration of ambient ionization with miniature mass spectrometer represent alternatives to current in-lab MS analysis operation, and would enable fast, outside-the-lab screening of toy products to ensure children's safety and health. Copyright © 2017 Elsevier B.V. All rights reserved.

HF Propagation Effects Caused by an Artificial Plasma Cloud in the Ionosphere

NASA Astrophysics Data System (ADS)

Joshi, D. R.; Groves, K. M.; McNeil, W. J.; Caton, R. G.; Parris, R. T.; Pedersen, T. R.; Cannon, P. S.; Angling, M. J.; Jackson-Booth, N. K.

2014-12-01

In a campaign carried out by the NASA sounding rocket team, the Air Force Research Laboratory (AFRL) launched two sounding rockets in the Kwajalein Atoll, Marshall Islands, in May 2013 known as the Metal Oxide Space Cloud (MOSC) experiment to study the interactions of artificial ionization and the background plasma and measure the effects on high frequency (HF) radio wave propagation. The rockets released samarium metal vapor in the lower F-region of the ionosphere that ionized forming a plasma cloud that persisted for tens of minutes to hours in the post-sunset period. Data from the experiments has been analyzed to understand the impacts of the artificial ionization on HF radio wave propagation. Swept frequency HF links transiting the artificial ionization region were employed to produce oblique ionograms that clearly showed the effects of the samarium cloud. Ray tracing has been used to successfully model the effects of the ionized cloud. Comparisons between observations and modeled results will be presented, including model output using the International Reference Ionosphere (IRI), the Parameterized Ionospheric Model (PIM) and PIM constrained by electron density profiles measured with the ALTAIR radar at Kwajalein. Observations and modeling confirm that the cloud acted as a divergent lens refracting energy away from direct propagation paths and scattering energy at large angles relative to the initial propagation direction. The results confirm that even small amounts of ionized material injected in the upper atmosphere can result in significant changes to the natural propagation environment.

Ionization of Interstellar Hydrogen

NASA Astrophysics Data System (ADS)

Whang, Y. C.

1996-09-01

Interstellar hydrogen can penetrate through the heliopause, enter the heliosphere, and may become ionized by photoionization and by charge exchange with solar wind protons. A fluid model is introduced to study the flow of interstellar hydrogen in the heliosphere. The flow is governed by moment equations obtained from integration of the Boltzmann equation over the velocity space. Under the assumption that the flow is steady axisymmetric and the pressure is isotropic, we develop a method of solution for this fluid model. This model and the method of solution can be used to study the flow of neutral hydrogen with various forms of ionization rate β and boundary conditions for the flow on the upwind side. We study the solution of a special case in which the ionization rate β is inversely proportional to R2 and the interstellar hydrogen flow is uniform at infinity on the upwind side. We solve the moment equations directly for the normalized density NH/NN∞, bulk velocity VH/VN∞, and temperature TH/TN∞ of interstellar hydrogen as functions of r/λ and z/λ, where λ is the ionization scale length. The solution is compared with the kinetic theory solution of Lallement et al. The fluid solution is much less time-consuming than the kinetic theory solutions. Since the ionization rate for production of pickup protons is directly proportional to the local density of neutral hydrogen, the high-resolution solution of interstellar neutral hydrogen obtained here will be used to study the global distribution of pickup protons.

Monte Carlo event generators in atomic collisions: A new tool to tackle the few-body dynamics

NASA Astrophysics Data System (ADS)

Ciappina, M. F.; Kirchner, T.; Schulz, M.

2010-04-01

We present a set of routines to produce theoretical event files, for both single and double ionization of atoms by ion impact, based on a Monte Carlo event generator (MCEG) scheme. Such event files are the theoretical counterpart of the data obtained from a kinematically complete experiment; i.e. they contain the momentum components of all collision fragments for a large number of ionization events. Among the advantages of working with theoretical event files is the possibility to incorporate the conditions present in a real experiment, such as the uncertainties in the measured quantities. Additionally, by manipulating them it is possible to generate any type of cross sections, specially those that are usually too complicated to compute with conventional methods due to a lack of symmetry. Consequently, the numerical effort of such calculations is dramatically reduced. We show examples for both single and double ionization, with special emphasis on a new data analysis tool, called four-body Dalitz plots, developed very recently. Program summaryProgram title: MCEG Catalogue identifier: AEFV_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFV_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 2695 No. of bytes in distributed program, including test data, etc.: 18 501 Distribution format: tar.gz Programming language: FORTRAN 77 with parallelization directives using scripting Computer: Single machines using Linux and Linux servers/clusters (with cores with any clock speed, cache memory and bits in a word) Operating system: Linux (any version and flavor) and FORTRAN 77 compilers Has the code been vectorised or parallelized?: Yes RAM: 64-128 kBytes (the codes are very cpu intensive) Classification: 2.6 Nature of problem: The code deals with single and double ionization of atoms by ion impact. Conventional theoretical approaches aim at a direct calculation of the corresponding cross sections. This has the important shortcoming that it is difficult to account for the experimental conditions when comparing results to measured data. In contrast, the present code generates theoretical event files of the same type as are obtained in a real experiment. From these event files any type of cross sections can be easily extracted. The theoretical schemes are based on distorted wave formalisms for both processes of interest. Solution method: The codes employ a Monte Carlo Event Generator based on theoretical formalisms to generate event files for both single and double ionization. One of the main advantages of having access to theoretical event files is the possibility of adding the conditions present in real experiments (parameter uncertainties, environmental conditions, etc.) and to incorporate additional physics in the resulting event files (e.g. elastic scattering or other interactions absent in the underlying calculations). Additional comments: The computational time can be dramatically reduced if a large number of processors is used. Since the codes has no communication between processes it is possible to achieve an efficiency of a 100% (this number certainly will be penalized by the queuing waiting time). Running time: Times vary according to the process, single or double ionization, to be simulated, the number of processors and the type of theoretical model. The typical running time is between several hours and up to a few weeks.

An in-house assay is superior to Sepsityper for direct matrix-assisted laser desorption ionization-time of flight (MALDI-TOF) mass spectrometry identification of yeast species in blood cultures.

PubMed

Bidart, Marie; Bonnet, Isabelle; Hennebique, Aurélie; Kherraf, Zine Eddine; Pelloux, Hervé; Berger, François; Cornet, Muriel; Bailly, Sébastien; Maubon, Danièle

2015-05-01

We developed an in-house assay for the direct identification, by matrix-assisted laser desorption ionization-time of flight (MALDI-TOF) mass spectrometry, of yeasts in blood culture. Sixty-one representative strains from 12 species were analyzed in spiked blood cultures. Our assay accurately identified 95 of 107 (88.8%) positive blood cultures and outperformed the commercial Sepsityper kit (81.7% identification). Copyright © 2015, American Society for Microbiology. All Rights Reserved.

A direct measurement of the charge states of energetic iron emitted by the sun

NASA Technical Reports Server (NTRS)

Gloeckler, G.; Sciambi, R. K.; Fan, C. Y.; Hovestadt, D.

1976-01-01

The charge states of energetic iron have been measured directly for the first time in a solar particle event. In the energy interval 0.01 to 0.25 MeV per nucleon, iron is not fully stripped but has a mean ionization state of 11.6. This value is remarkably similar to the mean ionization state of iron in the quiet solar wind and suggests that the charge states were "frozen-in" at a coronal temperature of approximately 1,500,000 K.

Microorganisms direct identification from blood culture by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry.

PubMed

Ferreira, L; Sánchez-Juanes, F; Porras-Guerra, I; García-García, M I; García-Sánchez, J E; González-Buitrago, J M; Muñoz-Bellido, J L

2011-04-01

Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) allows a fast and reliable bacterial identification from culture plates. Direct analysis of clinical samples may increase its usefulness in samples in which a fast identification of microorganisms can guide empirical treatment, such as blood cultures (BC). Three hundred and thirty BC, reported as positive by the automated BC incubation device, were processed by conventional methods for BC processing, and by a fast method based on direct MALDI-TOF MS. Three hundred and eighteen of them yield growth on culture plates, and 12 were false positive. The MALDI-TOF MS-based method reported that no peaks were found, or the absence of a reliable identification profile, in all these false positive BC. No mixed cultures were found. Among these 318 BC, we isolated 61 Gram-negatives (GN), 239 Gram-positives (GP) and 18 fungi. Microorganism identifications in GN were coincident with conventional identification, at the species level, in 83.3% of BC and, at the genus level, in 96.6%. In GP, identifications were coincident with conventional identification in 31.8% of BC at the species level, and in 64.8% at the genus level. Fungaemia was not reliably detected by MALDI-TOF. In 18 BC positive for Candida species (eight C. albicans, nine C. parapsilosis and one C. tropicalis), no microorganisms were identified at the species level, and only one (5.6%) was detected at the genus level. The results of the present study show that this fast, MALDI-TOF MS-based method allows bacterial identification directly from presumptively positive BC in a short time (<30 min), with a high accuracy, especially when GN bacteria are involved. © 2010 The Authors. Clinical Microbiology and Infection © 2010 European Society of Clinical Microbiology and Infectious Diseases.

Quantitation of aflatoxins from corn and other food related materials by direct analysis in real time - mass spectrometry (DART-MS)

USDA-ARS?s Scientific Manuscript database

Ambient ionization coupled to mass spectrometry continues to be applied to new analytical problems, facilitating the rapid and convenient analysis of a variety of analytes. Recently, demonstrations of ambient ionization mass spectrometry applied to quantitative analysis of mycotoxins have been shown...

Future directions for LDEF ionizing radiation modeling and assessments

NASA Technical Reports Server (NTRS)

Armstrong, T. W.; Colborn, B. L.

1992-01-01

Data from the ionizing radiation dosimetry aboard LDEF provide a unique opportunity for assessing the accuracy of current space radiation models and in identifying needed improvements for future mission applications. Details are given of the LDEF data available for radiation model evaluations. The status is given of model comparisons with LDEF data, along with future directions of planned modeling efforts and data comparison assessments. The methodology is outlined which is related to modeling being used to help insure that the LDEF ionizing radiation results can be used to address ionizing radiation issues for future missions. In general, the LDEF radiation modeling has emphasized quick-look predictions using simplified methods to make comparisons with absorbed dose measurements and induced radioactivity measurements of emissions. Modeling and LDEF data comparisons related to linear energy transfer spectra are of importance for several reasons which are outlined. The planned modeling and LDEF data comparisons for LET spectra is discussed, including components of the LET spectra due to different environment sources, contribution from different production mechanisms, and spectra in plastic detectors vs silicon.

Ionization dynamics of the water trimer: A direct ab initio MD study

NASA Astrophysics Data System (ADS)

Tachikawa, Hiroto; Takada, Tomoya

2013-03-01

Ionization dynamics of the cyclic water trimer (H2O)3 have been investigated by means of direct ab initio molecular dynamics (AIMD) method. Two reaction channels, complex formation and OH dissociation, were found following the ionization of (H2O)3. In both channels, first, a proton was rapidly transferred from H2O+ to H2O (time scale is ˜15 fs after the ionization). In complex channel, an ion-radical contact pair (H3O+-OH) solvated by the third water molecule was formed as a long-lived H3O+(OH)H2O complex. In OH dissociation channel, the second proton transfer further takes place from H3O+(OH) to H2O (time scale is 50-100 fs) and the OH radical is separated from the H3O+. At the same time, the OH dissociation takes place when the excess energy is efficiently transferred into the kinetic energy of OH radical. The OH dissociation channel is significantly minor, and almost all product channels were the complex formation. The reaction mechanism was discussed on the basis of theoretical results.

Plasma effect on fast-electron-impact-ionization from 2p state of hydrogen-like ions

NASA Astrophysics Data System (ADS)

Qi, Y. Y.; Ning, L. N.; Wang, J. G.; Qu, Y. Z.

2013-12-01

Plasma effects on the high-energy electron-impact ionization process from 2p orbital of Hydrogen-like ions embedded in weakly coupled plasmas are investigated in the first Born approximation. The plasma screening of the Coulomb interaction between charged particles is represented by the Debye Hückel model. The screening of Coulomb interactions decreases the ionization energies and varies the wave functions for not only the bound orbital but also the continuum; the number of the summation for the angular-momentum states in the generalized oscillator strength densities is reduced with the plasma screening stronger when the ratio of ɛ /I2p (I2p is the ionization energy of 2p state and ɛ is the energy of the continuum electron) is kept, and then the contribution from the lower-angular-momentum states dominates the generalized oscillator strength densities, so the threshold phenomenon in the generalized oscillator strength densities and the double differential cross sections are remarkable: The accessional minima, the outstanding enhancement, and the resonance peaks emerge a certain energy region, whose energy position and width are related to the vicinity between δ and the critical value δnlc, corresponding to the special plasma condition when the bound state |nl⟩ just enters the continuum; the multiple virtual-state enhancement and the multiple shape resonances in a certain energy domain also appear in the single differential cross section whenever the plasma screening parameter passes through a critical value δnlc, which is similar to the photo-ionization process but different from it, where the dipole transition only happens, but multi-pole transition will occur in the electron-impact ionization process, so its multiple virtual-state enhancements and the multiple shape resonances appear more frequently than the photo-ionization process.

Calculation of H2-He Flow with Nonequilibrium Ionization and Radiation: an Interim Report

NASA Technical Reports Server (NTRS)

Furudate, Michiko; Chang, Keun-Shik

2005-01-01

The nonequilibrium ionization process in hydrogen-helium mixture behind a strong shock wave is studied numerically using the detailed ionization rate model developed recently by Park which accounts for emission and absorption of Lyman lines. The study finds that, once the avalanche ionization is started, the Lyman line is self-absorbed. The intensity variation of the radiation at 5145 Angstroms found by Leibowitz in a shock tube experiment can be numerically reproduced by assuming that ionization behind the shock wave prior to the onset of avalanche ionization is 1.3%. Because 1.3% initial ionization is highly unlikely, Leibowitz s experimental data is deemed questionable. By varying the initial electron density value in the calculation, the calculated ionization equilibration time is shown to increase approximately as inverse square-root of the initial electron density value. The true ionization equilibration time is most likely much longer than the value found by Leibowitz.

"Trampoline" ejection of organic molecules from graphene and graphite via keV cluster ions impacts.

PubMed

Verkhoturov, Stanislav V; Gołuński, Mikołaj; Verkhoturov, Dmitriy S; Geng, Sheng; Postawa, Zbigniew; Schweikert, Emile A

2018-04-14

We present the data on ejection of molecules and emission of molecular ions caused by single impacts of 50 keV C 60 2+ on a molecular layer of deuterated phenylalanine (D8Phe) deposited on free standing, 2-layer graphene. The projectile impacts on the graphene side stimulate the abundant ejection of intact molecules and the emission of molecular ions in the transmission direction. To gain insight into the mechanism of ejection, Molecular Dynamic simulations were performed. It was found that the projectile penetrates the thin layer of graphene, partially depositing the projectile's kinetic energy, and molecules are ejected from the hot area around the hole that is made by the projectile. The yield, Y, of negative ions of deprotonated phenylalanine, (D8Phe-H) - , emitted in the transmission direction is 0.1 ions per projectile impact. To characterize the ejection and ionization of molecules, we have performed the experiments on emission of (D8Phe-H) - from the surface of bulk D8Phe (Y = 0.13) and from the single molecular layer of D8Phe deposited on bulk pyrolytic graphite (Y = 0.15). We show that, despite the similar yields of molecular ions, the scenario of the energy deposition and ejection of molecules is different for the case of graphene due to the confined volume of projectile-analyte interaction. The projectile impact on the graphene-D8Phe sample stimulates the collective radial movement of analyte atoms, which compresses the D8Phe layer radially from the hole. At the same time, this compression bends and stretches the graphene membrane around the hole thus accumulating potential energy. The accumulated potential energy is transformed into the kinetic energy of correlated movement upward for membrane atoms, thus the membrane acts as a trampoline for the molecules. The ejected molecules are effectively ionized; the ionization probability is ∼30× higher compared to that obtained for the bulk D8Phe target. The proposed mechanism of ionization involves tunneling of electrons from the vibrationally excited area around the hole to the molecules. Another proposed mechanism is a direct proton transfer exchange, which is suitable for a bulk target: ions of molecular fragments (i.e., CN - ) generated in the impact area interact with intact molecules from the rim of this area. There is a direct proton exchange process for the system D8Phe molecule + CN - .

"Trampoline" ejection of organic molecules from graphene and graphite via keV cluster ions impacts

NASA Astrophysics Data System (ADS)

Verkhoturov, Stanislav V.; Gołuński, Mikołaj; Verkhoturov, Dmitriy S.; Geng, Sheng; Postawa, Zbigniew; Schweikert, Emile A.

2018-04-01

We present the data on ejection of molecules and emission of molecular ions caused by single impacts of 50 keV C602+ on a molecular layer of deuterated phenylalanine (D8Phe) deposited on free standing, 2-layer graphene. The projectile impacts on the graphene side stimulate the abundant ejection of intact molecules and the emission of molecular ions in the transmission direction. To gain insight into the mechanism of ejection, Molecular Dynamic simulations were performed. It was found that the projectile penetrates the thin layer of graphene, partially depositing the projectile's kinetic energy, and molecules are ejected from the hot area around the hole that is made by the projectile. The yield, Y, of negative ions of deprotonated phenylalanine, (D8Phe-H)-, emitted in the transmission direction is 0.1 ions per projectile impact. To characterize the ejection and ionization of molecules, we have performed the experiments on emission of (D8Phe-H)- from the surface of bulk D8Phe (Y = 0.13) and from the single molecular layer of D8Phe deposited on bulk pyrolytic graphite (Y = 0.15). We show that, despite the similar yields of molecular ions, the scenario of the energy deposition and ejection of molecules is different for the case of graphene due to the confined volume of projectile-analyte interaction. The projectile impact on the graphene-D8Phe sample stimulates the collective radial movement of analyte atoms, which compresses the D8Phe layer radially from the hole. At the same time, this compression bends and stretches the graphene membrane around the hole thus accumulating potential energy. The accumulated potential energy is transformed into the kinetic energy of correlated movement upward for membrane atoms, thus the membrane acts as a trampoline for the molecules. The ejected molecules are effectively ionized; the ionization probability is ˜30× higher compared to that obtained for the bulk D8Phe target. The proposed mechanism of ionization involves tunneling of electrons from the vibrationally excited area around the hole to the molecules. Another proposed mechanism is a direct proton transfer exchange, which is suitable for a bulk target: ions of molecular fragments (i.e., CN-) generated in the impact area interact with intact molecules from the rim of this area. There is a direct proton exchange process for the system D8Phe molecule + CN-.

Molecular orbital imaging via above-threshold ionization with circularly polarized pulses.

PubMed

Zhu, Xiaosong; Zhang, Qingbin; Hong, Weiyi; Lu, Peixiang; Xu, Zhizhan

2011-07-18

Above-threshold ionization (ATI) for aligned or orientated linear molecules by circularly polarized laser pulsed is investigated. It is found that the all-round structural information of the molecular orbital is extracted with only one shot by the circularly polarized probe pulse rather than with multi-shot detections in a linearly polarized case. The obtained photoelectron momentum spectrum directly depicts the symmetry and electron distribution of the occupied molecular orbital, which results from the strong sensitivity of the ionization probability to these structural features. Our investigation indicates that the circularly polarized probe scheme would present a simple method to study the angle-dependent ionization and image the occupied electronic orbital.

THE EFFECT OF IONIZING RADIATIONS ON ONTOGENESIS IN BIRDS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dinu, M.

1963-01-01

The effect of strong doses of ionizing radiations on the ontogenetic development of birds and formation of mutations was studied. The data obtained show that ionizing radiations have a different effect on the biological substratum, depending on their nature and relationship to physiological limits. Gamma radiations have a negative action on the biochemical process altering ths substratum and upsetting the entity of heredity. It was found that x rays produce a temporary stimulating effect on metabolic processes influencing the vitality, ontogenetic development, resistance, the appearance of sexual instinct, and the fertility. Ionizing radiations affect functioning of endocrinic glands and consequentlymore » the ratio of sexes in the offspring. From the results obtained it cand be stated that strong doses of ionizing radiations may be used to obtain variation of mutations, and that in general they are a factor in the evolution of the living organism. (OTS)« less

Prompt ionization in the CRIT II barium releases. [Critical Ionization Tests

NASA Technical Reports Server (NTRS)

Torbert, R. B.; Kletzing, C. A.; Liou, K.; Rau, D.

1992-01-01

Observations of electron and ion distributions inside a fast neutral barium jet in the ionosphere show significant fluxes within 4 km of release, presumably related to beam plasma instability processes involved in the Critical Ionization Velocity (CIV) effect. Electron fluxes exceeding 5 x 10 exp 12/sq cm-str-sec-keV were responsible for ionizing both the streaming barium and ambient oxygen. Resulting ion fluxes seem to be consistent with 1-2 percent ionization of the fast barium, as reported by optical observations, although the extended spatial distribution of the optically observed ions is difficult to reconcile with the in situ observations. When the perpendicular velocity of the neutrals falls below critical values, these processes shut off. Although these observations resemble the earlier Porcupine experimental results (Haerendel, 1982), theoretical understanding of the differences between these data and that of earlier negative experiments is still lacking.

An integrated experimental and theoretical reaction path search: analyses of the multistage reaction of an ionized diethylether dimer involving isomerization, proton transfer, and dissociation.

PubMed

Matsuda, Yoshiyuki; Xie, Min; Fujii, Asuka

2018-05-30

An ionization-induced multistage reaction of an ionized diethylether (DEE) dimer involving isomerization, proton transfer, and dissociation is investigated by combining infrared (IR) spectroscopy, tandem mass spectrometry, and a theoretical reaction path search. The vertically-ionized DEE dimer isomerizes to a hydrogen-bonded cluster of protonated DEE and the [DEE-H] radical through barrierless intermolecular proton transfer from the CH bond of the ionized moiety. This isomerization process is confirmed by IR spectroscopy and the theoretical reaction path search. The multiple dissociation pathways following the isomerization are analyzed by tandem mass spectrometry. The isomerized cluster dissociates stepwise into a [protonated DEE-acetaldehyde (AA)] cluster, protonated DEE, and protonated AA. The structure of the fragment ion is also analyzed by IR spectroscopy. The reaction map of the multistage processes is revealed through a harmony of these experimental and theoretical methods.

Principles and Techniques of Radiation Chemistry.

ERIC Educational Resources Information Center

Dorfman, Leon M.

1981-01-01

Discusses the physical processes involved in the deposition of energy from ionizing radiation in the absorber system. Identifies principles relevant to these processes which are responsible for ionization and excitation of the components of the absorber system. Briefly describes some experimental techniques in use in radiation chemical studies.…

Probing resonant energy transfer in collisions of ammonia with Rydberg helium atoms by microwave spectroscopy

NASA Astrophysics Data System (ADS)

Zhelyazkova, V.; Hogan, S. D.

2017-12-01

We present the results of experiments demonstrating the spectroscopic detection of Förster resonance energy transfer from NH3 in the X1A1 ground electronic state to helium atoms in 1sns 3S1 Rydberg levels, where n = 37 and n = 40. For these values of n, the 1sns 3S1 → 1snp 3PJ transitions in helium lie close to resonance with the ground-state inversion transitions in NH3 and can be tuned through resonance using electric fields of less than 10 V/cm. In the experiments, energy transfer was detected by direct state-selective electric field ionization of the 3S1 and 3PJ Rydberg levels and by monitoring the population of the 3DJ levels following pulsed microwave transfer from the 3PJ levels. Detection by microwave spectroscopic methods represents a highly state selective, low-background approach to probing the collisional energy transfer process and the environment in which the atom-molecule interactions occur. The experimentally observed electric-field dependence of the resonant energy transfer process, probed both by direct electric field ionization and by microwave transfer, agrees well with the results of calculations performed using a simple theoretical model of the energy transfer process. For measurements performed in zero electric field with atoms prepared in the 1s40s 3S1 level, the transition from a regime in which a single energy transfer channel can be isolated for detection to one in which multiple collision channels begin to play a role has been identified as the NH3 density was increased.

Soft Ionization of Saturated Hydrocarbons, Alcohols and Nonpolar Compounds by Negative-Ion Direct Analysis in Real-Time Mass Spectrometry

NASA Astrophysics Data System (ADS)

Cody, Robert B.; Dane, A. John

2013-03-01

Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾•. No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.

Soft ionization of saturated hydrocarbons, alcohols and nonpolar compounds by negative-ion direct analysis in real-time mass spectrometry.

PubMed

Cody, Robert B; Dane, A John

2013-03-01

Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾(•). No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.

An alternative origin for extraterrestrial biomolecules from the hot and ionized photosphere of the protosolar nebula.

NASA Astrophysics Data System (ADS)

Bekaert, D. V.; Derenne, S.; Tissandier, L.; Marrocchi, Y.; Anquetil, C.; Marty, B.

2017-12-01

Organic matter (OM) synthesized from plasma experiments (so-called Nebulotron) can provide an insight into the processes of organosynthesis within the ionized gas phase of the protosolar nebula (PSN). Organic materials recovered from Nebulotron experiments have a record of success in reproducing key features of chondritic insoluble organic matter (IOM), including the aromatic/aliphatic and soluble/insoluble ratios [1], the occurrence of D/H hot and cold spots [2], spectral features as well as elementary and isotopic patterns observed in trapped noble gases [3]. However, up until now little attention has been paid to the soluble fraction of the recovered OM (SOM). In this study, a high-vacuum plasma setting was designed to produce organic condensates from a CO-N2-H2 gas mixture reminiscent of the PSN. The chemical diversity of the synthetized SOM has been investigated by gas chromatography - mass spectrometry. Our results show that a large range of biomolecules detected in meteorites and comets could have been directly synthetized from the gas phase of the PSN under high ionization rates and temperatures > 800 K. Among other molecules, urea, formamide, glycerol, hydantoin, carboxylic acids, as well as amino acid and nucleobase derivatives are reported. While photochemical processing of interstellar icy grains or asteroidal aqueous alteration are often advocated for the origin of biomolecules in extraterrestrial samples, our results suggest that biomolecule production was also effective in the hot and ionized photosphere of the PSN. Interestingly, solid-state 13C Nuclear Magnetic Resonance spectra of the Nebulotron IOM, indicates that they are very low in aromatics relative to extraterrestrial samples. Given that aromatic units in meteoritic IOM likely result from the cyclization/aromatization of aliphatic chains in the gas [1], Nebulotron-like aliphatic materials could represent the initial precursors of meteoritic OM [4]. These materials would be widespread in the protoplanetary disk through turbulent diffusion, thus representing potential precursors of meteoritic organics before their subsequent modification by secondary parent body processes. [1] Biron et al. (2015) MAPS 50(8); [2] Robert et al. (2017) PNAS 114(5); [3] Kuga et al. (2015) PNAS 112(23); [4] Derenne and Robert (2010) MAPS 45(9).

Interatomic relaxation processes induced in neon dimers by electron-impact ionization

NASA Astrophysics Data System (ADS)

Yan, S.; Zhang, P.; Stumpf, V.; Gokhberg, K.; Zhang, X. C.; Xu, S.; Li, B.; Shen, L. L.; Zhu, X. L.; Feng, W. T.; Zhang, S. F.; Zhao, D. M.; Ma, X.

2018-01-01

We report an experimental observation of the interatomic Coulombic decay (ICD) and radiative charge-transfer (RCT) processes in a Ne dimer (e ,2 e ) following a 380-eV electron impact. By detecting the N e+-N e+ cation pair and one of the emitted electrons in coincidence, the fingerprint of the ICD process initiated by the inner-valence ionization of Ne is obtained. Furthermore, the experimental results and ab initio calculations together unambiguously confirm the occurrence of the RCT process, and we show that most of the low-energy electrons produced in ionization of the Ne dimers are due to the ICD, which strongly suggests the importance of the ICD in causing radiation damage in a biological medium.

Directional Degradation of Spectralon Diffuser Under Ionizing Radiation for Calibration of Space-Based Sensors

NASA Technical Reports Server (NTRS)

Georgiev, G. T.; Butler, J. J.; Kowalewski, M. G.; Ding, L.

2012-01-01

Assessment of the effect of Vacuum Ultra Violet (VUV) irradiation on the Bidirectional Reflectance Distribution Function (BRDF) of Spectralon is presented in this paper. The sample was a 99% white Spectralon calibration standard irradiated with VUV source positioned at 60o off the irradiation direction for a total of 20 hours. The BRDF before and after VUV irradiation was measured and compared at number of wavelengths in the UV, VIS and IR. Non-isotropic directional degradation of Spectralon diffuser under ionizing radiation was detected at different BRDF measurement geometries primarily at UV spectral range. The 8o directional/hemispherical reflectance of the same sample was also measured and compared from 200nm to 2500nm. Index Terms BRDF, Reflectance, Multiangular, Spectralon, Remote Sensing

Indirect contributions to electron-impact ionization of Li+ (1 s 2 s S31 ) ions: Role of intermediate double-K -vacancy states

NASA Astrophysics Data System (ADS)

Müller, A.; Borovik, A.; Huber, K.; Schippers, S.; Fursa, D. V.; Bray, I.

2018-02-01

Fine details of the cross section for electron-impact ionization of metastable two-electron Li+(1 s 2 s S31) ions are scrutinized by both experiment and theory. Beyond direct knockoff ionization, indirect ionization mechanisms proceeding via formation of intermediate double-K-vacancy (hollow) states either in a Li+ ion or in a neutral lithium atom and subsequent emission of one or two electrons, respectively, can contribute to the net production of Li2 + ions. The partial cross sections for such contributions are less than 4% of the total single-ionization cross section. The characteristic steps, resonances, and interference phenomena in the indirect ionization contribution are measured with an experimental energy spread of less than 0.9 eV and with a statistical relative uncertainty of the order of 1.7%, requiring a level of statistical uncertainty in the total single-ionization cross section of better than 0.05%. The measurements are accompanied by convergent-close-coupling calculations performed on a fine energy grid. Theory and experiment are in remarkable agreement concerning the fine details of the ionization cross section. Comparison with previous R-matrix results is less favorable.

Laser-Induced Ionization Efficiency Enhancement On A Filament For Thermal Ionization Mass Spectrometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Siegfried, M.

2015-10-14

The evaluation of trace Uranium and Plutonium isotope ratios for nanogram to femtogram material quantities is a vital tool for nuclear counter-proliferation and safeguard activities. Thermal Ionization Mass Spectrometry (TIMS) is generally accepted as the state of the art technology for highly accurate and ultra-trace measurements of these actinide ratios. However, the very low TIMS ionization yield (typically less than 1%) leaves much room for improvement. Enhanced ionization of Nd and Sm from a TIMS filament was demonstrated using wavelength resonance with a nanosecond (pulse width) laser operating at 10 Hz when light was directed toward the filament.1 For thismore » study, femtosecond and picosecond laser capabilities were to be employed to study the dissociation and ionization mechanisms of actinides/lanthanides and measure the enhanced ionization of the metal of interest. Since the underlying chemistry of the actinide/lanthanide carbides produced and dissociated on a TIMS filament is not well understood, the experimental parameters affecting the photodissociation and photoionization with one and two laser beams were to be investigated.« less

Ionization of Local Interstellar Gas Based on STIS and FUSE spectra of Nearby Stars

NASA Astrophysics Data System (ADS)

Redfield, Seth; Linsky, J. L.

2009-01-01

The ultraviolet contains many resonance line transitions that are sensitive to a range of ionization stages of ions present in the local interstellar medium (LISM). We couple observations of high resolution ultraviolet spectrographs, STIS and GHRS on the Hubble Space Telescope (HST) and the Far-Ultraviolet Spectroscopic Explorer (FUSE) in order to make a comprehensive survey of the ionization structure of the local interstellar medium. In particular, we focus on the sight line toward G191-B2B, a nearby (69 pc) white dwarf. We present interstellar detections of highly ionized elements (e.g., SiIII, CIII, CIV, etc) and compare them directly to neutral or singly ionized LISM detections (e.g., SiII, CII, etc). The extensive observations of G191-B2B provides an opportunity for a broad study of ionization stages of several elements, while a survey of several sight lines provides a comprehensive look at the ionization structure of the LISM. We acknowledge support for this project through NASA FUSE Grant NNX06AD33G.

Is ionizing radiation regulated more stringently than chemical carcinogens

DOE Office of Scientific and Technical Information (OSTI.GOV)

Travis, C.C.; Pack, S.R.; Hattemer-Frey, H.A.

1989-04-01

It is widely believed that United States government agencies regulate exposure to ionizing radiation more stringently than exposure to chemical carcinogens. It is difficult to verify this perception, however, because chemical carcinogens and ionizing radiation are regulated using vastly different strategies. Chemical carcinogens are generally regulated individually. Regulators consider the risk of exposure to one chemical rather than the cumulative radiation exposure from all sources. Moreover, standards for chemical carcinogens are generally set in terms of quantities released or resultant environmental concentrations, while standards for ionizing radiation are set in terms of dose to the human body. Since chemicals andmore » ionizing radiation cannot be compared on the basis of equal dose to the exposed individual, standards regulating chemicals and ionizing radiation cannot be compared directly. It is feasible, however, to compare the two sets of standards on the basis of equal risk to the exposed individual, assuming that standards for chemicals and ionizing radiation are equivalent if estimated risk levels are equitable. This paper compares risk levels associated with current standards for ionizing radiation and chemical carcinogens. The authors do not attempt to determine whether either type of risk is regulated too stringently or not stringently enough but endeavor only to ascertain if ionizing radiation is actually regulated more strictly than chemical carcinogens.« less

Ionization processes in combined high-voltage nanosecond - laser discharges in inert gas

NASA Astrophysics Data System (ADS)

Starikovskiy, Andrey; Shneider, Mikhail; PU Team

2016-09-01

Remote control of plasmas induced by laser radiation in the atmosphere is one of the challenging issues of free space communication, long-distance energy transmission, remote sensing of the atmosphere, and standoff detection of trace gases and bio-threat species. Sequences of laser pulses, as demonstrated by an extensive earlier work, offer an advantageous tool providing access to the control of air-plasma dynamics and optical interactions. The avalanche ionization induced in a pre-ionized region by infrared laser pulses where investigated. Pre-ionization was created by an ionization wave, initiated by high-voltage nanosecond pulse. Then, behind the front of ionization wave extra avalanche ionization was initiated by the focused infrared laser pulse. The experiment was carried out in argon. It is shown that the gas pre-ionization inhibits the laser spark generation under low pressure conditions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fincke, J.R.; Swank, W.D.; Haggard, D.C.

This paper describes the experimental demonstration of a process for the direct plasma reduction of depleted uranium hexafluoride to uranium metal. The process exploits the large departures from equilibrium that can be achieved in the rapid supersonic expansion of a totally dissociated and partially ionized mixture of UF{sub 6}, Ar, He, and H{sub 2}. The process is based on the rapid condensation of subcooled uranium vapor and the relatively slow rate of back reaction between metallic uranium and HF to F{sub 2} to reform stable fluorides. The high translational velocities and rapid cooling result in an overpopulation of atomic hydrogenmore » which persists throughout the expansion process. Atomic hydrogen shifts the equilibrium composition by inhibiting the reformation of uranium-fluorine compounds. This process has the potential to reduce the cost of reducing UF{sub 6} to uranium metal with the added benefit of being a virtually waste free process. The dry HF produced is a commodity which has industrial value.« less

Ionization and expansion of barium clouds in the ionosphere

NASA Technical Reports Server (NTRS)

Ma, T.-Z.; Schunk, R. W.

1993-01-01

A recently envelope 3D model is used here to study the motion of the barium clouds released in the ionosphere, including the ionization stage. The ionization and the expansion of the barium clouds and the interaction between the clouds and the background ions are investigated using three simulations: a cloud without a directional velocity, a cloud with an initial velocity of 5 km/s across the B field, and a cloud with initial velocity components of 2 km/s both along and across the B field.

Atmospheric pressure matrix-assisted laser desorption/ionization mass spectrometry of friction modifier additives analyzed directly from base oil solutions.

PubMed

Widder, Lukas; Brennerb, Josef; Huttera, Herbert

2014-01-01

To develop new products and to apply measures of quality control quick and simple accessibility of additive composition in automo- tive lubrication is important. The aim of this study was to investigate the possibility of analyzing organic friction modifier additives by means of atmospheric pressure matrix-assisted laser desorption/ionization mass spectrometry [AP-MALDI-MS] from lubricant solu- tions without the use of additional separation techniques. Analyses of selected friction modifier ethoxylated tallow amines and oleic acid amide were compared using two ionization methods, positive-ion electrospray ionization (ESI) and AP-MALDI, using a LTQ Orbitrap mass spectrometer. Pure additives were characterized from solvent solutions, as well as from synthetic and mineral base oil mixtures. Detected ions of pure additive samples consisted mainly of [M + H]+, but also alkaLi metal adducts [M + Na]+ and [M + K]+ could be seen. Characterizations of blends of both friction modifiers from the base oil mixtures were carried out as well and showed significant inten- sities for several additive peaks. Thus, this work shows a method to directly analyze friction modifier additives used in the automotive industry from an oil blend via the use of AP-MALDI without any further separation steps. The method presented will further simplify the acquisition of data on lubricant composition and additives. Furthermore, it allows the perspective of analyzing additive reaction products directly from formulated oil blends.

Electron-helium S-wave model benchmark calculations. II. Double ionization, single ionization with excitation, and double excitation

NASA Astrophysics Data System (ADS)

Bartlett, Philip L.; Stelbovics, Andris T.

2010-02-01

The propagating exterior complex scaling (PECS) method is extended to all four-body processes in electron impact on helium in an S-wave model. Total and energy-differential cross sections are presented with benchmark accuracy for double ionization, single ionization with excitation, and double excitation (to autoionizing states) for incident-electron energies from threshold to 500 eV. While the PECS three-body cross sections for this model given in the preceding article [Phys. Rev. A 81, 022715 (2010)] are in good agreement with other methods, there are considerable discrepancies for these four-body processes. With this model we demonstrate the suitability of the PECS method for the complete solution of the electron-helium system.

Mercury's complex exosphere: results from MESSENGER's third flyby.

PubMed

Vervack, Ronald J; McClintock, William E; Killen, Rosemary M; Sprague, Ann L; Anderson, Brian J; Burger, Matthew H; Bradley, E Todd; Mouawad, Nelly; Solomon, Sean C; Izenberg, Noam R

2010-08-06

During MESSENGER's third flyby of Mercury, the Mercury Atmospheric and Surface Composition Spectrometer detected emission from ionized calcium concentrated 1 to 2 Mercury radii tailward of the planet. This measurement provides evidence for tailward magnetospheric convection of photoions produced inside the magnetosphere. Observations of neutral sodium, calcium, and magnesium above the planet's north and south poles reveal altitude distributions that are distinct for each species. A two-component sodium distribution and markedly different magnesium distributions above the two poles are direct indications that multiple processes control the distribution of even single species in Mercury's exosphere.

Laser-based methods for the analysis of low molecular weight compounds in biological matrices.

PubMed

Kiss, András; Hopfgartner, Gérard

2016-07-15

Laser-based desorption and/or ionization methods play an important role in the field of the analysis of low molecular-weight compounds (LMWCs) because they allow direct analysis with high-throughput capabilities. In the recent years there were several new improvements in ionization methods with the emergence of novel atmospheric ion sources such as laser ablation electrospray ionization or laser diode thermal desorption and atmospheric pressure chemical ionization and in sample preparation methods with the development of new matrix compounds for matrix-assisted laser desorption/ionization (MALDI). Also, the combination of ion mobility separation with laser-based ionization methods starts to gain popularity with access to commercial systems. These developments have been driven mainly by the emergence of new application fields such as MS imaging and non-chromatographic analytical approaches for quantification. This review aims to present these new developments in laser-based methods for the analysis of low-molecular weight compounds by MS and several potential applications. Copyright © 2016 Elsevier Inc. All rights reserved.

Ionization Cross Sections and Dissociation Channels of the DNA Sugar-Phosphate Backbone by Electron Collisions

NASA Technical Reports Server (NTRS)

Dateo, Christopher; Huo, Winifred M.; Fletcher, Graham D.

2004-01-01

It has been suggested that the genotoxic effects of ionizing radiation in living cells are not caused by the highly energetic incident radiation, but rather are induced by less energetic secondary species generated, the most abundant of which are free electrons.' The secondary electrons will further react to cause DNA damage via indirect and direct mechanisms. Detailed knowledge of these mechanisms is ultimately important for the development of global models of cellular radiation damage. We are studying one possible mechanism for the formation cf DNA strand breaks involving dissociative ionization of the DNA sugar-phosphate backbone induced by secondary electron co!lisions. We will present ionization cross sections at electron collision energies between threshold and 10 KeV using the improved binary encounter dipole (iBED) formulation' Preliminary results of the possible dissociative ionization pathways will be presented. It is speculated that radical fragments produced from the dissociative ionization can further react, providing a possible mechanism for double strand breaks and base damage.

Miniature Free-Space Electrostatic Ion Thrusters

NASA Technical Reports Server (NTRS)

Hartley, Frank T.; Stephens, James B.

2006-01-01

A miniature electrostatic ion thruster is proposed for maneuvering small spacecraft. In a thruster based on this concept, one or more propellant gases would be introduced into an ionizer based on the same principles as those of the device described in an earlier article, "Miniature Bipolar Electrostatic Ion Thruster". On the front side, positive ions leaving an ionizer element would be accelerated to high momentum by an electric field between the ionizer and an accelerator grid around the periphery of the concave laminate structure. On the front side, electrons leaving an ionizer element would be ejected into free space by a smaller accelerating field. The equality of the ion and electron currents would eliminate the need for an additional electron- or ion-emitting device to keep the spacecraft charge-neutral. In a thruster design consisting of multiple membrane ionizers in a thin laminate structure with a peripheral accelerator grid, the direction of thrust could then be controlled (without need for moving parts in the thruster) by regulating the supply of gas to specific ionizer.

Electron affinities and ionization energies of Cu and Ag delafossite compounds: A hybrid functional study

NASA Astrophysics Data System (ADS)

Miao, Mao-Sheng; Yarbro, Sam; Barton, Phillip T.; Seshadri, Ram

2014-01-01

Using density functional theory with a hybrid functional, we calculate the ionization energies and electron affinities of a series of delafossite compounds (AMO2: A =Cu, Ag; M =B, Al, Ga, In, Sc). The alignments of the valence band maximum and the conduction band minimum, which directly relate to the ionization energies and electron affinities, were obtained by calculations of supercell slab models constructed in a nonpolar orientation. Our calculations reveal that the ionization energy decreases with an increasing atomic number of group-III elements, and thus suggest an improved p-type doping propensity for heavier compounds. For keeping both a low ionization energy and a band gap of sufficient size, CuScO2 is superior to the Cu-based group-III delafossites. By analyzing the electronic structures, we demonstrate that the compositional trend of the ionization energies and electron affinities is the result of a combined effect of d-band broadening due to Cu(Ag)-Cu(Ag) coupling and a repositioning of the d-band center.

A theoretical study of the adiabatic and vertical ionization potentials of water.

PubMed

Feller, David; Davidson, Ernest R

2018-06-21

Theoretical predictions of the three lowest adiabatic and vertical ionization potentials of water were obtained from the Feller-Peterson-Dixon approach. This approach combines multiple levels of coupled cluster theory with basis sets as large as aug-cc-pV8Z in some cases and various corrections up to and including full configuration interaction theory. While agreement with experiment for the adiabatic ionization potential of the lowest energy 2 B 1 state was excellent, differences for other states were much larger, sometimes exceeding 10 kcal/mol (0.43 eV). Errors of this magnitude are inconsistent with previous benchmark work on 52 adiabatic ionization potentials, where a root mean square of 0.20 kcal/mol (0.009 eV) was found. Difficulties in direct comparisons between theory and experiment for vertical ionization potentials are discussed. With regard to the differences found for the 2 A 1 / 2 Π u and 2 B 2 adiabatic ionization potentials, a reinterpretation of the experimental spectrum appears justified.

Possible modification of the cooling index of interstellar helium pickup ions by electron impact ionization in the inner heliosphere

NASA Astrophysics Data System (ADS)

Chen, Jun Hong; Bochsler, Peter; Möbius, Eberhard; Gloeckler, George

2014-09-01

Interstellar neutrals penetrating into the inner heliosphere are ionized by photoionization, charge exchange with solar wind ions, and electron impact ionization. These processes comprise the first step in the evolution of interstellar pickup ion (PUI) distributions. Typically, PUI distributions have been described in terms of velocity distribution functions that cool adiabatically under solar wind expansion, with a cooling index of 3/2. Recently, the cooling index has been determined experimentally in observations of He PUI distributions with Advanced Composition Explorer (ACE)/Solar Wind Ion Composition Spectrometer and found to vary substantially over the solar cycle. The experimental determination of the cooling index depends on the knowledge of the ionization rates and their spatial variation. Usually, ionization rates increase with 1/r2 as neutral particles approach the Sun, which is not exactly true for electron impact ionization, because the electron temperature increases with decreasing distance from the Sun due to the complexity of its distributions and different radial gradients in temperature. This different dependence on distance may become important in the study of the evolution of PUI distributions and is suspected as one of the potential reasons for the observed variation of the cooling index. Therefore, we investigate in this paper the impact of electron ionization on the variability of the cooling index. We find that the deviation of the electron ionization rate from the canonical 1/r2 behavior of other ionization processes plays only a minor role.

Processes of ionization of atoms in nonstationary states by the field of an attosecond pulse

NASA Astrophysics Data System (ADS)

Makarov, D. N.; Matveev, V. I.

2015-02-01

Processes of ionization at the interaction of attosecond pulses of an electromagnetic field with atoms in nonstationary states have been considered. The probabilities and ionization cross section at the radiative relaxation of an excited state of a single-electron atom and at the Auger decay of the autoionization state of a two-electron atom have been calculated. The developed method allows the expansion to the case of more complex targets, including those in the collision state, and to various chemical reactions.

Physical parameters for proton induced K-, L-, and M-shell ionization processes

NASA Astrophysics Data System (ADS)

Shehla; Puri, Sanjiv

2016-10-01

The proton induced atomic inner-shell ionization processes comprising radiative and non-radiative transitions are characterized by physical parameters, namely, the proton ionization cross sections, X-ray emission rates, fluorescence yields and Coster-Kronig (CK) transition probabilities. These parameters are required to calculate the K/L/M shell X-ray production (XRP) cross sections and relative X-ray intensity ratios, which in turn are required for different analytical applications. The current status of different physical parameters is presented in this report for use in various applications.

Pump-Probe Fragmentation Action Spectroscopy: A Powerful Tool to Unravel Light-Induced Processes in Molecular Photocatalysts.

PubMed

Imanbaew, Dimitri; Lang, Johannes; Gelin, Maxim F; Kaufhold, Simon; Pfeffer, Michael G; Rau, Sven; Riehn, Christoph

2017-05-08

We present a proof of concept that ultrafast dynamics combined with photochemical stability information of molecular photocatalysts can be acquired by electrospray ionization mass spectrometry combined with time-resolved femtosecond laser spectroscopy in an ion trap. This pump-probe "fragmentation action spectroscopy" gives straightforward access to information that usually requires high purity compounds and great experimental efforts. Results of gas-phase studies on the electronic dynamics of two supramolecular photocatalysts compare well to previous findings in solution and give further evidence for a directed electron transfer, a key process for photocatalytic hydrogen generation. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Radiation sterilization of medical devices. Effects of ionizing radiation on ultra-high molecular-weight polyethylene

NASA Astrophysics Data System (ADS)

Buchalla, R.; Schüttler, C.; Bögl, K. W.

1995-02-01

Sterilization by ionizing radiation has become, next to ethylene oxide treament, the most important "cold" sterilization process for medical devices made from plastics. The effects of ionizing radiation on the most important polymer for medical devices, ultra-high molecular-weight polyethylene, are briefly described in this review.

How to examine soil sorption of ionizable organic compounds and avoid varying pH?

NASA Astrophysics Data System (ADS)

Borisover, Mikhail

2017-04-01

Multiple natural and anthropogenic organic compounds including new and emerging pollutants undergo ionization in aqueous solutions, and their sorption by soils and sediments is contributed by presence of both molecular and ionized species. Better understanding of environmental fate of organic chemicals requires taking into account interactions of molecular and ionized species with environmental sorbents. A "standard" (and undoubtedly important) procedure for differentiating contributions of molecular and ionized species into the overall soil sorption of an organic compound involves varying pH of solution in batch sorption experiments. However, varying pH is (1) often not possible, without destroying a sorbent, e.g., due to the buffer capacity of soils containing carbonates, (2) difficult for further interpretation, since it changes not only the ionization status of a solute in a solution but also the sorbent structure, e.g., a conformation of organic matter, and/or ionization of surface functional groups, (3) making difficult (or even impossible) to explicitly evaluate the role of dissolved species-bulk water interactions, directly affecting the affinity of a sorbate to distribute between water and a sorbent. Indeed, both molecular and ionized species undergo interactions with the solvent bulk and, at least in the case of the ionized ones, there was no a simple way to quantify organic ion-water interactions and their role in organic ion distribution between soil and water phases. This paper presents a "counter-intuitive" approach to examine sorption interactions of an ionizable compound, without experimenting with varied pH. The approach is based on an idea of replacing an initial state in sorption transfer of an ionizable compound from the solvent bulk to a solvated (hydrated) sorbed state: a traditional coefficient describing distribution of a partially ionized compound between a hydrated sorbent and a co-equilibrated aqueous phase is converted to the coefficient describing the transfer of the sorbing compound from its initial molecular (non-ionized) state (in a solution or in the gas phase) to the final hydrated sorbed state equilibrated with the actual aqueous solution of this ionizable compound. In this way, any contributions from the bulk solvent-organic ion interactions into the sorption transfer may be excluded; in addition, further any solute-solvent interactions may be taken out of the consideration. Therefore, compound's sorption characteristics "cleared" of solute-solvent interactions may be obtained, and a better understanding of relations between interactions in a sorbed phase and a molecular structure of organic sorbates can be reached. The approach is illustrated by examining sorption of variously ionized organic compounds, i.e., those belonging to the pharmaceuticals and personal care products (triclosan, gemfibrozil, galaxolide), and aliphatic organic acids on natural and organic amendment-enriched soils. Specifically, it is demonstrated how the greater H-donating ability of trifluoroacetic acid, as compared with acetic acid, strengthens the acid interactions in the soil phase. In another series of examples, it is shown how hydrophobic and non-ionizing galaxolide interacts weakly with soils, as compared with partially ionized triclosan and almost fully ionized gemfibrozil, i.e., leading to the conclusions not reachable based only on the direct comparison of experimentally measured distribution coefficients.

Time-dependent density-functional theory with optimized effective potential and self-interaction correction and derivative discontinuity for the treatment of double ionization of He and Be atoms in intense laser fields

NASA Astrophysics Data System (ADS)

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

2013-05-01

We present a self-interaction-free time-dependent density-functional theory (TDDFT) for the treatment of double-ionization processes of many-electron systems. The method is based on the extension of the Krieger-Li-Iafrate (KLI) treatment of the optimized effective potential (OEP) theory and the incorporation of an explicit self-interaction correction (SIC) term. In the framework of the time-dependent density functional theory, we have performed three-dimensional (3D) calculations of double ionization of He and Be atoms by intense near-infrared laser fields. We make use of the exchange-correlation potential with the integer discontinuity which improves the description of the double-ionization process. We found that a proper description of the double ionization requires the TDDFT exchange-correlation potential with the discontinuity with respect to the variation of the total particle number (TPN). The results for the intensity-dependent rates of double ionization of He and Be atoms are presented.

New Experimental Results of Simulating Micrometeoroid Ablation in the Laboratory

NASA Astrophysics Data System (ADS)

Sternovsky, Zoltan; Thomas, Evan; DeLuca, Michael; Janches, Diego; Munsat, Tobin; Plane, John

2017-04-01

A facility is developed to simulate the ablation of micrometeoroids in laboratory conditions, which also allows measuring the ionization probability of the ablated material. An electrostatic dust accelerator is used to generate iron, aluminum and meteoric analog particles with velocities 10-50 km/s. The particles are then introduced into a cell filled with nitrogen, air or carbon dioxide gas with pressures adjustable in the 0.02 - 0.5 Torr range, where the partial or complete ablation of the particle occurs over a short distance. An array of biased electrodes is used to collect the ionized products with spatial resolution along the ablating particles' path, allowing thus the study of the temporal resolution of the process. A new optical observation setup using a 64 channel PMT system was added to the setup to allow the observation of the ablating particle and deceleration of the particle from the neutral drag. A simple ablation model is used to match the observations. For completely ablated particles the total collected charge directly yields the ionization efficiency. The measurements using iron particles in N2 and air are in relatively good agreement with earlier data. The new experimental data using aluminum particles suggest that the neutral drag acting of the particle is smaller than expected.

Investigating the temporal domain of massive ionized jets - I. A pilot study

NASA Astrophysics Data System (ADS)

Purser, S. J. D.; Lumsden, S. L.; Hoare, M. G.; Cunningham, N.

2018-03-01

We present sensitive (σ < 10 μJy beam- 1), radio continuum observations using the Australian Telescope Compact Array at frequencies of 6 and 9 GHz towards four massive young stellar objects (MYSOs). From a previous, less sensitive work, these objects are known to harbour ionized jets associated with radio lobes, which result from shock processes. In comparison with that work, further emission components are detected towards each MYSO. These include extended, direct, thermal emission from the ionized jet's stream, new radio lobes indicative of shocks close (<105 au) to the MYSO, three radio Herbig-Haro objects separated by up to 3.8 pc from the jet's launching site, and an IR-dark source coincident with CH3OH maser emission. No significant, integrated flux variability is detected towards any jets or shocked lobes, and only one proper motion is observed (1806± 596{{ km}{ s}^{-1}{ }} parallel to the jet axis of G310.1420+00.7583A). Evidence for precession is detected in all four MYSOs with precession periods and angles within the ranges 66-15 480 yr and 6°-36°, respectively. Should precession be the result of the influence from a binary companion, we infer orbital radii of 30-1800 au.

Probing the ionization wave packet and recollision dynamics with an elliptically polarized strong laser field in the nondipole regime

NASA Astrophysics Data System (ADS)

Maurer, J.; Willenberg, B.; Daněk, J.; Mayer, B. W.; Phillips, C. R.; Gallmann, L.; Klaiber, M.; Hatsagortsyan, K. Z.; Keitel, C. H.; Keller, U.

2018-01-01

We explore ionization and rescattering in strong mid-infrared laser fields in the nondipole regime over the full range of polarization ellipticity. In three-dimensional photoelectron momentum distributions (3D PMDs) measured with velocity map imaging spectroscopy, we observe the appearance of a sharp ridge structure along the major polarization axis. Within a certain range of ellipticity, the electrons in this ridge are clearly separated from the two lobes that commonly appear in the PMD with elliptically polarized laser fields. In contrast to the well-known lobes of direct electrons, the sharp ridge is created by Coulomb focusing of the softly recolliding electrons. These ridge electrons are directly related to a counterintuitive shift of the PMD peak opposite to the laser beam propagation direction when the dipole approximation breaks down. The ellipticity-dependent 3D PMDs give access to different ionization and recollision dynamics with appropriate filters in the momentum space. For example, we can extract information about the spread of the initial wave packet and the Coulomb momentum transfer of the rescattering electrons.

Direct analysis of herbal powders by pipette-tip electrospray ionization mass spectrometry.

PubMed

Wang, Haixing; So, Pui-Kin; Yao, Zhong-Ping

2014-01-27

Conventional electrospray ionization mass spectrometry (ESI-MS) is widely used for analysis of solution samples. The development of solid-substrate ESI-MS allows direct ionization analysis of bulky solid samples. In this study, we developed pipette-tip ESI-MS, a technique that combines pipette tips with syringe and syringe pump, for direct analysis of herbal powders, another common form of samples. We demonstrated that various herbal powder samples, including herbal medicines and food samples, could be readily online extracted and analyzed using this technique. Various powder samples, such as Rhizoma coptidis, lotus plumule, great burdock achene, black pepper, Panax ginseng, roasted coffee beans, Fructus Schisandrae Chinensis and Fructus Schisandrae Sphenantherae, were analyzed using pipette-tip ESI-MS and quality mass spectra with stable and durable signals could be obtained. Both positive and negative ion modes were attempted and various compounds including amino acids, oligosaccharides, glycosides, alkaloids, organic acids, ginosensides, flavonoids and lignans could be detected. Principal component analysis (PCA) based on the acquired mass spectra allowed rapid differentiation of closely related herbal species. Copyright © 2013 Elsevier B.V. All rights reserved.

Hardness assurance for proton direct ionization-induced SEEs using a high-energy proton beam

DOE PAGES

Dodds, Nathaniel Anson; Schwank, James R.; Shaneyfelt, Marty R.; ...

2014-11-06

The low-energy proton energy spectra of all shielded space environments have the same shape. This shape is easily reproduced in the laboratory by degrading a high-energy proton beam, producing a high-fidelity test environment. We use this test environment to dramatically simplify rate prediction for proton direct ionization effects, allowing the work to be done at high-energy proton facilities, on encapsulated parts, without knowledge of the IC design, and with little or no computer simulations required. Proton direct ionization (PDI) is predicted to significantly contribute to the total error rate under the conditions investigated. Scaling effects are discussed using data frommore » 65-nm, 45-nm, and 32-nm SOI SRAMs. These data also show that grazing-angle protons will dominate the PDI-induced error rate due to their higher effective LET, so PDI hardness assurance methods must account for angular effects to be conservative. As a result, we show that this angular dependence can be exploited to quickly assess whether an IC is susceptible to PDI.« less

AUTOMATED DECONVOLUTION OF COMPOSITE MASS SPECTRA OBTAINED WITH AN OPEN-AIR IONIZATIONS SOURCE BASED ON EXACT MASSES AND RELATIVE ISOTIPIC ABUNDANCES

EPA Science Inventory

Chemicals dispersed by accidental, deliberate, or weather-related events must be rapidly identified to assess health risks. Mass spectra from high levels of analytes obtained using rapid, open-air ionization by a Direct Analysis in Real Time (DART®) ion source often contain

Enhanced Ionization of Embedded Clusters by Electron-Transfer-Mediated Decay in Helium Nanodroplets.

PubMed

LaForge, A C; Stumpf, V; Gokhberg, K; von Vangerow, J; Stienkemeier, F; Kryzhevoi, N V; O'Keeffe, P; Ciavardini, A; Krishnan, S R; Coreno, M; Prince, K C; Richter, R; Moshammer, R; Pfeifer, T; Cederbaum, L S; Mudrich, M

2016-05-20

We report the observation of electron-transfer-mediated decay (ETMD) involving magnesium (Mg) clusters embedded in helium (He) nanodroplets. ETMD is initiated by the ionization of He followed by removal of two electrons from the Mg clusters of which one is transferred to the He ion while the other electron is emitted into the continuum. The process is shown to be the dominant ionization mechanism for embedded clusters for photon energies above the ionization potential of He. For Mg clusters larger than five atoms we observe stable doubly ionized clusters. Thus, ETMD provides an efficient pathway to the formation of doubly ionized cold species in doped nanodroplets.

Effect of multiple plasmon excitation on single, double and multiple ionizations of C60 in collisions with fast highly charged Si ions

NASA Astrophysics Data System (ADS)

Kelkar, A. H.; Kadhane, U.; Misra, D.; Kumar, A.; Tribedi, L. C.

2007-06-01

We have investigated the single and multiple ionizations of the C60 molecule in collisions with fast Siq+ projectiles for various projectile charge states (q) between q = 6 and 14. The q-dependence of the ionization cross sections and their ratios is compared with the giant dipole plasmon resonance (GDPR) model. The excellent qualitative agreement with the model in case of single and double ionizations and also a reasonable agreement with the triple (and to some extent with quadruple) ionization (without evaporation) yields signify dominant contributions of the single-, double- and triple-plasmon excitations on the single- and multiple-ionization process.

Transit dosimetry in IMRT with an a-Si EPID in direct detection configuration

NASA Astrophysics Data System (ADS)

Sabet, Mahsheed; Rowshanfarzad, Pejman; Vial, Philip; Menk, Frederick W.; Greer, Peter B.

2012-08-01

In this study an amorphous silicon electronic portal imaging device (a-Si EPID) converted to direct detection configuration was investigated as a transit dosimeter for intensity modulated radiation therapy (IMRT). After calibration to dose and correction for a background offset signal, the EPID-measured absolute IMRT transit doses for 29 fields were compared to a MatriXX two-dimensional array of ionization chambers (as reference) using Gamma evaluation (3%, 3 mm). The MatriXX was first evaluated as reference for transit dosimetry. The accuracy of EPID measurements was also investigated by comparison of point dose measurements by an ionization chamber on the central axis with slab and anthropomorphic phantoms in a range of simple to complex fields. The uncertainty in ionization chamber measurements in IMRT fields was also investigated by its displacement from the central axis and comparison with the central axis measurements. Comparison of the absolute doses measured by the EPID and MatriXX with slab phantoms in IMRT fields showed that on average 96.4% and 97.5% of points had a Gamma index<1 in head and neck and prostate fields, respectively. For absolute dose comparisons with anthropomorphic phantoms, the values changed to an average of 93.6%, 93.7% and 94.4% of points with Gamma index<1 in head and neck, brain and prostate fields, respectively. Point doses measured by the EPID and ionization chamber were within 3% difference for all conditions. The deviations introduced in the response of the ionization chamber in IMRT fields were<1%. The direct EPID performance for transit dosimetry showed that it has the potential to perform accurate, efficient and comprehensive in vivo dosimetry for IMRT.

Localized traveling ionization zones and their importance for the high power impulse magnetron sputtering process

NASA Astrophysics Data System (ADS)

Maszl, Christian

2016-09-01

High power impulse magnetron sputtering (HiPIMS) is a technique to deposit thin films with superior quality. A high ionization degree up to 90% and the natural occurence of high energetic metal ions are the reason why HiPIMS exceeds direct current magnetron sputtering in terms of coating quality. On the other hand HiPIMS suffers from a reduced efficiency, especially if metal films are produced. Therefore, a lot of research is done by experimentalists and theoreticians to clarify the transport mechanisms from target to substrate and to identify the energy source of the energetic metal ions. Magnetron plasmas are prone to a wide range of wave phenomena and instabilities. Especially, during HiPIMS at elevated power/current densities, symmetry breaks and self-organization in the plasma torus are observed. In this scenario localized travelling ionization zones with certain quasi-mode numbers are present which are commonly referred to as spokes. Because of their high rotation speed compared to typical process times of minutes their importance for thin film deposition was underestimated at first. Recent investigations show that spokes have a strong impact on particle transport, are probably the source of the high energetic metal ions and are therefore the essence of HiPIMS plasmas. In this contribution we will describe the current understanding of spokes, discuss implications for thin film synthesis and highlight open questions. This project is supported by the DFG (German Science Foundation) within the framework of the Coordinated Research Center SFB-TR 87 and the Research Department ``Plasmas with Complex Interactions'' at Ruhr-University Bochum.

Modeling of the initiation and evolution of a laser-ionized column in the lower atmosphere - 314.5 nm wavelength resonant multiphoton ionization of naturally occurring argon

NASA Technical Reports Server (NTRS)

Fetzer, G. J.; Stockley, J. E.

1992-01-01

A 3+1 resonant multiphoton ionization process in naturally occurring argon is studied at 314.5 nm as a candidate for providing a long ionized channel through the atmosphere. Results are presented which indicate peak electron densities up to 10 exp 8/cu cm can be created using laser intensities on the order of 10 exp 8 W/sq cm.

Electron impact ionization in the vicinity of comets

NASA Astrophysics Data System (ADS)

Cravens, T. E.; Kozyra, J. U.; Nagy, A. F.; Gombosi, T. I.; Kurtz, M.

1987-07-01

The solar wind interacts very strongly with the extensive cometary coma, and the various interaction processes are initiated by the ionization of cometary neutrals. The main ionization mechanism far outside the cometary bow shock is photoionization by solar extreme ultraviolet radiation.Electron distributions measured in the vicinity of comets Halley and Giacobini-Zinner by instruments on the VEGA and ICE spacecraft, respectively, are used to calculate electron impact ionization frequencies. Ionization by electrons is of comparable importance to photoionization in the magnetosheaths of Comets Halley and Giacobini-Zinner. The ionization frequency in the inner part of the cometary plasma region of comet Halley is several times greater than the photoionization value. Tables of ionization frequencies as functions of electron temperature are presented for H2O, CO2, CO, O, N2, and H.

Derivatization of Dextran for Multiply Charged Ion Formation and Electrospray Ionization Time-of-Flight Mass Spectrometric Analysis

NASA Astrophysics Data System (ADS)

Tapia, Jesus B.; Hibbard, Hailey A. J.; Reynolds, Melissa M.

2017-10-01

We present the use of a simple, one-pot derivatization to allow the polysaccharide dextran to carry multiple positive charges, shifting its molecular weight distribution to a lower m/ z range. We performed this derivatization because molecular weight measurements of polysaccharides by mass spectrometry are challenging because of their lack of readily ionizable groups. The absence of ionizable groups limits proton abstraction and suppresses proton adduction during the ionization process, producing mass spectra with predominantly singly charged metal adduct ions, thereby limiting the detection of large polysaccharides. To address this challenge, we derivatized dextran T1 (approximately 1 kDa) by attaching ethylenediamine, giving dextran readily ionizable, terminal amine functional groups. The attached ethylenediamine groups facilitated proton adduction during the ionization process in positive ion mode. Using the low molecular weight dextran T1, we tracked the number of ethylenediamine attachments by measuring the mass shift from underivatized to derivatized dextran T1. Using electrospray ionization time-of-flight mass spectrometry, we observed derivatized dextran chains ranging from two to nine glucose residues with between one and four attachments/charges. Our success in shifting derivatized dextran T1 toward the low m/ z range suggests potential for this derivatization as a viable route for analysis of high molecular weight polysaccharides using electrospray ionization time-of-flight mass spectrometry. [Figure not available: see fulltext.

Phosphorus ionization in silicon doped by self-assembled macromolecular monolayers

NASA Astrophysics Data System (ADS)

Wu, Haigang; Li, Ke; Gao, Xuejiao; Dan, Yaping

2017-10-01

Individual dopant atoms can be potentially controlled at large scale by the self-assembly of macromolecular dopant carriers. However, low concentration phosphorus dopants often suffer from a low ionization rate due to defects and impurities introduced by the carrier molecules. In this work, we demonstrated a nitrogen-free macromolecule doping technique and investigated the phosphorus ionization process by low temperature Hall effect measurements. It was found that the phosphorus dopants diffused into the silicon bulk are in nearly full ionization. However, the electrons ionized from the phosphorus dopants are mostly trapped by deep level defects that are likely carbon interstitials.

First Limit on the Direct Detection of Lightly Ionizing Particles for Electric Charge as Low as e / 1000 with the Majorana Demonstrator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alvis, S. I.; Arnquist, I. J.; Avignone, F. T.

The Majorana Demonstrator is an ultralow-background experiment searching for neutrinoless double-beta decay in 76Ge. The heavily shielded array of germanium detectors, placed nearly a mile underground at the Sanford Underground Research Facility in Lead, South Dakota, also allows searches for new exotic physics. Free, relativistic, lightly ionizing particles with an electrical charge less than e are forbidden by the standard model but predicted by some of its extensions. If such particles exist, they might be detected in the Majorana Demonstrator by searching for multiple-detector events with individual-detector energy depositions down to 1 keV. This search is background-free, and no candidatemore » events have been found in 285 days of data taking. As a result, new direct-detection limits are set for the flux of lightly ionizing particles for charges as low as e/1000.« less

First Limit on the Direct Detection of Lightly Ionizing Particles for Electric Charge as Low as e /1000 with the Majorana Demonstrator

NASA Astrophysics Data System (ADS)

Alvis, S. I.; Arnquist, I. J.; Avignone, F. T.; Barabash, A. S.; Barton, C. J.; Bertrand, F. E.; Brudanin, V.; Busch, M.; Buuck, M.; Caldwell, T. S.; Chan, Y.-D.; Christofferson, C. D.; Chu, P.-H.; Cuesta, C.; Detwiler, J. A.; Dunagan, C.; Efremenko, Yu.; Ejiri, H.; Elliott, S. R.; Gilliss, T.; Giovanetti, G. K.; Green, M. P.; Gruszko, J.; Guinn, I. S.; Guiseppe, V. E.; Haufe, C. R.; Hehn, L.; Henning, R.; Hoppe, E. W.; Howe, M. A.; Konovalov, S. I.; Kouzes, R. T.; Lopez, A. M.; Martin, R. D.; Massarczyk, R.; Meijer, S. J.; Mertens, S.; Myslik, J.; O'Shaughnessy, C.; Othman, G.; Pettus, W.; Poon, A. W. P.; Radford, D. C.; Rager, J.; Reine, A. L.; Rielage, K.; Robertson, R. G. H.; Ruof, N. W.; Shanks, B.; Shirchenko, M.; Suriano, A. M.; Tedeschi, D.; Varner, R. L.; Vasilyev, S.; Vorren, K.; White, B. R.; Wilkerson, J. F.; Wiseman, C.; Xu, W.; Yakushev, E.; Yu, C.-H.; Yumatov, V.; Zhitnikov, I.; Zhu, B. X.; Majorana Collaboration

2018-05-01

The Majorana Demonstrator is an ultralow-background experiment searching for neutrinoless double-beta decay in 76Ge. The heavily shielded array of germanium detectors, placed nearly a mile underground at the Sanford Underground Research Facility in Lead, South Dakota, also allows searches for new exotic physics. Free, relativistic, lightly ionizing particles with an electrical charge less than e are forbidden by the standard model but predicted by some of its extensions. If such particles exist, they might be detected in the Majorana Demonstrator by searching for multiple-detector events with individual-detector energy depositions down to 1 keV. This search is background-free, and no candidate events have been found in 285 days of data taking. New direct-detection limits are set for the flux of lightly ionizing particles for charges as low as e /1000 .

First Limit on the Direct Detection of Lightly Ionizing Particles for Electric Charge as Low as e / 1000 with the Majorana Demonstrator

DOE PAGES

Alvis, S. I.; Arnquist, I. J.; Avignone, F. T.; ...

2018-05-25

The Majorana Demonstrator is an ultralow-background experiment searching for neutrinoless double-beta decay in 76Ge. The heavily shielded array of germanium detectors, placed nearly a mile underground at the Sanford Underground Research Facility in Lead, South Dakota, also allows searches for new exotic physics. Free, relativistic, lightly ionizing particles with an electrical charge less than e are forbidden by the standard model but predicted by some of its extensions. If such particles exist, they might be detected in the Majorana Demonstrator by searching for multiple-detector events with individual-detector energy depositions down to 1 keV. This search is background-free, and no candidatemore » events have been found in 285 days of data taking. As a result, new direct-detection limits are set for the flux of lightly ionizing particles for charges as low as e/1000.« less

High-energy accelerator for beams of heavy ions

DOEpatents

Martin, Ronald L.; Arnold, Richard C.

1978-01-01

An apparatus for accelerating heavy ions to high energies and directing the accelerated ions at a target comprises a source of singly ionized heavy ions of an element or compound of greater than 100 atomic mass units, means for accelerating the heavy ions, a storage ring for accumulating the accelerated heavy ions and switching means for switching the heavy ions from the storage ring to strike a target substantially simultaneously from a plurality of directions. In a particular embodiment the heavy ion that is accelerated is singly ionized hydrogen iodide. After acceleration, if the beam is of molecular ions, the ions are dissociated to leave an accelerated singly ionized atomic ion in a beam. Extraction of the beam may be accomplished by stripping all the electrons from the atomic ion to switch the beam from the storage ring by bending it in magnetic field of the storage ring.

Characterization of ANFO explosive by high accuracy ESI(±)-FTMS with forensic identification on real samples by EASI(-)-MS.

PubMed

Hernandes, Vinicius Veri; Franco, Marcos Fernado; Santos, Jandyson Machado; Melendez-Perez, Jose J; de Morais, Damila Rodrigues; Rocha, Werickson Fortunato de Carvalho; Borges, Rodrigo; de Souza, Wanderley; Zacca, Jorge Jardim; Logrado, Lucio Paulo Lima; Eberlin, Marcos Nogueira; Correa, Deleon Nascimento

2015-04-01

Ammonium nitrate fuel oil (ANFO) is an explosive used in many civil applications. In Brazil, ANFO has unfortunately also been used in criminal attacks, mainly in automated teller machine (ATM) explosions. In this paper, we describe a detailed characterization of the ANFO composition and its two main constituents (diesel and a nitrate explosive) using high resolution and accuracy mass spectrometry performed on an FT-ICR-mass spectrometer with electrospray ionization (ESI(±)-FTMS) in both the positive and negative ion modes. Via ESI(-)-MS, an ion marker for ANFO was characterized. Using a direct and simple ambient desorption/ionization technique, i.e., easy ambient sonic-spray ionization mass spectrometry (EASI-MS), in a simpler, lower accuracy but robust single quadrupole mass spectrometer, the ANFO ion marker was directly detected from the surface of banknotes collected from ATM explosion theft. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Coupling carbon nanotube film microextraction with desorption corona beam ionization for rapid analysis of Sudan dyes (I-IV) and Rhodamine B in chilli oil.

PubMed

Chen, Di; Huang, Yun-Qing; He, Xiao-Mei; Shi, Zhi-Guo; Feng, Yu-Qi

2015-03-07

A rapid analysis method by coupling carbon nanotube film (CNTF) microextraction with desorption corona beam ionization (DCBI) was developed for the determination of Sudan dyes (I-IV) and Rhodamine B in chilli oil samples. Typically, CNTF was immersed into the diluted solution of chilli oil for extraction, which was then placed directly under the visible plasma beam tip of the DCBI source for desorption and ionization. Under optimized conditions, five dyes were simultaneously determined using this method. Results showed that the analytes were enriched by the CNTF through the π-π interactions, and the proposed method could significantly improve the sensitivities of these compounds, compared to the direct analysis by DCBI-MS/MS. The method with a linear range of 0.08-12.8 μg g(-1) and good linear relationships (R(2) > 0.93) in a multiple reaction monitoring (MRM) mode was developed. Satisfactory reproducibility was achieved. Relative standard deviations (RSDs) were less than 20.0%. The recoveries ranged from 80.0 to 110.0%, and the limits of detection (LODs) were in the range of 1.4-21 ng g(-1). Finally, the feasibility of the method was further exhibited by the determination of five illegal dyes in chilli powder. These results demonstrate that the proposed method consumes less time and solvent than conventional HPLC-based methods and avoids the contamination of chromatographic column and ion source from non-volatile oil. With the help of a 72-well shaker, multiple samples could be treated simultaneously, which ensures high throughput for the entire pretreatment process. In conclusion, it provides a rapid and high-throughput approach for the determination of such illicit additions in chilli products.

New Insights into the Mechanism Underlying the Synergistic Action of Ionizing Radiation With Platinum Chemotherapeutic Drugs: The Role of Low-Energy Electrons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rezaee, Mohammad, E-mail: Mohammad.Rezaee@USherbrooke.ca; Hunting, Darel John; Sanche, Léon

Purpose: To investigate the efficiencies of platinum chemotherapeutic drugs (Pt-drugs) in the sensitization of DNA to the direct effects of ionizing radiation and to determine the role of low-energy electrons (LEEs) in this process. Methods and Materials: Complexes of supercoiled plasmid DNA covalently bound to either cisplatin, carboplatin, or oxaliplatin were prepared in different molar ratios. Solid films of DNA and DNA modified by Pt-drugs were irradiated with either 10-KeV or 10-eV electrons. Damages to DNA were quantified by gel electrophoresis, and the yields for damage formation were obtained from exposure–response curves. Results: The presence of an average of 2more » Pt-drug–DNA adducts (Pt-adducts) in 3199-bp plasmid DNA increases the probability of a double-strand break by factors of 3.1, 2.5, and 2.4 for carboplatin, cisplatin, and oxaliplatin, respectively. Electrons with energies of 10 eV and 10 KeV interact with Pt-adducts to preferentially enhance the formation of cluster lesions. The maximum increase in radiosensitivity per Pt-adduct is found at ratios up to 3.1 × 10{sup −4} Pt-adducts per nucleotide, which is equivalent to an average of 2 adducts per plasmid. Carboplatin and oxaliplatin show higher efficiencies than cisplatin in the radiosensitization of DNA. Because carboplatin and cisplatin give rise to identical reactive species that attach to DNA, carboplatin must be considered as a better radiosensitizer for equal numbers of Pt-adducts. Conclusion: Platinum chemotherapeutic drugs preferentially enhance the formation of cluster damage to DNA induced by the direct effect of ionizing radiation, and LEEs are the main species responsible for such an enhancement via the formation of electron resonances.« less

Direct and non-destructive proof of authenticity for the 2nd generation of Brazilian real banknotes via easy ambient sonic spray ionization mass spectrometry.

PubMed

Schmidt, Eduardo Morgado; Franco, Marcos Fernando; Regino, Karen Gomes; Lehmann, Eraldo Luiz; Arruda, Marco Aurélio Zezzi; de Carvalho Rocha, Werickson Fortunato; Borges, Rodrigo; de Souza, Wanderley; Eberlin, Marcos Nogueira; Correa, Deleon Nascimento

2014-12-01

Using a desorption/ionization technique, easy ambient sonic-spray ionization coupled to mass spectrometry (EASI-MS), documents related to the 2nd generation of Brazilian Real currency (R$) were screened in the positive ion mode for authenticity based on chemical profiles obtained directly from the banknote surface. Characteristic profiles were observed for authentic, seized suspect counterfeit and counterfeited homemade banknotes from inkjet and laserjet printers. The chemicals in the authentic banknotes' surface were detected via a few minor sets of ions, namely from the plasticizers bis(2-ethylhexyl)phthalate (DEHP) and dibutyl phthalate (DBP), most likely related to the official offset printing process, and other common quaternary ammonium cations, presenting a similar chemical profile to 1st-generation R$. The seized suspect counterfeit banknotes, however, displayed abundant diagnostic ions in the m/z 400-800 range due to the presence of oligomers. High-accuracy FT-ICR MS analysis enabled molecular formula assignment for each ion. The ions were separated by 44 m/z, which enabled their characterization as Surfynol® 4XX (S4XX, XX=40, 65, and 85), wherein increasing XX values indicate increasing amounts of ethoxylation on a backbone of 2,4,7,9-tetramethyl-5-decyne-4,7-diol (Surfynol® 104). Sodiated triethylene glycol monobutyl ether (TBG) of m/z 229 (C10H22O4Na) was also identified in the seized counterfeit banknotes via EASI(+) FT-ICR MS. Surfynol® and TBG are constituents of inks used for inkjet printing. Copyright © 2014. Published by Elsevier Ireland Ltd.

New insights into the mechanism underlying the synergistic action of ionizing radiation with platinum chemotherapeutic drugs: the role of low-energy electrons.

PubMed

Rezaee, Mohammad; Hunting, Darel John; Sanche, Léon

2013-11-15

To investigate the efficiencies of platinum chemotherapeutic drugs (Pt-drugs) in the sensitization of DNA to the direct effects of ionizing radiation and to determine the role of low-energy electrons (LEEs) in this process. Complexes of supercoiled plasmid DNA covalently bound to either cisplatin, carboplatin, or oxaliplatin were prepared in different molar ratios. Solid films of DNA and DNA modified by Pt-drugs were irradiated with either 10-KeV or 10-eV electrons. Damages to DNA were quantified by gel electrophoresis, and the yields for damage formation were obtained from exposure-response curves. The presence of an average of 2 Pt-drug-DNA adducts (Pt-adducts) in 3199-bp plasmid DNA increases the probability of a double-strand break by factors of 3.1, 2.5, and 2.4 for carboplatin, cisplatin, and oxaliplatin, respectively. Electrons with energies of 10 eV and 10 KeV interact with Pt-adducts to preferentially enhance the formation of cluster lesions. The maximum increase in radiosensitivity per Pt-adduct is found at ratios up to 3.1×10(-4) Pt-adducts per nucleotide, which is equivalent to an average of 2 adducts per plasmid. Carboplatin and oxaliplatin show higher efficiencies than cisplatin in the radiosensitization of DNA. Because carboplatin and cisplatin give rise to identical reactive species that attach to DNA, carboplatin must be considered as a better radiosensitizer for equal numbers of Pt-adducts. Platinum chemotherapeutic drugs preferentially enhance the formation of cluster damage to DNA induced by the direct effect of ionizing radiation, and LEEs are the main species responsible for such an enhancement via the formation of electron resonances. Copyright © 2013 Elsevier Inc. All rights reserved.

New Insights into the Mechanism Underlying the Synergistic Action of Ionizing Radiation with Platinum Chemotherapeutic Drugs: The Role of Low-Energy Electrons

PubMed Central

Rezaee, Mohammad; Hunting, Darel John; Sanche, Léon

2013-01-01

Purpose To investigate the efficiencies of platinum chemotherapeutic drugs (Pt-drugs) in the sensitization of DNA to the direct effects of ionizing radiation and to determine the role of low-energy electrons (LEEs) in this process. Methods and Materials Complexes of supercoiled plasmid DNA covalently bound to either cisplatin, carboplatin or oxaliplatin were prepared in different molar ratios. Solid films of DNA and DNA modified by Pt-drugs were irradiated with either 10-KeV or 10-eV electrons. DNA damages were quantified by gel electrophoresis, and the yields for damage formation were obtained from exposure-response curves. Results The presence of an average of two Pt-adducts in 3199-bp plasmid DNA increases the probability of a double-strand break by factors of 3.1, 2.5 and 2.4 for carboplatin, cisplatin and oxaliplatin, respectively. Electrons with energies of 10-eV and 10-KeV interact with Pt-adducts to preferentially enhance the formation of cluster lesions. The maximum increase in radiosensitivity per Pt-adduct is found at ratios up to 3.1 × 10−4 Pt-adducts per nucleotide which is equivalent to an average of two adducts per plasmid. Carboplatin and oxaliplatin show higher efficiencies than cisplatin in the radiosensitization of DNA. Since carboplatin and cisplatin give rise to identical reactive species which attach to DNA, carboplatin must be considered as a better radiosensitizers for equal number of Pt-adducts. Conclusion Pt-drugs preferentially enhance the formation of cluster damage to DNA induced by the direct effect of ionizing radiation and LEEs are the main species responsible for such an enhancement via the formation of electron resonances. PMID:23910707

DOE Office of Scientific and Technical Information (OSTI.GOV)

Phipps, Arran T.J.

Determining the composition of dark matter is at the forefront of modern scientific research. There is compelling evidence for the existence of vast quantities of dark matter throughout the universe, however it has so-far eluded all direct detection efforts and its identity remains a mystery. Weakly interacting massive particles (WIMPs) are a favored dark matter candidate and have been the primary focus of direct detection for several decades. The Cryogenic Dark Matter Search (CDMS) has developed the Z-dependent Ionization and Phonon (ZIP) detector to search for such particles. Typically made from germanium, these detectors are capable of distinguishing between electromagneticmore » background and a putative WIMP signal through the simultaneous measurement of ionization and phonons produced by scattering events. CDMS has operated several arrays of these detectors at the Soudan Underground Laboratory (Soudan, MN, USA) resulting in many competitive (often world-leading) WIMP exclusion limits. This dissertation focuses on ionization collection in these detectors under the sub-Kelvin, low electric field, and high crystal purity conditions unique to CDMS. The design and performance of a fully cryogenic HEMT-based amplifier capable of achieving the SuperCDMS SNOLAB ionization energy resolution goal of 100 eVee is presented. The experimental apparatus which has been used to record electron and hole properties under CDMS conditions is described. Measurements of charge transport, trapping, and impact ionization as a function of electric field in two CDMS detectors are shown, and the ionization collection efficiency is determined. The data is used to predict the error in the nuclear recoil energy scale under both CDMSlite and iZIP operating modes. A two species, two state model is developed to describe how ionization collection and space charge generation in CDMS detectors are controlled by the presence of “overcharged” D- donor and A+ acceptor impurity states. The thermal stability of these states is exclusive to sub-Kelvin operation, explaining why ionization collection in CDMS detectors differs from similar semiconductor detectors operating at higher temperature. This work represents a solid foundation for the understanding ionization collection in CDMS detectors.« less

Cross sections for ionization of tetrahydrofuran by protons at energies between 300 and 3000 keV

NASA Astrophysics Data System (ADS)

Wang, Mingjie; Rudek, Benedikt; Bennett, Daniel; de Vera, Pablo; Bug, Marion; Buhr, Ticia; Baek, Woon Yong; Hilgers, Gerhard; Rabus, Hans

2016-05-01

Double-differential cross sections for ionization of tetrahydrofuran by protons with energies from 300 to 3000 keV were measured at the Physikalisch-Technische Bundesanstalt ion accelerator facility. The electrons emitted at angles between 15∘ and 150∘ relative to the ion-beam direction were detected with an electrostatic hemispherical electron spectrometer. Single-differential and total ionization cross sections have been derived by integration. The experimental results are compared to the semiempirical Hansen-Kocbach-Stolterfoht model as well as to the recently reported method based on the dielectric formalism. The comparison to the latter showed good agreement with experimental data in a broad range of emission angles and energies of secondary electrons. The scaling property of ionization cross sections for tetrahydrofuran was also investigated. Compared to molecules of different size, the ionization cross sections of tetrahydrofuran were found to scale with the number of valence electrons at large impact parameters.

Acetonitrile Ion Suppression in Atmospheric Pressure Ionization Mass Spectrometry

NASA Astrophysics Data System (ADS)

Colizza, Kevin; Mahoney, Keira E.; Yevdokimov, Alexander V.; Smith, James L.; Oxley, Jimmie C.

2016-11-01

Efforts to analyze trace levels of cyclic peroxides by liquid chromatography/mass spectrometry gave evidence that acetonitrile suppressed ion formation. Further investigations extended this discovery to ketones, linear peroxides, esters, and possibly many other types of compounds, including triazole and menadione. Direct ionization suppression caused by acetonitrile was observed for multiple adduct types in both electrospray ionization and atmospheric pressure chemical ionization. The addition of only 2% acetonitrile significantly decreased the sensitivity of analyte response. Efforts to identify the mechanism were made using various nitriles. The ion suppression was reduced by substitution of an acetonitrile hydrogen with an electron-withdrawing group, but was exacerbated by electron-donating or steric groups adjacent to the nitrile. Although current theory does not explain this phenomenon, we propose that polar interactions between the various functionalities and the nitrile may be forming neutral aggregates that manifest as ionization suppression.

A new ring-shaped graphite monitor ionization chamber

NASA Astrophysics Data System (ADS)

Yoshizumi, M. T.; Caldas, L. V. E.

2010-07-01

A ring-shaped monitor ionization chamber was developed at the Instituto de Pesquisas Energéticas e Nucleares. This ionization chamber presents an entrance window of aluminized polyester foil. The guard ring and collecting electrode are made of graphite coated Lucite plates. The main difference between this new ionization chamber and commercial monitor chambers is its ring-shaped design. The new monitor chamber has a central hole, allowing the passage of the direct radiation beam without attenuation; only the penumbra radiation is measured by the sensitive volume. This kind of ionization chamber design has already been tested, but using aluminium electrodes. By changing the electrode material from aluminium to a graphite coating, an improvement in the chamber response stability was expected. The pre-operational tests, as saturation curve, recombination loss and polarity effect showed satisfactory results. The repeatability and the long-term stability tests were also evaluated, showing good agreement with international recommendations.

Electron gyroharmonic effects in ionization and electron acceleration during high-frequency pumping in the ionosphere.

PubMed

Gustavsson, B; Leyser, T B; Kosch, M; Rietveld, M T; Steen, A; Brändström, B U E; Aso, T

2006-11-10

Optical emissions and incoherent scatter radar data obtained during high-frequency electromagnetic pumping of the ionospheric plasma from the ground give data on electron energization in an energy range from 2 to 100 eV. Optical emissions at 4278 A from N2+ that require electrons with energies above the 18 eV ionization energy give the first images ever of pump-induced ionization of the thermosphere. The intensity at 4278 A is asymmetric around the ionospheric electron gyroharmonic, being stronger above the gyroresonance. This contrasts with emissions at 6300 A from O(1D) and of electron temperature enhancements, which have minima at the gyroharmonic but have no apparent asymmetry. This direct evidence of pump-induced ionization contradicts previous indirect evidence, which indicated that ionization is most efficiently produced when the pump frequency was below the gyroharmonic.

Development and Applications of Liquid Sample Desorption Electrospray Ionization Mass Spectrometry

NASA Astrophysics Data System (ADS)

Zheng, Qiuling; Chen, Hao

2016-06-01

Desorption electrospray ionization mass spectrometry (DESI-MS) is a recent advance in the field of analytical chemistry. This review surveys the development of liquid sample DESI-MS (LS-DESI-MS), a variant form of DESI-MS that focuses on fast analysis of liquid samples, and its novel analy-tical applications in bioanalysis, proteomics, and reaction kinetics. Due to the capability of directly ionizing liquid samples, liquid sample DESI (LS-DESI) has been successfully used to couple MS with various analytical techniques, such as microfluidics, microextraction, electrochemistry, and chromatography. This review also covers these hyphenated techniques. In addition, several closely related ionization methods, including transmission mode DESI, thermally assisted DESI, and continuous flow-extractive DESI, are briefly discussed. The capabilities of LS-DESI extend and/or complement the utilities of traditional DESI and electrospray ionization and will find extensive and valuable analytical application in the future.

The accuracy of seminumerical reionization models in comparison with radiative transfer simulations

NASA Astrophysics Data System (ADS)

Hutter, Anne

2018-06-01

We have developed a modular seminumerical code that computes the time and spatially dependent ionization of neutral hydrogen (H I), neutral (He I), and single-ionized helium (He II) in the intergalactic medium (IGM). The model accounts for recombinations and provides different descriptions for the photoionization rate that are used to calculate the residual H I fraction in ionized regions. We compare different seminumerical reionization schemes to a radiative transfer (RT) simulation. We use the RT simulation as a benchmark, and find that the seminumerical approaches produce similar H II and He II morphologies and power spectra of the H I 21 cm signal throughout reionization. As we do not track partial ionization of He II, the extent of the double-ionized helium (He III) regions is consistently smaller. In contrast to previous comparison projects, the ionizing emissivity in our seminumerical scheme is not adjusted to reproduce the redshift evolution of the RT simulation, but directly derived from the RT simulation spectra. Among schemes that identify the ionized regions by the ratio of the number of ionization and absorption events on different spatial smoothing scales, we find those that mark the entire sphere as ionized when the ionization criterion is fulfilled to result in significantly accelerated reionization compared to the RT simulation. Conversely, those that flag only the central cell as ionized yield very similar but slightly delayed redshift evolution of reionization, with up to 20 per cent ionizing photons lost. Despite the overall agreement with the RT simulation, our results suggest that constraining ionizing emissivity-sensitive parameters from seminumerical galaxy formation-reionization models are subject to photon nonconservation.

The accuracy of semi-numerical reionization models in comparison with radiative transfer simulations

NASA Astrophysics Data System (ADS)

Hutter, Anne

2018-03-01

We have developed a modular semi-numerical code that computes the time and spatially dependent ionization of neutral hydrogen (H I), neutral (He I) and singly ionized helium (He II) in the intergalactic medium (IGM). The model accounts for recombinations and provides different descriptions for the photoionization rate that are used to calculate the residual H I fraction in ionized regions. We compare different semi-numerical reionization schemes to a radiative transfer (RT) simulation. We use the RT simulation as a benchmark, and find that the semi-numerical approaches produce similar H II and He II morphologies and power spectra of the H I 21cm signal throughout reionization. As we do not track partial ionization of He II, the extent of the double ionized helium (He III) regions is consistently smaller. In contrast to previous comparison projects, the ionizing emissivity in our semi-numerical scheme is not adjusted to reproduce the redshift evolution of the RT simulation, but directly derived from the RT simulation spectra. Among schemes that identify the ionized regions by the ratio of the number of ionization and absorption events on different spatial smoothing scales, we find those that mark the entire sphere as ionized when the ionization criterion is fulfilled to result in significantly accelerated reionization compared to the RT simulation. Conversely, those that flag only the central cell as ionized yield very similar but slightly delayed redshift evolution of reionization, with up to 20% ionizing photons lost. Despite the overall agreement with the RT simulation, our results suggests that constraining ionizing emissivity sensitive parameters from semi-numerical galaxy formation-reionization models are subject to photon nonconservation.

Production of bare argon, manganese, iron and nickel nuclei in the Dresden EBIT

NASA Astrophysics Data System (ADS)

Kentsch, U.; Zschornack, G.; Großmann, F.; Ovsyannikov, V. P.; Ullmann, F.; Fritzsche, S.; Surzhykov, A.

2002-02-01

The production of highly charged argon, manganese, iron and nickel ions in a room-temperature electron beam ion trap (EBIT), the Dresden EBIT, has been investigated by means of energy dispersive X-ray spectroscopy of the direct excitation (DE) and radiative recombination (RR) processes. To derive the charge state distributions of the ions in the trap, direct excitation and radiative recombination cross-sections were calculated at electron energies of 8 and 14.4 keV. Based on these theoretical cross-sections and the measured X-ray spectra, the ion densities and the absolute number of ions, which are trapped in the electron beam, are determined for argon, manganese, iron and nickel. Emphasis has been paid to the highly charged ions, including the helium-like and hydrogen-like ions and bare nuclei. In the case of iron we also determined the contributions from lower ionization stages from DE transition lines. It is shown, that in the Dresden EBIT elements at least up to nickel can be fully ionized. Beside energy dispersive spectroscopy it is shown for iron by wavelength dispersive X-ray spectroscopy that with a comparably high gas pressure in the order of 10 -8 mbar carbon-, boron-, beryllium-, lithium- and helium-like iron ions can be produced.

Two competing ionization processes in electrospray mass spectrometry of indolyl benzo[b]carbazoles: formation of M⁺• versus [M + H]⁺.

PubMed

Zhang, Xiaoping; Jiang, Kezhi; Zou, Jingfeng; Li, Zuguang

2015-02-15

Ionization in electrospray ionization mass spectrometry (ESI-MS) mainly occurs as a result of acid-base reactions or coordination with metal cations. Formation of the radical cation M(+•) in the ESI process has attracted our interest to perform further investigation. A series of indolyl benzo[b]carbazoles were investigated using a quadrupole ion trap mass spectrometer equipped with an ESI source or an atmospheric pressure chemical ionization (APCI) source in the positive-ion mode. Theoretical calculations were performed using the density functional theory (DFT) method at the B3LYP/6-31G(d) level. Both the radical ion M(+•) and the protonated molecule [M + H](+) were obtained by ESI-MS analysis of indolyl benzo[b]carbazoles, while only [M + H](+) was observed in the APCI-MS analysis. The relative intensities of M(+•) and [M + H](+) were significantly affected by several ESI operating parameters and the nature of the substituents. Formation of M(+•) and [M + H](+) was rationalized as two competing ionization processes in the ESI-MS analysis of indolyl benzo[b]carbazoles. Copyright © 2014 John Wiley & Sons, Ltd.

Ballistic Deficits for Ionization Chamber Pulses in Pulse Shaping Amplifiers

NASA Astrophysics Data System (ADS)

Kumar, G. Anil; Sharma, S. L.; Choudhury, R. K.

2007-04-01

In order to understand the dependence of the ballistic deficit on the shape of rising portion of the voltage pulse at the input of a pulse shaping amplifier, we have estimated the ballistic deficits for the pulses from a two-electrode parallel plate ionization chamber as well as for the pulses from a gridded parallel plate ionization chamber. These estimations have been made using numerical integration method when the pulses are processed through the CR-RCn (n=1-6) shaping network as well as when the pulses are processed through the complex shaping network of the ORTEC Model 472 spectroscopic amplifier. Further, we have made simulations to see the effect of ballistic deficit on the pulse-height spectra under different conditions. We have also carried out measurements of the ballistic deficits for the pulses from a two-electrode parallel plate ionization chamber as well as for the pulses from a gridded parallel plate ionization chamber when these pulses are processed through the ORTEC 572 linear amplifier having a simple CR-RC shaping network. The reasonable matching of the simulated ballistic deficits with the experimental ballistic deficits for the CR-RC shaping network clearly establishes the validity of the simulation technique

Sensing Properties of a Novel Temperature Sensor Based on Field Assisted Thermal Emission.

PubMed

Pan, Zhigang; Zhang, Yong; Cheng, Zhenzhen; Tong, Jiaming; Chen, Qiyu; Zhang, Jianpeng; Zhang, Jiaxiang; Li, Xin; Li, Yunjia

2017-02-27

The existing temperature sensors using carbon nanotubes (CNTs) are limited by low sensitivity, complicated processes, or dependence on microscopy to observe the experimental results. Here we report the fabrication and successful testing of an ionization temperature sensor featuring non-self-sustaining discharge. The sharp tips of nanotubes generate high electric fields at relatively low voltages, lowering the work function of electrons emitted by CNTs, and thereby enabling the safe operation of such sensors. Due to the temperature effect on the electron emission of CNTs, the collecting current exhibited an exponential increase with temperature rising from 20 °C to 100 °C. Additionally, a higher temperature coefficient of 0.04 K -1 was obtained at 24 V voltage applied on the extracting electrode, higher than the values of other reported CNT-based temperature sensors. The triple-electrode ionization temperature sensor is easy to fabricate and converts the temperature change directly into an electrical signal. It shows a high temperature coefficient and good application potential.

Sensing Properties of a Novel Temperature Sensor Based on Field Assisted Thermal Emission

PubMed Central

Pan, Zhigang; Zhang, Yong; Cheng, Zhenzhen; Tong, Jiaming; Chen, Qiyu; Zhang, Jianpeng; Zhang, Jiaxiang; Li, Xin; Li, Yunjia

2017-01-01

The existing temperature sensors using carbon nanotubes (CNTs) are limited by low sensitivity, complicated processes, or dependence on microscopy to observe the experimental results. Here we report the fabrication and successful testing of an ionization temperature sensor featuring non-self-sustaining discharge. The sharp tips of nanotubes generate high electric fields at relatively low voltages, lowering the work function of electrons emitted by CNTs, and thereby enabling the safe operation of such sensors. Due to the temperature effect on the electron emission of CNTs, the collecting current exhibited an exponential increase with temperature rising from 20 °C to 100 °C. Additionally, a higher temperature coefficient of 0.04 K−1 was obtained at 24 V voltage applied on the extracting electrode, higher than the values of other reported CNT-based temperature sensors. The triple-electrode ionization temperature sensor is easy to fabricate and converts the temperature change directly into an electrical signal. It shows a high temperature coefficient and good application potential. PMID:28264427

Ionizing Radiation-Induced Immune and Inflammatory Reactions in the Brain

PubMed Central

Lumniczky, Katalin; Szatmári, Tünde; Sáfrány, Géza

2017-01-01

Radiation-induced late brain injury consisting of vascular abnormalities, demyelination, white matter necrosis, and cognitive impairment has been described in patients subjected to cranial radiotherapy for brain tumors. Accumulating evidence suggests that various degrees of cognitive deficit can develop after much lower doses of ionizing radiation, as well. The pathophysiological mechanisms underlying these alterations are not elucidated so far. A permanent deficit in neurogenesis, chronic microvascular alterations, and blood–brain barrier dysfunctionality are considered among the main causative factors. Chronic neuroinflammation and altered immune reactions in the brain, which are inherent complications of brain irradiation, have also been directly implicated in the development of cognitive decline after radiation. This review aims to give a comprehensive overview on radiation-induced immune alterations and inflammatory reactions in the brain and summarizes how these processes can influence cognitive performance. The available data on the risk of low-dose radiation exposure in the development of cognitive impairment and the underlying mechanisms are also discussed. PMID:28529513

Properties of nearby interstellar hydrogen deduced from Lyman-alpha sky background measurements

NASA Technical Reports Server (NTRS)

Thomas, G. E.

1972-01-01

For a sufficiently rapid relative motion of the solar system and the nearby interstellar gas, neutral atoms may be expected to penetrate the heliosphere before becoming ionized. Recent satellite measurements of the Lyman alpha emission above the geocorona indicate such an interstellar wind of neutral hydrogen emerging from the direction of Sagittarius and reaching to within a few astronomical units of the sun. A detailed model of the scattering of solar Lyman alpha from the spatial distribution of neutral hydrogen in interplanetary space is presented. This asymmetric distribution is established by solar wind and solar ultraviolet ionization processes along the trajectories of the incoming hydrogen atoms. The values of the interstellar density, the relative velocity, and the gas temperature are adjusted to agree with the Lyman alpha measurements. The results may be interpreted in terms of two models, the cold model and the hot model of the interstellar gas, depending on whether galactic Lyman alpha emission is present at its maximum allowable value or negligibly small.

Condensed Phase Membrane Introduction Mass Spectrometry with Direct Electron Ionization: On-line Measurement of PAHs in Complex Aqueous Samples

NASA Astrophysics Data System (ADS)

Termopoli, Veronica; Famiglini, Giorgio; Palma, Pierangela; Cappiello, Achille; Vandergrift, Gregory W.; Krogh, Erik T.; Gill, Chris G.

2016-02-01

Polycyclic aromatic hydrocarbons (PAHs) are USEPA regulated priority pollutants. Their low aqueous solubility requires very sensitive analytical methods for their detection, typically involving preconcentration steps. Presented is the first demonstrated `proof of concept' use of condensed phase membrane introduction mass spectrometry (CP-MIMS) coupled with direct liquid electron ionization (DEI) for the direct, on-line measurement of PAHs in aqueous samples. DEI is very well suited for the ionization of PAHs and other nonpolar compounds, and is not significantly influenced by the co-elution of matrix components. Linear calibration data for low ppb levels of aqueous naphthalene, anthracene, and pyrene is demonstrated, with measured detection limits of 4 ppb. Analytical response times (t10%-90% signal rise) ranged from 2.8 min for naphthalene to 4.7 min for pyrene. Both intra- and interday reproducibility has been assessed (<3% and 5% RSD, respectively). Direct measurements of ppb level PAHs spiked in a variety of real, complex environmental sample matrices is examined, including natural waters, sea waters, and a hydrocarbon extraction production waste water sample. For these spiked, complex samples, direct PAH measurement by CP-MIMS-DEI yielded minimal signal suppression from sample matrix effects (81%-104%). We demonstrate the use of this analytical approach to directly monitor real-time changes in aqueous PAH concentrations with potential applications for continuous on-line monitoring strategies and binding/adsorption studies in heterogeneous samples.

Trace detection of organic compounds in complex sample matrixes by single photon ionization ion trap mass spectrometry: real-time detection of security-relevant compounds and online analysis of the coffee-roasting process.

PubMed

Schramm, Elisabeth; Kürten, Andreas; Hölzer, Jasper; Mitschke, Stefan; Mühlberger, Fabian; Sklorz, Martin; Wieser, Jochen; Ulrich, Andreas; Pütz, Michael; Schulte-Ladbeck, Rasmus; Schultze, Rainer; Curtius, Joachim; Borrmann, Stephan; Zimmermann, Ralf

2009-06-01

An in-house-built ion trap mass spectrometer combined with a soft ionization source has been set up and tested. As ionization source, an electron beam pumped vacuum UV (VUV) excimer lamp (EBEL) was used for single-photon ionization. It was shown that soft ionization allows the reduction of fragmentation of the target analytes and the suppression of most matrix components. Therefore, the combination of photon ionization with the tandem mass spectrometry (MS/MS) capability of an ion trap yields a powerful tool for molecular ion peak detection and identification of organic trace compounds in complex matrixes. This setup was successfully tested for two different applications. The first one is the detection of security-relevant substances like explosives, narcotics, and chemical warfare agents. One test substance from each of these groups was chosen and detected successfully with single photon ionization ion trap mass spectrometry (SPI-ITMS) MS/MS measurements. Additionally, first tests were performed, demonstrating that this method is not influenced by matrix compounds. The second field of application is the detection of process gases. Here, exhaust gas from coffee roasting was analyzed in real time, and some of its compounds were identified using MS/MS studies.

Rapid Detection and Identification of Candidemia by Direct Blood Culturing on Solid Medium by Use of Lysis-Centrifugation Method Combined with Matrix-Assisted Laser Desorption Ionization-Time of Flight Mass Spectrometry (MALDI-TOF MS).

PubMed

Idelevich, Evgeny A; Grünastel, Barbara; Becker, Karsten

2017-01-01

Candida sepsis is a life-threatening condition with increasing prevalence. In this study, direct blood culturing on solid medium using a lysis-centrifugation procedure enabled successful Candida species identification by matrix-assisted laser desorption-ionization time of flight mass spectrometry on average 3.8 h (Sabouraud agar) or 7.4 h (chocolate agar) before the positivity signal for control samples in Bactec mycosis-IC/F or Bactec Plus aerobic/F bottles, respectively. Direct culturing on solid medium accelerated candidemia diagnostics compared to that with automated broth-based systems. Copyright © 2016 American Society for Microbiology.

Numerical quasi-linear study of the critical ionization velocity phenomenon

NASA Technical Reports Server (NTRS)

Moghaddam-Taaheri, E.; Goertz, C. K.

1993-01-01

The critical ionization velocity (CIV) for a neutral barium (Ba) gas cloud moving across the static magnetic field is studied numerically using quasi-linear equations and a parameter range which is typical for the shaped-charge Ba gas release experiments in space. For consistency the charge exchange between the background oxygen ions and neutral atoms and its reverse process, as well as the excitation of the neutral Ba atoms, are included. The numerical results indicate that when the ionization rate due to CIV becomes comparable to the charge exchange rate the energy lost to the ionization and excitation collisions by the superthermal electrons exceeds the energy gain from the waves that are excited by the ion beam. This results in a CIV yield less than the yield by the charge exchange process.

Orbital Picture of Ionization and Its Breakdown in Nanoarrays of Quantum Dots

NASA Astrophysics Data System (ADS)

Bâldea, Ioan; Cederbaum, Lorenz S.

2002-09-01

We present exact numerical results indicating that ionization could be a useful tool to study electron correlations in artificial molecules and nanoarrays of metallic quantum dots. For nanorings consisting of Ag quantum dots of the type already fabricated, we demonstrate that the molecular orbital picture breaks down even for lowest energy ionization processes, in contrast to ordinary molecules. Our ionization results yield a transition point between localization and delocalization regimes in good agreement with various experimental data.

Ionizing radiation-induced metabolic oxidative stress and prolonged cell injury

PubMed Central

Azzam, Edouard I.; Jay-Gerin, Jean-Paul; Pain, Debkumar

2013-01-01

Cellular exposure to ionizing radiation leads to oxidizing events that alter atomic structure through direct interactions of radiation with target macromolecules or via products of water radiolysis. Further, the oxidative damage may spread from the targeted to neighboring, non-targeted bystander cells through redox-modulated intercellular communication mechanisms. To cope with the induced stress and the changes in the redox environment, organisms elicit transient responses at the molecular, cellular and tissue levels to counteract toxic effects of radiation. Metabolic pathways are induced during and shortly after the exposure. Depending on radiation dose, dose-rate and quality, these protective mechanisms may or may not be sufficient to cope with the stress. When the harmful effects exceed those of homeostatic biochemical processes, induced biological changes persist and may be propagated to progeny cells. Physiological levels of reactive oxygen and nitrogen species play critical roles in many cellular functions. In irradiated cells, levels of these reactive species may be increased due to perturbations in oxidative metabolism and chronic inflammatory responses, thereby contributing to the long-term effects of exposure to ionizing radiation on genomic stability. Here, in addition to immediate biological effects of water radiolysis on DNA damage, we also discuss the role of mitochondria in the delayed outcomes of ionization radiation. Defects in mitochondrial functions lead to accelerated aging and numerous pathological conditions. Different types of radiation vary in their linear energy transfer (LET) properties, and we discuss their effects on various aspects of mitochondrial physiology. These include short and long-term in vitro and in vivo effects on mitochondrial DNA, mitochondrial protein import and metabolic and antioxidant enzymes. PMID:22182453

The Evolution of Electrospray Generated Droplets is Not Affected by Ionization Mode

NASA Astrophysics Data System (ADS)

Liigand, Piia; Heering (Suu), Agnes; Kaupmees, Karl; Leito, Ivo; Girod, Marion; Antoine, Rodolphe; Kruve, Anneli

2017-10-01

Ionization efficiency and mechanism in ESI is strongly affected by the properties of mobile phase. The use of mobile-phase properties to accurately describe droplets in ESI source is convenient but may be inadequate as the composition of the droplets is changing in the plume due to electrochemical reactions occurring in the needle tip as well as continuous drying and fission of droplets. Presently, there is paucity of research on the effect of the polarity of the ESI mode on mobile phase composition in the droplets. In this paper, the change in the organic solvent content, pH, and droplet size are studied in the ESI plume in both ESI+ and ESI- ionization mode. We introduce a rigorous way - the absolute pH (pHabs H 2 O) - to describe pH change in the plume that takes into account organic solvent content in the mobile phase. pHabs H 2 O enables comparing acidities of ESI droplets with different organic solvent contents. The results are surprisingly similar for both ionization modes, indicating that the dynamics of the change of mobile-phase properties is independent from the ESI mode used. This allows us to conclude that the evolution of ESI droplets first of all proceeds via the evaporation of the organic modifier and to a lesser extent via fission of smaller droplets from parent droplets. Secondly, our study shows that qualitative findings related to the ESI process obtained on the ESI+ mode can almost directly be applied also in the ESI- mode. [Figure not available: see fulltext.

Direct profiling of phytochemicals in tulip tissues and in vivo monitoring of the change of carbohydrate content in tulip bulbs by probe electrospray ionization mass spectrometry.

PubMed

Yu, Zhan; Chen, Lee Chuin; Suzuki, Hiroaki; Ariyada, Osamu; Erra-Balsells, Rosa; Nonami, Hiroshi; Hiraoka, Kenzo

2009-12-01

Probe electrospray ionization (PESI) is a recently developed ESI-based ionization technique which generates electrospray from the tip of a solid needle. In this study, we have applied PESI interfaced with a time of flight mass spectrometer (TOF-MS) for direct profiling of phytochemicals in a section of a tulip bulb in different regions, including basal plate, outer and inner rims of scale, flower bud and foliage leaves. Different parts of tulip petals and leaves have also been investigated. Carbohydrates, amino acids and other phytochemicals were detected. A series of in vivo PESI-MS experiments were carried out on the second outermost scales of four living tulip bulbs to monitoring the change of carbohydrate content during the first week of initial growth. The breakdown of carbohydrates was observed which was in accordance with previous reports achieved by other techniques. This study has indicated that PESI-MS can be used for rapid and direct analysis of phytochemicals in living biological systems with advantages of low sample consumption and little sample preparation. Therefore, PESI-MS can be a new choice for direct analysis/profiling of bioactive compounds or monitoring metabolic changes in living biological systems.

Dissociative Ionization of Benzene by Electron Impact

NASA Technical Reports Server (NTRS)

Huo, Winifred; Dateo, Christopher; Kwak, Dochan (Technical Monitor)

2002-01-01

We report a theoretical study of the dissociative ionization (DI) of benzene from the low-lying ionization channels. Our approach makes use of the fact that electron motion is much faster than nuclear motion and DI is treated as a two-step process. The first step is electron-impact ionization resulting in an ion with the same nuclear geometry as the neutral molecule. In the second step the nuclei relax from the initial geometry and undergo unimolecular dissociation. For the ionization process we use the improved binary-encounter dipole (iBED) model. For the unimolecular dissociation step, we study the steepest descent reaction path to the minimum of the ion potential energy surface. The path is used to analyze the probability of unimolecular dissociation and to determine the product distributions. Our analysis of the dissociation products and the thresholds of the productions are compared with the result dissociative photoionization measurements of Feng et al. The partial oscillator strengths from Feng et al. are then used in the iBED cross section calculations.

Production of low kinetic energy electrons and energetic ion pairs by Intermolecular Coulombic Decay.

PubMed

Hergenhahn, Uwe

2012-12-01

The paper gives an introduction into Interatomic and Intermolecular Coulombic Decay (ICD). ICD is an autoionization process, which contrary to Auger decay involves neighbouring sites of the initial vacancy as an integral part of the decay transition. As a result of ICD, slow electrons are produced which generally are known to be active in radiation damage. The author summarizes the properties of ICD and reviews a number of important experiments performed in recent years. Intermolecular Coulombic Decay can generally take place in weakly bonded aggregates in the presence of ionizing particles or ionizing radiation. Examples collected here mostly use soft X-rays produced by synchrotron radiation to ionize, and use rare-gas clusters, water clusters or solutes in a liquid jet to observe ICD after irradiation. Intermolecular Coulombic Decay is initiated by single ionization into an excited state. The subsequent relaxation proceeds via an ultra-fast energy transfer to a neighbouring site, where a second ionization occurs. Secondary electrons from ICD have clearly been identified in numerous systems. ICD can take place after primary ionization, as the second step of a decay cascade which also involves Auger decay, or after resonant excitation with an energy which exceeds the ionization potential of the system. ICD is expected to play a role whenever particles or radiation with photon energies above the ionization energies for inner valence electrons are present in weakly bonded matter, e.g., biological tissue. The process produces at the same time a slow electron and two charged atomic or molecular fragments, which will lead to structural changes around the ionized site.

VUV photo-processing of PAH cations: quantitative study on the ionization versus fragmentation processes

PubMed Central

Zhen, Junfeng; Castillo, Sarah Rodriguez; Joblin, Christine; Mulas, Giacomo; Sabbah, Hassan; Giuliani, Alexandre; Nahon, Laurent; Martin, Serge; Champeaux, Jean-Philippe; Mayer, Paul M.

2016-01-01

Interstellar polycyclic aromatic hydrocarbons (PAHs) are strongly affected by the absorption of vacuum ultraviolet (VUV) photons in the interstellar medium (ISM), yet the branching ratio between ionization and fragmentation is poorly studied. This is crucial for the stability and charge state of PAHs in the ISM in different environments, affecting in turn the chemistry, the energy balance, and the contribution of PAHs to the extinction and emission curves. We studied the interaction of PAH cations with VUV photons in the 7 – 20 eV range from the synchrotron SOLEIL beamline, DESIRS. We recorded by action spectroscopy the relative intensities of photo-fragmentation and photo-ionization for a set of eight PAH cations ranging in size from 14 to 24 carbon atoms, with different structures. At photon energies below ~13.6 eV fragmentation dominates for the smaller species, while for larger species ionization is immediately competitive after the second ionization potential (IP). At higher photon energies, all species behave similarly, the ionization yield gradually increases, leveling off between 0.8 and 0.9 at ~18 eV. Among isomers, PAH structure appears to mainly affect the fragmentation cross section, but not the ionization cross section. We also measured the second IP for all species and the third IP for two of them, all are in good agreement with theoretical ones confirming that PAH cations can be further ionized in the diffuse ISM. Determining actual PAH dication abundances in the ISM will require detailed modeling. Our measured photo-ionization yields for several PAH cations provide a necessary ingredient for such models. PMID:27212712

VUV photo-processing of PAH cations: quantitative study on the ionization versus fragmentation processes.

PubMed

Zhen, Junfeng; Castillo, Sarah Rodriguez; Joblin, Christine; Mulas, Giacomo; Sabbah, Hassan; Giuliani, Alexandre; Nahon, Laurent; Martin, Serge; Champeaux, Jean-Philippe; Mayer, Paul M

2016-05-10

Interstellar polycyclic aromatic hydrocarbons (PAHs) are strongly affected by the absorption of vacuum ultraviolet (VUV) photons in the interstellar medium (ISM), yet the branching ratio between ionization and fragmentation is poorly studied. This is crucial for the stability and charge state of PAHs in the ISM in different environments, affecting in turn the chemistry, the energy balance, and the contribution of PAHs to the extinction and emission curves. We studied the interaction of PAH cations with VUV photons in the 7 - 20 eV range from the synchrotron SOLEIL beamline, DESIRS. We recorded by action spectroscopy the relative intensities of photo-fragmentation and photo-ionization for a set of eight PAH cations ranging in size from 14 to 24 carbon atoms, with different structures. At photon energies below ~13.6 eV fragmentation dominates for the smaller species, while for larger species ionization is immediately competitive after the second ionization potential (IP). At higher photon energies, all species behave similarly, the ionization yield gradually increases, leveling off between 0.8 and 0.9 at ~18 eV. Among isomers, PAH structure appears to mainly affect the fragmentation cross section, but not the ionization cross section. We also measured the second IP for all species and the third IP for two of them, all are in good agreement with theoretical ones confirming that PAH cations can be further ionized in the diffuse ISM. Determining actual PAH dication abundances in the ISM will require detailed modeling. Our measured photo-ionization yields for several PAH cations provide a necessary ingredient for such models.

The Neutral Islands during the Late Epoch of Reionization

NASA Astrophysics Data System (ADS)

Xu, Yidong; Yue, Bin; Chen, Xuelei

2018-05-01

The large-scale structure of the ionization field during the epoch of reionization (EoR) can be modeled by the excursion set theory. While the growth of ionized regions during the early stage are described by the ``bubble model'', the shrinking process of neutral regions after the percolation of the ionized region calls for an ``island model''. An excursion set based analytical model and a semi-numerical code (islandFAST) have been developed. The ionizing background and the bubbles inside the islands are also included in the treatment. With two kinds of absorbers of ionizing photons, i.e. the large-scale under-dense neutral islands and the small-scale over-dense clumps, the ionizing background are self-consistently evolved in the model.

A Comparison of Tissue Spray and Lipid Extract Direct Injection Electrospray Ionization Mass Spectrometry for the Differentiation of Eutopic and Ectopic Endometrial Tissues

NASA Astrophysics Data System (ADS)

Chagovets, Vitaliy; Wang, Zhihao; Kononikhin, Alexey; Starodubtseva, Natalia; Borisova, Anna; Salimova, Dinara; Popov, Igor; Kozachenko, Andrey; Chingin, Konstantin; Chen, Huanwen; Frankevich, Vladimir; Adamyan, Leila; Sukhikh, Gennady

2018-02-01

Recent research revealed that tissue spray mass spectrometry enables rapid molecular profiling of biological tissues, which is of great importance for the search of disease biomarkers as well as for online surgery control. However, the payback for the high speed of analysis in tissue spray analysis is the generally lower chemical sensitivity compared with the traditional approach based on the offline chemical extraction and electrospray ionization mass spectrometry detection. In this study, high resolution mass spectrometry analysis of endometrium tissues of different localizations obtained using direct tissue spray mass spectrometry in positive ion mode is compared with the results of electrospray ionization analysis of lipid extracts. Identified features in both cases belong to three lipid classes: phosphatidylcholines, phosphoethanolamines, and sphingomyelins. Lipids coverage is validated by hydrophilic interaction liquid chromatography with mass spectrometry of lipid extracts. Multivariate analysis of data from both methods reveals satisfactory differentiation of eutopic and ectopic endometrium tissues. Overall, our results indicate that the chemical information provided by tissue spray ionization is sufficient to allow differentiation of endometrial tissues by localization with similar reliability but higher speed than in the traditional approach relying on offline extraction.

Update on Bio-Refining and Nanocellulose Composite Materials Manufacturing.

PubMed

Postek, Michael T; Poster, Dianne L

2017-01-01

Nanocellulose is a high value material that has gained increasing attention because of its high strength, stiffness, unique photonic and piezoelectric properties, high stability and uniform structure. One of the factors limiting the potential of nanocellulose and the vast array of potential new products is the ability to produce high-volume quantities of this nano-material. However, recent research has demonstrated that nanocellulose can be efficently produced in large volumes from wood at relatively low cost by the incorporation of ionizing radiation in the process stream. Ionizing radiation causes significant break down of the polysaccharides and leads to the production of potentially useful gaseous products such as H 2 and CO. Ionizing radiation processing remains an open field, ripe for innovation and application. This presentation will review the strong collaboration between the National Institute of Standards and Technology (NIST) and its academic partners pursuing the demonstration of applied ionizing radiation processing to plant materials for the manufacturing and characterization of novel nanomaterials.

Update on Bio-Refining and Nanocellulose Composite Materials Manufacturing

PubMed Central

Postek, Michael T.; Poster, Dianne L.

2017-01-01

Nanocellulose is a high value material that has gained increasing attention because of its high strength, stiffness, unique photonic and piezoelectric properties, high stability and uniform structure. One of the factors limiting the potential of nanocellulose and the vast array of potential new products is the ability to produce high-volume quantities of this nano-material. However, recent research has demonstrated that nanocellulose can be efficently produced in large volumes from wood at relatively low cost by the incorporation of ionizing radiation in the process stream. Ionizing radiation causes significant break down of the polysaccharides and leads to the production of potentially useful gaseous products such as H2 and CO. Ionizing radiation processing remains an open field, ripe for innovation and application. This presentation will review the strong collaboration between the National Institute of Standards and Technology (NIST) and its academic partners pursuing the demonstration of applied ionizing radiation processing to plant materials for the manufacturing and characterization of novel nanomaterials. PMID:29225398

Update on bio-refining and nanocellulose composite materials manufacturing

NASA Astrophysics Data System (ADS)

Postek, Michael T.; Poster, Dianne L.

2017-08-01

Nanocellulose is a high value material that has gained increasing attention because of its high strength, stiffness, unique photonic and piezoelectric properties, high stability and uniform structure. One of the factors limiting the potential of nanocellulose and the vast array of potential new products is the ability to produce high-volume quantities of this nano-material. However, recent research has demonstrated that nanocellulose can be efficently produced in large volumes from wood at relatively low cost by the incorporation of ionizing radiation in the process stream. Ionizing radiation causes significant break down of the polysaccharides and leads to the production of potentially useful gaseous products such as H2 and CO. Ionizing radiation processing remains an open field, ripe for innovation and application. This presentation will review the strong collaboration between the National Institute of Standards and Technology (NIST) and its academic partners pursuing the demonstration of applied ionizing radiation processing to plant materials for the manufacturing and characterization of novel nanomaterials.

Effects of neutral gas releases on electron beam injection from electrically tethered spacecraft

NASA Technical Reports Server (NTRS)

Winglee, R. M.

1990-01-01

The presence of high neutral densities at low altitudes and/or during thruster firings is known to modify the spacecraft potential during active electron beam injection. Two-dimensional (three velocity) particle simulations are used to investigate the ionization processes including the neutral density required, the modification of the spacecraft potential, beam profile and spatial distribution of the return current into the spacecraft. Three processes are identified: (1) beam-induced ionization, (2) vehicle-induced ionization, and (3) beam plasma discharge. Only in the first two cases does the beam propagate away with little distortion.

STORAGE RING CROSS SECTION MEASUREMENTS FOR ELECTRON IMPACT SINGLE AND DOUBLE IONIZATION OF Fe{sup 13+} AND SINGLE IONIZATION OF Fe{sup 16+} AND Fe{sup 17+}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hahn, M.; Novotny, O.; Savin, D. W.

2013-04-10

We report measurements of electron impact ionization for Fe{sup 13+}, Fe{sup 16+}, and Fe{sup 17+} over collision energies from below threshold to above 3000 eV. The ions were recirculated using an ion storage ring. Data were collected after a sufficiently long time that essentially all the ions had relaxed radiatively to their ground state. For single ionization of Fe{sup 13+}, we find that previous single pass experiments are more than 40% larger than our results. Compared to our work, the theoretical cross section recommended by Arnaud and Raymond is more than 30% larger, while that of Dere is about 20%more » greater. Much of the discrepancy with Dere is due to the theory overestimating the contribution of excitation-autoionization via n = 2 excitations. Double ionization of Fe{sup 13+} is dominated by direct ionization of an inner shell electron accompanied by autoionization of a second electron. Our results for single ionization of Fe{sup 16+} and Fe{sup 17+} agree with theoretical calculations to within the experimental uncertainties.« less

Comparison of Atmospheric Pressure Chemical Ionization and Field Ionization Mass Spectrometry for the Analysis of Large Saturated Hydrocarbons.

PubMed

Jin, Chunfen; Viidanoja, Jyrki; Li, Mingzhe; Zhang, Yuyang; Ikonen, Elias; Root, Andrew; Romanczyk, Mark; Manheim, Jeremy; Dziekonski, Eric; Kenttämaa, Hilkka I

2016-11-01

Direct infusion atmospheric pressure chemical ionization mass spectrometry (APCI-MS) was compared to field ionization mass spectrometry (FI-MS) for the determination of hydrocarbon class distributions in lubricant base oils. When positive ion mode APCI with oxygen as the ion source gas was employed to ionize saturated hydrocarbon model compounds (M) in hexane, only stable [M - H] + ions were produced. Ion-molecule reaction studies performed in a linear quadrupole ion trap suggested that fragment ions of ionized hexane can ionize saturated hydrocarbons via hydride abstraction with minimal fragmentation. Hence, APCI-MS shows potential as an alternative of FI-MS in lubricant base oil analysis. Indeed, the APCI-MS method gave similar average molecular weights and hydrocarbon class distributions as FI-MS for three lubricant base oils. However, the reproducibility of APCI-MS method was found to be substantially better than for FI-MS. The paraffinic content determined using the APCI-MS and FI-MS methods for the base oils was similar. The average number of carbons in paraffinic chains followed the same increasing trend from low viscosity to high viscosity base oils for the two methods.

Modeling the Enceladus Plasma and Neutral Torus in Saturn's Inner Magnetosphere

NASA Astrophysics Data System (ADS)

Jia, Yingdong; Russell, C. T.; Khurana, K. K.; Gombosi, T. I.

2010-10-01

Saturn's moon Enceladus, produces hundreds of kilograms of water vapor every second. These water molecules form a neutral torus which is comparable to the Io torus in the Jovian system. These molecules become ionized producing a plasma disk in the inner magnetosphere of Saturn which exchanges momentum with the "corotating” magnetospheric plasma. To balance the centripetal force of this plasma disk, Saturn's magnetic field is stretched in the radial direction and to accelerate the azimuthal speed to corotational values, the field is stretched in the azimuthal direction. At Enceladus the massive pickup of new ions from its plume slows down the corotating flow and breaks this force balance, causing plasma flows in the radial direction. Such radial flows in the inner magnetosphere of Saturn are supported by Cassini observations using various particle and field instruments. In this study we develop a global model of the inner magnetosphere of Saturn in an attempt to reproduce such processes.

Influence of the anisotropy on the performance of D-band SiC IMPATT diodes

NASA Astrophysics Data System (ADS)

Chen, Qing; Yang, Lin'an; Wang, Shulong; Zhang, Yue; Dai, Yang; Hao, Yue

2015-03-01

Numerical simulation has been made to predict the RF performance of <0001> direction and <> direction p+/n/n-/n+ (single drift region) 4H silicon carbide (4H-SiC) impact-ionization-avalanche-transit-time (IMPATT) diodes for operation at D-band frequencies. We observed that the output performance of 4H-SiC IMPATT diode is sensitive to the crystal direction of the one-dimensional current flow. The simulation results show that <0001> direction 4H-SiC IMPATT diode provides larger breakdown voltage for its lower electron and hole ionization rates and higher dc-to-rf conversion efficiency (η) for its higher ratio of drift zone voltage drop (VD) to breakdown voltage (VB) compared with those for <> direction 4H-SiC IMPATT diode, which lead to higher-millimeter-wave power output for <0001> direction 4H-SiC IMPATT compared to <> direction. However, the quality factor Q for the <> direction 4H-SiC IMPATT diode is lower than that of <0001> direction, which implies that the <> direction 4H-SiC IMPATT diode exhibits better stability and higher growth rate of microwave oscillation compared with <0001> direction 4H-SiC IMPATT diode.

Strong-field ionization of Li and Be: a time-dependent density functional theory with self-interaction correction

NASA Astrophysics Data System (ADS)

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

2011-11-01

In the framework of the time-dependent density functional theory, we have performed 3D calculations of multiphoton ionization of Li and Be atoms by strong near-infrared laser fields. The results for the intensity-dependent probabilities of single and double ionization are presented. We make use of the time-dependent Krieger-Li-Iafrate exchange-correlation potential with self-interaction correction (TD-KLI-SIC). Such a potential possesses an integer discontinuity which improves description of the ionization process. However, we have found that the discontinuity of the TD-KLI-SIC potential is not sufficient to reproduce characteristic feature of double ionization.

The relative abundances of Sn, Te, Xe, Ba and Ce. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Krombel, K. E.

1983-01-01

Elements with even atomic number (Z) in the interval 50 or = Z or = 58 were resolved in the cosmic radiation using the Heavy Nuclei Experiment on the HEAO-3 satellite. Their relative abundances were compared with the results expected from pure r-process material, pure s-process material, and solar system material, both with and without a modification due to possible first ionization potential effects. Such effects may be the result of the preferential acceleration, and hence enhancement in the cosmic rays, of those elements having low first ionization potentials. Measurements were found to be inconsistent with pure r-process material at the greater than 98% confidence level whether or not the first ionization potential adjustments are made.

Low-dose ionizing radiation limitations to seed germination: Results from a model linking physiological characteristics and developmental-dynamics simulation strategy.

PubMed

Liu, Hui; Hu, Dawei; Dong, Chen; Fu, Yuming; Liu, Guanghui; Qin, Youcai; Sun, Yi; Liu, Dianlei; Li, Lei; Liu, Hong

2017-08-01

There is much uncertainty about the risks of seed germination after repeated or protracted environmental low-dose ionizing radiation exposure. The purpose of this study is to explore the influence mechanism of low-dose ionizing radiation on wheat seed germination using a model linking physiological characteristics and developmental-dynamics simulation. A low-dose ionizing radiation environment simulator was built to investigate wheat (Triticum aestivum L.) seeds germination process and then a kinetic model expressing the relationship between wheat seed germination dynamics and low-dose ionizing radiation intensity variations was developed by experimental data, plant physiology, relevant hypotheses and system dynamics, and sufficiently validated and accredited by computer simulation. Germination percentages were showing no differences in response to different dose rates. However, root and shoot lengths were reduced significantly. Plasma governing equations were set up and the finite element analysis demonstrated H 2 O, CO 2 , O 2 as well as the seed physiological responses to the low-dose ionizing radiation. The kinetic model was highly valid, and simultaneously the related influence mechanism of low-dose ionizing radiation on wheat seed germination proposed in the modeling process was also adequately verified. Collectively these data demonstrate that low-dose ionizing radiation has an important effect on absorbing water, consuming O 2 and releasing CO 2 , which means the risk for embryo and endosperm development was higher. Copyright © 2017 Elsevier Ltd. All rights reserved.

3D Radiative Transfer in Eta Carinae: Application of the SimpleX Algorithm to 3D SPH Simulations of Binary Colliding Winds

NASA Technical Reports Server (NTRS)

Clementel, N.; Madura, T. I.; Kruip, C. J. H.; Icke, V.; Gull, T. R.

2014-01-01

Eta Carinae is an ideal astrophysical laboratory for studying massive binary interactions and evolution, and stellar wind-wind collisions. Recent three-dimensional (3D) simulations set the stage for understanding the highly complex 3D flows in Eta Car. Observations of different broad high- and low-ionization forbidden emission lines provide an excellent tool to constrain the orientation of the system, the primary's mass-loss rate, and the ionizing flux of the hot secondary. In this work we present the first steps towards generating synthetic observations to compare with available and future HST/STIS data. We present initial results from full 3D radiative transfer simulations of the interacting winds in Eta Car. We use the SimpleX algorithm to post-process the output from 3D SPH simulations and obtain the ionization fractions of hydrogen and helium assuming three different mass-loss rates for the primary star. The resultant ionization maps of both species constrain the regions where the observed forbidden emission lines can form. Including collisional ionization is necessary to achieve a better description of the ionization states, especially in the areas shielded from the secondary's radiation. We find that reducing the primary's mass-loss rate increases the volume of ionized gas, creating larger areas where the forbidden emission lines can form. We conclude that post processing 3D SPH data with SimpleX is a viable tool to create ionization maps for Eta Car.

3D Radiative Transfer in Eta Carinae: Application of the SimpleX Algorithm to 3D SPH Simulations of Binary Colliding Winds

NASA Technical Reports Server (NTRS)

Clementel, N.; Madura, T. I.; Kruip, C.J.H.; Icke, V.; Gull, T. R.

2014-01-01

Eta Carinae is an ideal astrophysical laboratory for studying massive binary interactions and evolution, and stellar wind-wind collisions. Recent three-dimensional (3D) simulations set the stage for understanding the highly complex 3D flows in eta Car. Observations of different broad high- and low-ionization forbidden emission lines provide an excellent tool to constrain the orientation of the system, the primary's mass-loss rate, and the ionizing flux of the hot secondary. In this work we present the first steps towards generating synthetic observations to compare with available and future HST/STIS data. We present initial results from full 3D radiative transfer simulations of the interacting winds in eta Car.We use the SimpleX algorithm to post-process the output from 3D SPH simulations and obtain the ionization fractions of hydrogen and helium assuming three different mass-loss rates for the primary star. The resultant ionization maps of both species constrain the regions where the observed forbidden emission lines can form. Including collisional ionization is necessary to achieve a better description of the ionization states, especially in the areas shielded from the secondary's radiation. We find that reducing the primary's mass-loss rate increases the volume of ionized gas, creating larger areas where the forbidden emission lines can form.We conclude that post processing 3D SPH data with SimpleX is a viable tool to create ionization maps for eta Car.

Dynamic target ionization using an ultrashort pulse of a laser field

NASA Astrophysics Data System (ADS)

Makarov, D. N.; Matveev, V. I.; Makarova, K. A.

2014-09-01

Ionization processes under the interaction of an ultrashort pulse of an electromagnetic field with atoms in nonstationary states are considered. As an example, the ionization probability of the hydrogen-like atom upon the decay of quasi-stationary state is calculated. The method developed can be applied to complex systems, including targets in collisional states and various chemical reactions.

Two years experience with quality assurance protocol for patient related Rapid Arc treatment plan verification using a two dimensional ionization chamber array

PubMed Central

2011-01-01

Purpose To verify the dose distribution and number of monitor units (MU) for dynamic treatment techniques like volumetric modulated single arc radiation therapy - Rapid Arc - each patient treatment plan has to be verified prior to the first treatment. The purpose of this study was to develop a patient related treatment plan verification protocol using a two dimensional ionization chamber array (MatriXX, IBA, Schwarzenbruck, Germany). Method Measurements were done to determine the dependence between response of 2D ionization chamber array, beam direction, and field size. Also the reproducibility of the measurements was checked. For the patient related verifications the original patient Rapid Arc treatment plan was projected on CT dataset of the MatriXX and the dose distribution was calculated. After irradiation of the Rapid Arc verification plans measured and calculated 2D dose distributions were compared using the gamma evaluation method implemented in the measuring software OmniPro (version 1.5, IBA, Schwarzenbruck, Germany). Results The dependence between response of 2D ionization chamber array, field size and beam direction has shown a passing rate of 99% for field sizes between 7 cm × 7 cm and 24 cm × 24 cm for measurements of single arc. For smaller and larger field sizes than 7 cm × 7 cm and 24 cm × 24 cm the passing rate was less than 99%. The reproducibility was within a passing rate of 99% and 100%. The accuracy of the whole process including the uncertainty of the measuring system, treatment planning system, linear accelerator and isocentric laser system in the treatment room was acceptable for treatment plan verification using gamma criteria of 3% and 3 mm, 2D global gamma index. Conclusion It was possible to verify the 2D dose distribution and MU of Rapid Arc treatment plans using the MatriXX. The use of the MatriXX for Rapid Arc treatment plan verification in clinical routine is reasonable. The passing rate should be 99% than the verification protocol is able to detect clinically significant errors. PMID:21342509

Ionization state and structure of l-1,2-dipalmitoylphosphatidylglycerol monolayers at the liquid/air interface.

PubMed

Maltseva, Elena; Shapovalov, Vladimir L; Möhwald, Helmuth; Brezesinski, Gerald

2006-01-19

Phosphatidylglycerols are components of biological membranes. The phase behavior of these phospholipids was extensively investigated. However, there is still no definite picture about the dependence of the ionization state and monolayer structure on subphase composition. The major problem of previous investigations is that none of the methods used allow obtaining the ionization degree directly. In the present work we apply techniques developed in the past decades for Langmuir monolayers: infrared reflection absorption spectroscopy (IRRAS) as well as X-ray diffraction and reflectivity techniques, which provide straightforward information about structure and ionization state of a L-1,2-dipalmitoylphosphatidylglycerol (DPPG) monolayer. The Gouy-Chapman model is applied to evaluate the intrinsic pKa. Therewith, the ionization degree can be determined even at low pH values. The experimental titration curves are in good agreement with theoretical curves based on the Gouy-Chapman model. The obtained instrinic pKa amounts to 1. The ionization degree of a DPPG monolayer is independent of the monovalent cation size. In contrast, the structure of a DPPG monolayer is strongly affected by the type of divalent cations.

Alkali metal cation complexation by 1,3-alternate, mono-ionisable calix[4]arene-benzocrown-6 compounds

DOE PAGES

Surowiec, Malgorzata A.; Custelcean, Radu; Surowiec, Kazimierz; ...

2014-04-23

Alkali metal cation extraction behavior for two series of 1,3-alternate, mono-ionizable calix[4]arene-benzocrown-6 compounds is examined. In Series 1, the proton-ionizable group is a substituent on the benzo group of the polyether ring that directs it away from the crown ether cavity. In Series 2, the proton-ionizable group is attached to one para position in the calixarene framework, thus positioning it over the crown ether ring. Competitive solvent extraction of alkali metal cations from aqueous solutions into chloroform shows high Cs+ efficiency and selectivity. Single-species extraction pH profiles of Cs+ for Series 1 and 2 ligands with the same proton-ionizable groupmore » are very similar. Thus, association of Cs+ with the calixcrown ring is more important than the the proton-ionizable group’s position in relation to the crown ether cavity. Solid-state structures are presented for two unionized ligands from Series 2, as is a crystal containing two different ionized ligand–Cs+ complexes.« less

Amonia gas: an improved reagent for chemical ionization mass spectrometry of bile acid methyl ester acetates

DOE Office of Scientific and Technical Information (OSTI.GOV)

DeMark, B.R.; Klein, P.D.

1981-01-01

The ammonia chemical ionization mass spectra of 28 methyl ester acetate derivatives of bile acids and related compounds have been determined by gas-liquid chromatography-mass spectrometry. Advantages of ammonia ionization over the previously studied isobutane ionization include a 130 to 270% enhancement in the sensitivity of base peak monitoring, and direct determination of molecular weight from the base peak (M + NH/sub 4//sup +/) in the mass spectrum of any of the derivatives. Minor ions in the ammonia spectra also allow selective detection of 3-keto compounds and can indicate unsaturation or double bond conjugation in the molecule. The significance of thesemore » studies for the detection and quantitation of bile acids is discussed. 2 tables.« less

Propagation of ultrashort laser pulses in optically ionized gases

NASA Astrophysics Data System (ADS)

Morozov, A.; Luo, Y.; Suckewer, S.; Gordon, D. F.; Sprangle, P.

2010-02-01

Propagation of 800 nm, 120 fs laser pulses with intensities of 4×1016 W/cm2 in supersonic gas jets of N2 and H2 is studied using a shear-type interferometer. The plasma density distribution resulting from photoionization is resolved in space and time with simultaneously measured initial neutral density distribution. A distinct difference in laser beam propagation distance is observed when comparing propagation in jets of H2 and N2. This is interpreted in terms of ionization induced refraction, which is stronger when electrons are produced from states of higher ionization potential. Three dimensional particle-in-cell simulations, based on directly solving the Maxwell-Lorentz system of equations, show the roles played by the forward Raman and ionization scattering instabilities, which further affect the propagation distance.

The SPES surface ionization source

NASA Astrophysics Data System (ADS)

Manzolaro, M.; D'Agostini, F.; Monetti, A.; Andrighetto, A.

2017-09-01

Ion sources and target systems play a crucial role in isotope separation on line facilities, determining the main characteristics of the radioactive ion beams available for experiments. In the context of the selective production of exotic species (SPES) facility, a 40 MeV, 200 μA proton beam directly impinges a uranium carbide target, generating approximately 1013 fissions per second. The radioactive isotopes produced by the 238U fissions are delivered to the 1+ ion source by means of a tubular transfer line. Here they can be ionized and subsequently accelerated toward the experimental areas. In this work, the characterization of the surface ionization source currently adopted for the SPES facility is presented, taking as a reference ionization efficiency and transversal emittance measurements. The effects of long term operation at high temperature are also illustrated and discussed.

Temporal characterization of plasma cw high-power CO2 laser-matter interaction: contribution to the welding process control

NASA Astrophysics Data System (ADS)

Engel, Thierry; Kane, M.; Fontaine, Joel

1997-08-01

During high-power laser welding, gas ionization occurs above the sample. The resulting plasma ignition threshold is related to ionization potential of metallic vapors from the sample, and shielding gases used in the process. In this work, we have characterized the temporal behavior of the radiation emitted by the plasma during laser welding in order to relate the observed signals to the process parameters.

Wave-packet continuum-discretization approach to ion-atom collisions including rearrangement: Application to differential ionization in proton-hydrogen scattering

NASA Astrophysics Data System (ADS)

Abdurakhmanov, I. B.; Bailey, J. J.; Kadyrov, A. S.; Bray, I.

2018-03-01

In this work, we develop a wave-packet continuum-discretization approach to ion-atom collisions that includes rearrangement processes. The total scattering wave function is expanded using a two-center basis built from wave-packet pseudostates. The exact three-body Schrödinger equation is converted into coupled-channel differential equations for time-dependent expansion coefficients. In the asymptotic region these time-dependent coefficients represent transition amplitudes for all processes including elastic scattering, excitation, ionization, and electron capture. The wave-packet continuum-discretization approach is ideal for differential ionization studies as it allows one to generate pseudostates with arbitrary energies and distribution. The approach is used to calculate the double differential cross section for ionization in proton collisions with atomic hydrogen. Overall good agreement with experiment is obtained for all considered cases.

The requirements for low-temperature plasma ionization support miniaturization of the ion source.

PubMed

Kiontke, Andreas; Holzer, Frank; Belder, Detlev; Birkemeyer, Claudia

2018-06-01

Ambient ionization mass spectrometry (AI-MS), the ionization of samples under ambient conditions, enables fast and simple analysis of samples without or with little sample preparation. Due to their simple construction and low resource consumption, plasma-based ionization methods in particular are considered ideal for use in mobile analytical devices. However, systematic investigations that have attempted to identify the optimal configuration of a plasma source to achieve the sensitive detection of target molecules are still rare. We therefore used a low-temperature plasma ionization (LTPI) source based on dielectric barrier discharge with helium employed as the process gas to identify the factors that most strongly influence the signal intensity in the mass spectrometry of species formed by plasma ionization. In this study, we investigated several construction-related parameters of the plasma source and found that a low wall thickness of the dielectric, a small outlet spacing, and a short distance between the plasma source and the MS inlet are needed to achieve optimal signal intensity with a process-gas flow rate of as little as 10 mL/min. In conclusion, this type of ion source is especially well suited for downscaling, which is usually required in mobile devices. Our results provide valuable insights into the LTPI mechanism; they reveal the potential to further improve its implementation and standardization for mobile mass spectrometry as well as our understanding of the requirements and selectivity of this technique. Graphical abstract Optimized parameters of a dielectric barrier discharge plasma for ionization in mass spectrometry. The electrode size, shape, and arrangement, the thickness of the dielectric, and distances between the plasma source, sample, and MS inlet are marked in red. The process gas (helium) flow is shown in black.

Solid-phase microextraction low temperature plasma mass spectrometry for the direct and rapid analysis of chemical warfare simulants in complex mixtures.

PubMed

Dumlao, Morphy C; Jeffress, Laura E; Gooding, J Justin; Donald, William A

2016-06-21

Solid-phase microextraction (SPME) is directly integrated with low temperature plasma ionisation mass spectrometry to rapidly detect organophosphate chemical warfare agent simulants and their hydrolysis products in chemical mixtures, including urine. In this sampling and ionization method, the fibre serves: (i) to extract molecules from their native environment, and (ii) as the ionization electrode that is used to desorb and ionize molecules directly from the SPME surface. By use of a custom fabricated SPME fibre consisting of a stainless steel needle coated with a Linde Type A (LTA) zeolitic microporous material and low temperature plasma mass spectrometry, protonated dimethyl methylphosphonate (DMMP), diethyl ethylphosphonate (DEEP) and pinacolyl methylphosphonic acid (PinMPA) can be detected at less than 100 ppb directly in water and urine. Organophosphates were not readily detected by this approach using an uncoated needle in negative control experiments. The use of the LTA coating significantly outperformed the use of a high alumina Zeolite Socony Mobil-5 (ZSM-5) coating of comparable thickness that is significantly less polar than LTA. By conditioning the LTA probe by immersion in an aqueous CuSO4 solution, the ion abundance for protonated DMMP increased by more than 300% compared to that obtained without any conditioning. Sample recovery values were between 96 and 100% for each analyte. The detection of chemical warfare agent analogues and hydrolysis products required less than 2 min per sample. A key advantage of this sampling and ionization method is that analyte ions can be directly and rapidly sampled from chemical mixtures, such as urine and seawater, without sample preparation or chromatography for sensitive detection by mass spectrometry. This ion source should prove beneficial for portable mass spectrometry applications because relatively low detection limits can be obtained without the use of compressed gases, fluid pumps, and lasers. Moreover, the ion source is compact, can be powered with a 10 V battery, and is tolerant of complex mixtures.

Heavy-ion induced single-event upset in integrated circuits

NASA Technical Reports Server (NTRS)

Zoutendyk, J. A.

1991-01-01

The cosmic ray environment in space can affect the operation of Integrated Circuit (IC) devices via the phenomenon of Single Event Upset (SEU). In particular, heavy ions passing through an IC can induce sufficient integrated current (charge) to alter the state of a bistable circuit, for example a memory cell. The SEU effect is studied in great detail in both static and dynamic memory devices, as well as microprocessors fabricated from bipolar, Complementary Metal Oxide Semiconductor (CMOS) and N channel Metal Oxide Semiconductor (NMOS) technologies. Each device/process reflects its individual characteristics (minimum scale geometry/process parameters) via a unique response to the direct ionization of electron hole pairs by heavy ion tracks. A summary of these analytical and experimental SEU investigations is presented.

Tracing kinematic (mis)alignments in CALIFA merging galaxies. Stellar and ionized gas kinematic orientations at every merger stage

NASA Astrophysics Data System (ADS)

Barrera-Ballesteros, J. K.; García-Lorenzo, B.; Falcón-Barroso, J.; van de Ven, G.; Lyubenova, M.; Wild, V.; Méndez-Abreu, J.; Sánchez, S. F.; Marquez, I.; Masegosa, J.; Monreal-Ibero, A.; Ziegler, B.; del Olmo, A.; Verdes-Montenegro, L.; García-Benito, R.; Husemann, B.; Mast, D.; Kehrig, C.; Iglesias-Paramo, J.; Marino, R. A.; Aguerri, J. A. L.; Walcher, C. J.; Vílchez, J. M.; Bomans, D. J.; Cortijo-Ferrero, C.; González Delgado, R. M.; Bland-Hawthorn, J.; McIntosh, D. H.; Bekeraitė, S.

2015-10-01

We present spatially resolved stellar and/or ionized gas kinematic properties for a sample of 103 interacting galaxies, tracing all merger stages: close companions, pairs with morphological signatures of interaction, and coalesced merger remnants. In order to distinguish kinematic properties caused by a merger event from those driven by internal processes, we compare our galaxies with a control sample of 80 non-interacting galaxies. We measure for both the stellar and the ionized gas components the major (projected) kinematic position angles (PAkin, approaching and receding) directly from the velocity distributions with no assumptions on the internal motions. This method also allow us to derive the deviations of the kinematic PAs from a straight line (δPAkin). We find that around half of the interacting objects show morpho-kinematic PA misalignments that cannot be found in the control sample. In particular, we observe those misalignments in galaxies with morphological signatures of interaction. On the other hand, thelevel of alignment between the approaching and receding sides for both samples is similar, with most of the galaxies displaying small misalignments. Radial deviations of the kinematic PA orientation from a straight line in the stellar component measured by δPAkin are large for both samples. However, for a large fraction of interacting galaxies the ionized gas δPAkin is larger than the typical values derived from isolated galaxies (48%), indicating that this parameter is a good indicator to trace the impact of interaction and mergers in the internal motions of galaxies. By comparing the stellar and ionized gas kinematic PA, we find that 42% (28/66) of the interacting galaxies have misalignments larger than 16°, compared to 10% from the control sample. Our results show the impact of interactions in the motion of stellar and ionized gas as well as the wide the variety of their spatially resolved kinematic distributions. This study also provides a local Universe benchmark for kinematic studies in merging galaxies at high redshift. Appendices are available in electronic form at http://www.aanda.org

Dynamical orientation effects in atomic ionization by impact of protons and positrons

NASA Astrophysics Data System (ADS)

Fregenal, Daniel; Barrachina, Raúl; Bernardi, Guillermo; Suárez, Sergio; Fiol, Juan

2011-10-01

Recent results in ionization collisions with positrons and protons showed that just above the two-body threshold, for electron velocities close to the final projectile's velocity, the electron-projectile continuum dipole is narrowly oriented along the direction of motion of its centre-of-mass, with the negative charge pointing towards the residual target. Although a forward-backward asymmetry in the vicinity of the two-body threshold has been studied many year ago in ion impact ionization collisions, that was by far a much milder effect that left no fingerprint on the cusp position. Our results show that the phenomena is present for ionization by impact of both protons and positrons. In this communication, through measurements on H+ + He and calculations we analyze in detail this effect that can be linked to a dynamical alignment of the two-body subsystem in the continuum. Recent results in ionization collisions with positrons and protons showed that just above the two-body threshold, for electron velocities close to the final projectile's velocity, the electron-projectile continuum dipole is narrowly oriented along the direction of motion of its centre-of-mass, with the negative charge pointing towards the residual target. Although a forward-backward asymmetry in the vicinity of the two-body threshold has been studied many year ago in ion impact ionization collisions, that was by far a much milder effect that left no fingerprint on the cusp position. Our results show that the phenomena is present for ionization by impact of both protons and positrons. In this communication, through measurements on H+ + He and calculations we analyze in detail this effect that can be linked to a dynamical alignment of the two-body subsystem in the continuum. This work was partially supported by the Consejo Nacional de Investigaciones Cientificas y Tecnicas, Universidad Nacional de Cuyo and Fundacion Balseiro.

Lattice Boltzmann method for weakly ionized isothermal plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li Huayu; Ki, Hyungson

2007-12-15

In this paper, a lattice Boltzmann method (LBM) for weakly ionized isothermal plasmas is presented by introducing a rescaling scheme for the Boltzmann transport equation. Without using this rescaling, we found that the nondimensional relaxation time used in the LBM is too large and the LBM does not produce physically realistic results. The developed model was applied to the electrostatic wave problem and the diffusion process of singly ionized helium plasmas with a 1-3% degree of ionization under an electric field. The obtained results agree well with theoretical values.

Particle-in-cell simulations of the critical ionization velocity effect in finite size clouds

NASA Technical Reports Server (NTRS)

Moghaddam-Taaheri, E.; Lu, G.; Goertz, C. K.; Nishikawa, K. - I.

1994-01-01

The critical ionization velocity (CIV) mechanism in a finite size cloud is studied with a series of electrostatic particle-in-cell simulations. It is observed that an initial seed ionization, produced by non-CIV mechanisms, generates a cross-field ion beam which excites a modified beam-plasma instability (MBPI) with frequency in the range of the lower hybrid frequency. The excited waves accelerate electrons along the magnetic field up to the ion drift energy that exceeds the ionization energy of the neutral atoms. The heated electrons in turn enhance the ion beam by electron-neutral impact ionization, which establishes a positive feedback loop in maintaining the CIV process. It is also found that the efficiency of the CIV mechanism depends on the finite size of the gas cloud in the following ways: (1) Along the ambient magnetic field the finite size of the cloud, L (sub parallel), restricts the growth of the fastest growing mode, with a wavelength lambda (sub m parallel), of the MBPI. The parallel electron heating at wave saturation scales approximately as (L (sub parallel)/lambda (sub m parallel)) (exp 1/2); (2) Momentum coupling between the cloud and the ambient plasma via the Alfven waves occurs as a result of the finite size of the cloud in the direction perpendicular to both the ambient magnetic field and the neutral drift. This reduces exponentially with time the relative drift between the ambient plasma and the neutrals. The timescale is inversely proportional to the Alfven velocity. (3) The transvers e charge separation field across the cloud was found to result in the modulation of the beam velocity which reduces the parallel heating of electrons and increases the transverse acceleration of electrons. (4) Some energetic electrons are lost from the cloud along the magnetic field at a rate characterized by the acoustic velocity, instead of the electron thermal velocity. The loss of energetic electrons from the cloud seems to be larger in the direction of plasma drift relative to the neutrals, where the loss rate is characterized by the neutral drift velocity. It is also shown that a factor of 4 increase in the ambient plasma density, increases the CIV ionization yield by almost 2 orders of magnitude at the end of a typical run. It is concluded that a larger ambient plasma density can result in a larger CIV yield because of (1) larger seed ion production by non-CIV mechanisms, (2) smaller Alfven velocity and hence weak momentum coupling, and (3) smaller ratio of the ion beam density to the ambient ion density, and therefore a weaker modulation of the beam velocity. The simulation results are used to interpret various chemical release experiments in space.

Performance of 20:1 multiplexer for large area charge readouts in directional dark matter TPC detectors

NASA Astrophysics Data System (ADS)

Ezeribe, A. C.; Robinson, M.; Robinson, N.; Scarff, A.; Spooner, N. J. C.; Yuriev, L.

2018-02-01

More target mass is required in current TPC based directional dark matter detectors for improved detector sensitivity. This can be achieved by scaling up the detector volumes, but this results in the need for more analogue signal channels. A possible solution to reducing the overall cost of the charge readout electronics is to multiplex the signal readout channels. Here, we present a multiplexer system in expanded mode based on LMH6574 chips produced by Texas Instruments, originally designed for video processing. The setup has a capability of reducing the number of readouts in such TPC detectors by a factor of 20. Results indicate that the important charge distribution asymmetry along an ionization track is retained after multiplexed signals are demultiplexed.

VUV PHOTO-PROCESSING OF PAH CATIONS: QUANTITATIVE STUDY ON THE IONIZATION VERSUS FRAGMENTATION PROCESSES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhen, Junfeng; Castillo, Sarah Rodriguez; Joblin, Christine

2016-05-10

Interstellar polycyclic aromatic hydrocarbons (PAHs) are strongly affected by the absorption of vacuum ultraviolet (VUV) photons in the interstellar medium (ISM), yet the branching ratio between ionization and fragmentation is poorly studied. This is crucial for the stability and charge state of PAHs in the ISM in different environments, affecting in turn the chemistry, the energy balance, and the contribution of PAHs to the extinction and emission curves. We studied the interaction of PAH cations with VUV photons in the 7–20 eV range from the synchrotron SOLEIL beamline, DESIRS. We recorded by action spectroscopy the relative intensities of photo-fragmentation andmore » photo-ionization for a set of eight PAH cations ranging in size from 14 to 24 carbon atoms, with different structures. At photon energies below ∼13.6 eV fragmentation dominates for the smaller species, while for larger species ionization is immediately competitive after the second ionization potential (IP). At higher photon energies all species behave similarly; the ionization yield gradually increases, leveling off between 0.8 and 0.9 at ∼18 eV. Among isomers, PAH structure appears to mainly affect the fragmentation cross section but not the ionization cross section. We also measured the second IP for all species and the third IP for two of them; all are in good agreement with theoretical ones, confirming that PAH cations can be further ionized in the diffuse ISM. Determining actual PAH dication abundances in the ISM will require detailed modeling. Our measured photo-ionization yields for several PAH cations provide a necessary ingredient for such models.« less

Sensing circuits for multiwire proportional chambers

NASA Technical Reports Server (NTRS)

Peterson, H. T.; Worley, E. R.

1977-01-01

Integrated sensing circuits were designed, fabricated, and packaged for use in determining the direction and fluence of ionizing radiation passing through a multiwire proportional chamber. CMOS on sapphire was selected because of its high speed and low power capabilities. The design of the proposed circuits is described and the results of computer simulations are presented. The fabrication processes for the CMOS on sapphire sensing circuits and hybrid substrates are outlined. Several design options are described and the cost implications of each discussed. To be most effective, each chip should handle not more than 32 inputs, and should be mounted on its own hybrid substrate.

Reactive collisions of electrons with H2+ , HD+, BeH+, BeD+ and SH+

NASA Astrophysics Data System (ADS)

Pop, Nicolina; Iacob, Felix; Mezei, János Zsolt; Motapon, Ousmanou; Niyonzima, Sebastien; Kashinski, David O.; Talbi, Dahbia; Hickman, Albert Peet; Schneider, Ioan F.

2017-12-01

In numerous cold ionized gases the dissociative recombination (DR), the elastic collisions (EC), the vibrational excitation (VE) (inelastic collisions) and the vibrational de-excitation (VdE) (super-elastic collisions) of molecular cations with electrons are major elementary processes. Using a stepwise method based on the Multichannel Quantum Defect Theory (MQDT), cross sections and rate coefficients have been obtained for reactions induced on HD+, H2+, BeH+, BeD+ and SH+. Moreover, the relative importance of the different reaction mechanisms, direct vs. indirect and rotational vs. non-rotational, have been studied for these molecular systems.

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.

Bactericidal effects of negative air ions on airborne and surface Salmonella enteritidis from an artificially generated aerosol.

PubMed

Seo, K H; Mitchell, B W; Holt, P S; Gast, R K

2001-01-01

The bactericidal effect of high levels of negative ions was studied using a custom-built electrostatic space charge device. To investigate whether the ion-enriched air exerted a bactericidal effect, an aerosol containing Salmonella Enteritidis (SE) was pumped into a sealed plastic chamber. Plates of XLT4 agar were attached to the walls, top, and bottom of the chamber and exposed to the aerosol for 3 h with and without the ionizer treatment. The plates were then removed from the chamber, incubated at 37 degrees C for 24 h, and colonies were counted. An average of greater than 10(3) CFU/plate were observed on plates exposed to the aerosol without the ionizer treatment (control) compared with an average of less than 53 CFU/plate on the ionizer-treated plates. In another series of experiments, the SE aerosol was pumped for 3 h into an empty chamber containing only the ionizer and allowed to collect on the internal surfaces. The inside surfaces of the chamber were then rinsed with 100 ml phosphate-buffered saline that was then plated onto XLT4 plates. While the rinse from the control chamber contained colony counts greater than 400 CFU/ml of wash, no colonies were found in the rinse from the ionizer-treatment chamber. These results indicate that high levels of negative air ions can have a significant impact on the airborne microbial load, and that most of this effect is through direct killing of the organisms. This technology, which also causes significant reduction in airborne dust, has already been successfully applied for poultry hatching cabinets and caged layer rooms. Other potential applications include any enclosed space such as food processing areas, medical institutions, the workplace, and the home, where reduction of airborne and surface pathogens is desired.

Fully coupled simulation of cosmic reionization. I. numerical methods and tests

DOE PAGES

Norman, Michael L.; Reynolds, Daniel R.; So, Geoffrey C.; ...

2015-01-09

Here, we describe an extension of the Enzo code to enable fully coupled radiation hydrodynamical simulation of inhomogeneous reionization in large similar to(100 Mpc)(3) cosmological volumes with thousands to millions of point sources. We solve all dynamical, radiative transfer, thermal, and ionization processes self-consistently on the same mesh, as opposed to a postprocessing approach which coarse-grains the radiative transfer. But, we employ a simple subgrid model for star formation which we calibrate to observations. The numerical method presented is a modification of an earlier method presented in Reynolds et al. differing principally in the operator splitting algorithm we use tomore » advance the system of equations. Radiation transport is done in the gray flux-limited diffusion (FLD) approximation, which is solved by implicit time integration split off from the gas energy and ionization equations, which are solved separately. This results in a faster and more robust scheme for cosmological applications compared to the earlier method. The FLD equation is solved using the hypre optimally scalable geometric multigrid solver from LLNL. By treating the ionizing radiation as a grid field as opposed to rays, our method is scalable with respect to the number of ionizing sources, limited only by the parallel scaling properties of the radiation solver. We test the speed and accuracy of our approach on a number of standard verification and validation tests. We show by direct comparison with Enzo's adaptive ray tracing method Moray that the well-known inability of FLD to cast a shadow behind opaque clouds has a minor effect on the evolution of ionized volume and mass fractions in a reionization simulation validation test. Finally, we illustrate an application of our method to the problem of inhomogeneous reionization in a 80 Mpc comoving box resolved with 3200(3) Eulerian grid cells and dark matter particles.« less

Photoelectron imaging of doped helium nanodroplets

NASA Astrophysics Data System (ADS)

Neumark, Daniel

2008-03-01

Photoelectron images of helium nanodroplets doped with Kr and Ne atoms are reported. The images and resulting photoelectron spectra were obtained using tunable synchrotron radiation to ionize the droplets. Droplets were excited at 21.6 eV, corresponding to a strong droplet electronic excitation. The rare gas dopant is then ionized via a Penning excitation transfer process. The electron kinetic energy distributions reflect complex ionization and electron escape dynamics.

Development of a new protocol for rapid bacterial identification and susceptibility testing directly from urine samples.

PubMed

Zboromyrska, Y; Rubio, E; Alejo, I; Vergara, A; Mons, A; Campo, I; Bosch, J; Marco, F; Vila, J

2016-06-01

The current gold standard method for the diagnosis of urinary tract infections (UTI) is urine culture that requires 18-48 h for the identification of the causative microorganisms and an additional 24 h until the results of antimicrobial susceptibility testing (AST) are available. The aim of this study was to shorten the time of urine sample processing by a combination of flow cytometry for screening and matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS) for bacterial identification followed by AST directly from urine. The study was divided into two parts. During the first part, 675 urine samples were processed by a flow cytometry device and a cut-off value of bacterial count was determined to select samples for direct identification by MALDI-TOF-MS at ≥5 × 10(6) bacteria/mL. During the second part, 163 of 1029 processed samples reached the cut-off value. The sample preparation protocol for direct identification included two centrifugation and two washing steps. Direct AST was performed by the disc diffusion method if a reliable direct identification was obtained. Direct MALDI-TOF-MS identification was performed in 140 urine samples; 125 of the samples were positive by urine culture, 12 were contaminated and 3 were negative. Reliable direct identification was obtained in 108 (86.4%) of the 125 positive samples. AST was performed in 102 identified samples, and the results were fully concordant with the routine method among 83 monomicrobial infections. In conclusion, the turnaround time of the protocol described to diagnose UTI was about 1 h for microbial identification and 18-24 h for AST. Copyright © 2016 European Society of Clinical Microbiology and Infectious Diseases. Published by Elsevier Ltd. All rights reserved.

Fundamental Studies of Molecular Secondary Ion Mass Spectrometry Ionization Probability Measured With Femtosecond, Infrared Laser Post-Ionization

NASA Astrophysics Data System (ADS)

Popczun, Nicholas James

The work presented in this dissertation is focused on increasing the fundamental understanding of molecular secondary ion mass spectrometry (SIMS) ionization probability by measuring neutral molecule behavior with femtosecond, mid-infrared laser post-ionization (LPI). To accomplish this, a model system was designed with a homogeneous organic film comprised of coronene, a polycyclic hydrocarbon which provides substantial LPI signal. Careful consideration was given to signal lost to photofragmentation and undersampling of the sputtered plume that is contained within the extraction volume of the mass spectrometer. This study provided the first ionization probability for an organic compound measured directly by the relative secondary ions and sputtered neutral molecules using a strong-field ionization (SFI) ionization method. The measured value of ˜10-3 is near the upper limit of previous estimations of ionization probability for organic molecules. The measurement method was refined, and then applied to a homogeneous guanine film, which produces protonated secondary ions. This measurement found the probability of protonation to occur to be on the order of 10-3, although with less uncertainty than that of the coronene. Finally, molecular depth profiles were obtained for SIMS and LPI signals as a function of primary ion fluence to determine the effect of ionization probability on the depth resolution of chemical interfaces. The interfaces chosen were organic/inorganic interfaces to limit chemical mixing. It is shown that approaching the inorganic chemical interface can enhance or suppress the ionization probability for the organic molecule, which can lead to artificially sharpened or broadened depths, respectively. Overall, the research described in this dissertation provides new methods for measuring ionization efficiency in SIMS in both absolute and relative terms, and will inform both innovation in the technique, as well as increase understanding of depth-dependent experiments.

Mass spectrometry imaging for visualizing organic analytes in food.

PubMed

Handberg, Eric; Chingin, Konstantin; Wang, Nannan; Dai, Ximo; Chen, Huanwen

2015-01-01

The demand for rapid chemical imaging of food products steadily increases. Mass spectrometry (MS) is featured by excellent molecular specificity of analysis and is, therefore, a very attractive method for chemical profiling. MS for food imaging has increased significantly over the past decade, aided by the emergence of various ambient ionization techniques that allow direct and rapid analysis in ambient environment. In this article, the current status of food imaging with MSI is reviewed. The described approaches include matrix-assisted laser desorption/ionization (MALDI), but emphasize desorption atmospheric pressure photoionization (DAPPI), electrospray-assisted laser desorption/ionization (ELDI), probe electrospray ionization (PESI), surface desorption atmospheric pressure chemical ionization (SDAPCI), and laser ablation flowing atmospheric pressure afterglow (LA-FAPA). The methods are compared with regard to spatial resolution; analysis speed and time; limit of detection; and technical aspects. The performance of each method is illustrated with the description of a related application. Specific requirements in food imaging are discussed. © 2014 Wiley Periodicals, Inc.

Nanostructured solid substrates for efficient laser desorption/ionization mass spectrometry (LDI-MS) of low molecular weight compounds.

PubMed

Silina, Yuliya E; Volmer, Dietrich A

2013-12-07

Analytical applications often require rapid measurement of compounds from complex sample mixtures. High-speed mass spectrometry approaches frequently utilize techniques based on direct ionization of the sample by laser irradiation, mostly by means of matrix-assisted laser desorption/ionization (MALDI). Compounds of low molecular weight are difficult to analyze by MALDI, however, because of severe interferences in the low m/z range from the organic matrix used for desorption/ionization. In recent years, surface-assisted laser desorption/ionization (SALDI) techniques have shown promise for small molecule analysis, due to the unique properties of nanostructured surfaces, in particular, the lack of a chemical background in the low m/z range and enhanced production of analyte ions by SALDI. This short review article presents a summary of the most promising recent developments in SALDI materials for MS analysis of low molecular weight analytes, with emphasis on nanostructured materials based on metals and semiconductors.

Hydrodynamic model for expansion and collisional relaxation of x-ray laser-excited multi-component nanoplasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saxena, Vikrant, E-mail: vikrant.saxena@desy.de; Hamburg Center for Ultrafast Imaging, Luruper Chaussee 149, 22761 Hamburg; Ziaja, Beata, E-mail: ziaja@mail.desy.de

The irradiation of an atomic cluster with a femtosecond x-ray free-electron laser pulse results in a nanoplasma formation. This typically occurs within a few hundred femtoseconds. By this time the x-ray pulse is over, and the direct photoinduced processes no longer contributing. All created electrons within the nanoplasma are thermalized. The nanoplasma thus formed is a mixture of atoms, electrons, and ions of various charges. While expanding, it is undergoing electron impact ionization and three-body recombination. Below we present a hydrodynamic model to describe the dynamics of such multi-component nanoplasmas. The model equations are derived by taking the moments ofmore » the corresponding Boltzmann kinetic equations. We include the equations obtained, together with the source terms due to electron impact ionization and three-body recombination, in our hydrodynamic solver. Model predictions for a test case, expanding spherical Ar nanoplasma, are obtained. With this model, we complete the two-step approach to simulate x-ray created nanoplasmas, enabling computationally efficient simulations of their picosecond dynamics. Moreover, the hydrodynamic framework including collisional processes can be easily extended for other source terms and then applied to follow relaxation of any finite non-isothermal multi-component nanoplasma with its components relaxed into local thermodynamic equilibrium.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Yang; Li, Si-Yu; Li, Yong-Ping

The study of reionization history plays an important role in understanding the evolution of our universe. It is commonly believed that the intergalactic medium (IGM) in our universe are fully ionized today, however the reionizing process remains to be mysterious. A simple instantaneous reionization process is usually adopted in modern cosmology without direct observational evidence. However, the history of ionization fraction, x{sub e}(z) will influence CMB observables and constraints on optical depth τ. With the mocked future data sets based on featured reionization model, we find the bias on τ introduced by instantaneous model can not be neglected. In thismore » paper, we study the cosmic reionization history in a model independent way, the so called principle component analysis (PCA) method, and reconstruct x{sub e} (z) at different redshift z with the data sets of Planck, WMAP 9 years temperature and polarization power spectra, combining with the baryon acoustic oscillation (BAO) from galaxy survey and type Ia supernovae (SN) Union 2.1 sample respectively. The results show that reconstructed x{sub e}(z) is consistent with instantaneous behavior, however, there exists slight deviation from this behavior at some epoch. With PCA method, after abandoning the noisy modes, we get stronger constraints, and the hints for featured x{sub e}(z) evolution could become a little more obvious.« less

Direct Visualization of Neurotransmitters in Rat Brain Slices by Desorption Electrospray Ionization Mass Spectrometry Imaging (DESI - MS)

NASA Astrophysics Data System (ADS)

Fernandes, Anna Maria A. P.; Vendramini, Pedro H.; Galaverna, Renan; Schwab, Nicolas V.; Alberici, Luciane C.; Augusti, Rodinei; Castilho, Roger F.; Eberlin, Marcos N.

2016-12-01

Mass spectrometry imaging (MSI) of neurotransmitters has so far been mainly performed by matrix-assisted laser desorption/ionization (MALDI) where derivatization reagents, deuterated matrix and/or high resolution, or tandem MS have been applied to circumvent problems with interfering ion peaks from matrix and from isobaric species. We herein describe the application of desorption electrospray ionization mass spectrometry imaging (DESI)-MSI in rat brain coronal and sagittal slices for direct spatial monitoring of neurotransmitters and choline with no need of derivatization reagents and/or deuterated materials. The amino acids γ-aminobutyric (GABA), glutamate, aspartate, serine, as well as acetylcholine, dopamine, and choline were successfully imaged using a commercial DESI source coupled to a hybrid quadrupole-Orbitrap mass spectrometer. The spatial distribution of the analyzed compounds in different brain regions was determined. We conclude that the ambient matrix-free DESI-MSI is suitable for neurotransmitter imaging and could be applied in studies that involve evaluation of imbalances in neurotransmitters levels.

Repair of oxidative DNA damage by amino acids.

PubMed

Milligan, J R; Aguilera, J A; Ly, A; Tran, N Q; Hoang, O; Ward, J F

2003-11-01

Guanyl radicals, the product of the removal of a single electron from guanine, are produced in DNA by the direct effect of ionizing radiation. We have produced guanyl radicals in DNA by using the single electron oxidizing agent (SCN)2-, itself derived from the indirect effect of ionizing radiation via thiocyanate scavenging of OH. We have examined the reactivity of guanyl radicals in plasmid DNA with the six most easily oxidized amino acids cysteine, cystine, histidine, methionine, tryptophan and tyrosine and also simple ester and amide derivatives of them. Cystine and histidine derivatives are unreactive. Cysteine, methionine, tyrosine and particularly tryptophan derivatives react to repair guanyl radicals in plasmid DNA with rate constants in the region of approximately 10(5), 10(5), 10(6) and 10(7) dm3 mol(-1) s(-1), respectively. The implication is that amino acid residues in DNA binding proteins such as histones might be able to repair by an electron transfer reaction the DNA damage produced by the direct effect of ionizing radiation or by other oxidative insults.

Transmission geometry laserspray ionization vacuum using an atmospheric pressure inlet.

PubMed

Lutomski, Corinne A; El-Baba, Tarick J; Inutan, Ellen D; Manly, Cory D; Wager-Miller, James; Mackie, Ken; Trimpin, Sarah

2014-07-01

This represents the first report of laserspray ionization vacuum (LSIV) with operation directly from atmospheric pressure for use in mass spectrometry. Two different types of electrospray ionization source inlets were converted to LSIV sources by equipping the entrance of the atmospheric pressure inlet aperture with a customized cone that is sealed with a removable glass plate holding the matrix/analyte sample. A laser aligned in transmission geometry (at 180° relative to the inlet) ablates the matrix/analyte sample deposited on the vacuum side of the glass slide. Laser ablation from vacuum requires lower inlet temperature relative to laser ablation at atmospheric pressure. However, higher inlet temperature is required for high-mass analytes, for example, α-chymotrypsinogen (25.6 kDa). Labile compounds such as gangliosides and cardiolipins are detected in the negative ion mode directly from mouse brain tissue as intact doubly deprotonated ions. Multiple charging enhances the ion mobility spectrometry separation of ions derived from complex tissue samples.

Transmission Geometry Laserspray Ionization Vacuum Using an Atmospheric Pressure Inlet

PubMed Central

2015-01-01

This represents the first report of laserspray ionization vacuum (LSIV) with operation directly from atmospheric pressure for use in mass spectrometry. Two different types of electrospray ionization source inlets were converted to LSIV sources by equipping the entrance of the atmospheric pressure inlet aperture with a customized cone that is sealed with a removable glass plate holding the matrix/analyte sample. A laser aligned in transmission geometry (at 180° relative to the inlet) ablates the matrix/analyte sample deposited on the vacuum side of the glass slide. Laser ablation from vacuum requires lower inlet temperature relative to laser ablation at atmospheric pressure. However, higher inlet temperature is required for high-mass analytes, for example, α-chymotrypsinogen (25.6 kDa). Labile compounds such as gangliosides and cardiolipins are detected in the negative ion mode directly from mouse brain tissue as intact doubly deprotonated ions. Multiple charging enhances the ion mobility spectrometry separation of ions derived from complex tissue samples. PMID:24896880

Analysis of the cyanolichen Lichina pygmaea metabolites using in situ DART-MS: from detection to thermochemistry of mycosporine serinol.

PubMed

Le Pogam, Pierre; Legouin, Béatrice; Le Lamer, Anne-Cécile; Boustie, Joël; Rondeau, David

2015-03-01

Direct Analysis in Real Time DART-HRMS is here first applied to the detection of molecules from a lichen, Lichina pygmaea. The aim was to propose an innovative method of in situ detection of lichen secondary metabolites using the possibilities of elemental composition determination available when a DART source is interfaced with a TOF analyzer. Three kinds of samples have been submitted to DART ionization, i.e. an intact thallus, a powder obtained from the crushed lichen and an aqueous extract. In situ analysis of crushed lichen, yields an extensive chemical profile, comparable to what is obtained from the aqueous extract, comprising both major polar metabolites described in literature along with some other signals that could correspond to potentially unknown metabolites. One of the detected secondary metabolites, mycosporine serinol, underwent a dehydration reaction prior to its transfer in the gas-phase by DART ionization. The consideration of the thermal transfers involved in the DART ionization process and the possibility to record time-dependent mass spectra through the use of the TOF analyzer allowed establishing Arrhenius plots of this water molecule loss to obtain associated thermodynamic quantities. The low values of corresponding activation enthalpy (Δr‡Hm° of the order of 25 kJ mol(-1)) enabled formulating some assumption regarding a possible role of such metabolites in the lichen. Copyright © 2015 John Wiley & Sons, Ltd.

Mass Spectrometry in the Home and Garden

NASA Astrophysics Data System (ADS)

Pulliam, Christopher J.; Bain, Ryan M.; Wiley, Joshua S.; Ouyang, Zheng; Cooks, R. Graham

2015-02-01

Identification of active components in a variety of chemical products used directly by consumers is described at both trace and bulk levels using mass spectrometry. The combination of external ambient ionization with a portable mass spectrometer capable of tandem mass spectrometry provides high chemical specificity and sensitivity as well as allowing on-site monitoring. These experiments were done using a custom-built portable ion trap mass spectrometer in combination with the ambient ionization methods of paper spray, leaf spray, and low temperature plasma ionization. Bactericides, garden chemicals, air fresheners, and other products were examined. Herbicide applied to suburban lawns was detected in situ on single leaves 5 d after application.

NEUTRON COUNTER

DOEpatents

Curtis, C.D.; Carlson, R.L.; Tubinis, M.P.

1958-07-29

An ionization chamber instrument is described for cylindrical electrodes with an ionizing gag filling the channber. The inner electrode is held in place by a hermetic insulating seal at one end of the outer electrode, the other end of the outer electrode being closed by a gas filling tube. The outer surface of the inner electrode is coated with an active material which is responsive to neutron bombardment, such as uranium235 or boron-10, to produce ionizing radiations in the gas. The transverse cross sectional area of the inner electrode is small in relation to that of the channber whereby substantially all of the radiations are directed toward the outer electrode.

Monte Carlo model for the analysis and development of III-V Tunnel-FETs and Impact Ionization-MOSFETs

NASA Astrophysics Data System (ADS)

Talbo, V.; Mateos, J.; González, T.; Lechaux, Y.; Wichmann, N.; Bollaert, S.; Vasallo, B. G.

2015-10-01

Impact-ionization metal-oxide-semiconductor FETs (I-MOSFETs) are in competition with tunnel FETs (TFETs) in order to achieve the best behaviour for low power logic circuits. Concretely, III-V I-MOSFETs are being explored as promising devices due to the proper reliability, since the impact ionization events happen away from the gate oxide, and the high cutoff frequency, due to high electron mobility. To facilitate the design process from the physical point of view, a Monte Carlo (MC) model which includes both impact ionization and band-to-band tunnel is presented. Two ungated InGaAs and InAlAs/InGaAs 100 nm PIN diodes have been simulated. In both devices, the tunnel processes are more frequent than impact ionizations, so that they are found to be appropriate for TFET structures and not for I- MOSFETs. According to our simulations, other narrow bandgap candidates for the III-V heterostructure, such as InAs or GaSb, and/or PININ structures must be considered for a correct I-MOSFET design.

Demonstration of self-truncated ionization injection for GeV electron beams

PubMed Central

Mirzaie, M.; Li, S.; Zeng, M.; Hafz, N. A. M.; Chen, M.; Li, G. Y.; Zhu, Q. J.; Liao, H.; Sokollik, T.; Liu, F.; Ma, Y. Y.; Chen, L.M.; Sheng, Z. M.; Zhang, J.

2015-01-01

Ionization-induced injection mechanism was introduced in 2010 to reduce the laser intensity threshold for controllable electron trapping in laser wakefield accelerators (LWFA). However, usually it generates electron beams with continuous energy spectra. Subsequently, a dual-stage target separating the injection and acceleration processes was regarded as essential to achieve narrow energy-spread electron beams by ionization injection. Recently, we numerically proposed a self-truncation scenario of the ionization injection process based upon overshooting of the laser-focusing in plasma which can reduce the electron injection length down to a few hundred micrometers, leading to accelerated beams with extremely low energy-spread in a single-stage. Here, using 100 TW-class laser pulses we report experimental observations of this injection scenario in centimeter-long plasma leading to the generation of narrow energy-spread GeV electron beams, demonstrating its robustness and scalability. Compared with the self-injection and dual-stage schemes, the self-truncated ionization injection generates higher-quality electron beams at lower intensities and densities, and is therefore promising for practical applications. PMID:26423136

IslandFAST: A Semi-numerical Tool for Simulating the Late Epoch of Reionization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Yidong; Chen, Xuelei; Yue, Bin

2017-08-01

We present the algorithm and main results of our semi-numerical simulation, islandFAST, which was developed from 21cmFAST and designed for the late stage of reionization. The islandFAST simulation predicts the evolution and size distribution of the large-scale underdense neutral regions (neutral islands), and we find that the late Epoch of Reionization proceeds very fast, showing a characteristic scale of the neutral islands at each redshift. Using islandFAST, we compare the impact of two types of absorption systems, i.e., the large-scale underdense neutral islands versus small-scale overdense absorbers, in regulating the reionization process. The neutral islands dominate the morphology of themore » ionization field, while the small-scale absorbers dominate the mean-free path of ionizing photons, and also delay and prolong the reionization process. With our semi-numerical simulation, the evolution of the ionizing background can be derived self-consistently given a model for the small absorbers. The hydrogen ionization rate of the ionizing background is reduced by an order of magnitude in the presence of dense absorbers.« less

Observation of ionization enhancement in two-color circularly polarized laser fields

NASA Astrophysics Data System (ADS)

Mancuso, Christopher A.; Dorney, Kevin M.; Hickstein, Daniel D.; Chaloupka, Jan L.; Tong, Xiao-Min; Ellis, Jennifer L.; Kapteyn, Henry C.; Murnane, Margaret M.

2017-08-01

When atoms are irradiated by two-color circularly polarized laser fields the resulting strong-field processes are dramatically different than when the same atoms are irradiated by a single-color ultrafast laser. For example, electrons can be driven in complex two-dimensional trajectories before rescattering or circularly polarized high harmonics can be generated, which was once thought impossible. Here, we show that two-color circularly polarized lasers also enable control over the ionization process itself and make a surprising finding: the ionization rate can be enhanced by up to 700 % simply by switching the relative helicity of the two-color circularly polarized laser field. This enhancement is experimentally observed in helium, argon, and krypton over a wide range of intensity ratios of the two-color field. We use a combination of advanced quantum and fully classical calculations to explain this ionization enhancement as resulting in part due to the increased density of excited states available for resonance-enhanced ionization in counter-rotating fields compared with co-rotating fields. In the future, this effect could be used to probe the excited state manifold of complex molecules.

Fine- and hyperfine-structure effects in molecular photoionization. II. Resonance-enhanced multiphoton ionization and hyperfine-selective generation of molecular cations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Germann, Matthias; Willitsch, Stefan, E-mail: stefan.willitsch@unibas.ch

2016-07-28

Resonance-enhanced multiphoton ionization (REMPI) is a widely used technique for studying molecular photoionization and producing molecular cations for spectroscopy and dynamics studies. Here, we present a model for describing hyperfine-structure effects in the REMPI process and for predicting hyperfine populations in molecular ions produced by this method. This model is a generalization of our model for fine- and hyperfine-structure effects in one-photon ionization of molecules presented in Paper I [M. Germann and S. Willitsch, J. Chem. Phys. 145, 044314 (2016)]. This generalization is achieved by covering two main aspects: (1) treatment of the neutral bound-bound transition including the hyperfine structuremore » that makes up the first step of the REMPI process and (2) modification of our ionization model to account for anisotropic populations resulting from this first excitation step. Our findings may be used for analyzing results from experiments with molecular ions produced by REMPI and may serve as a theoretical background for hyperfine-selective ionization experiments.« less

Unprecedented Ionization Processes in Mass Spectrometry Provide Missing Link between ESI and MALDI.

PubMed

Trimpin, Sarah; Lee, Chuping; Weidner, Steffen M; El-Baba, Tarick J; Lutomski, Corinne A; Inutan, Ellen D; Foley, Casey D; Ni, Chi-Kung; McEwen, Charles N

2018-03-05

In the field of mass spectrometry, producing intact, highly-charged protein ions from surfaces is a conundrum with significant potential payoff in application areas ranging from biomedical to clinical research. Here, we report on the ability to form intact, highly-charged protein ions on high vacuum time-of-flight mass spectrometers in the linear and reflectron modes achievable using experimental conditions that allow effective matrix removal from both the sample surfaces and from the charged clusters formed by the laser ablation event. The charge states are the highest reported on high vacuum mass spectrometers, yet they remain at only around a third of the highest charge obtained using laser ablation with a suitable matrix at atmospheric pressure. Other than physical instrument modifications, the key to forming abundant and stable highly-charged ions appears to be the volatility of the matrix used. Cumulative results suggest mechanistic links between the ionization process reported here and traditional ionization methods of electrospray ionization and matrix-assisted laser desorption/ionization. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Laser Optogalvanic Spectroscopy pf Neon and Argon in a Discharge Plasma and its Significance for Microgravity Combustion

NASA Technical Reports Server (NTRS)

Misra, Prabhakar; Haridass, C.; Major, H.

1999-01-01

A detailed study of combustion mechanisms in flames, employing laser-based diagnostics, has provided good knowledge and understanding of the physical phenomena, and led to better characterization of the dynamical and chemical combustion processes, both under low-gravity (in space) and normal gravity (in ground based facilities, e.g. drop towers). Laser induced fluorescence (LIF), laser-induced incandescence (LII) and LIF thermometry have been widely used to perform nonintrusive measurements and to better understand combustion phenomena. Laser optogalvanic (LOG) spectroscopy has well-established applications in ion mobility measurements, atomic and molecular spectroscopy, ionization rates, recombination rates, velocity measurements and as a combustion probe for trace element detection. Absorption spectra of atomic and molecular species in flames can be obtained via LOG spectroscopy by measuring the voltage and current changes induced by laser irradiation. There are different kinds of processes that contribute to a discharge current, namely: (1) electron impact ionization, (2) collisions among the excited atoms of the discharge species and (3) Penning ionization. In general, at higher discharge currents, the mechanism of electron impact ionization dominates over Penning ionization, whereby the latter is hardly noticeable. In a plasma, whenever the wavelength of a laser coincides with the absorption of an atomic or molecular species, the rate of ionization of the species momentarily increases or decreases due to laser-assisted acceleration of collisional ionization. Such a rate of change in the ionization is monitored as a variation in the transient current by inserting a high voltage electrode into the plasma. Optogalvanic spectroscopy in discharges has been useful for characterizing laser line-widths and for providing convenient calibration lines for tunable dye lasers in the ultraviolet, visible and infrared wavelength regions. Different kinds of quantitative information, such as the electron collisional ionization rate, can be extracted from the complex processes occurring within the discharge. In the optogalvanic effect (OGE), there is no problem of overlap from background emissions, and hence even weak signals can be detected with a high signal-to-noise ratio, which makes the optogalvanic effect sensitive enough to resolve vibrational changes in molecular bonds and differences in energy levels brought about by different electron spins. For calibration purposes, neon and argon gaseous discharges have been employed most extensively, because these gases are commonly used as buffer gases within hollow-cathode lamps and provide an acceptable density of calibration lines. In the present work, our main aim has been to understand the dominant physical processes responsible for the production of the OGE signal, based on the extensive time resolved optogalvanic waveforms recorded, and also to extract quantitative information on the rates of excited state collisional processes.

Experimental Resonance Enhanced Multiphoton Ionization (REMPI) studies of small molecules

NASA Technical Reports Server (NTRS)

Dehmer, J. L.; Dehmer, P. M.; Pratt, S. T.; Ohalloran, M. A.; Tomkins, F. S.

1987-01-01

Resonance enhanced multiphoton ionization (REMPI) utilizes tunable dye lasers to ionize an atom or molecule by first preparing an excited state by multiphoton absorption and then ionizing that state before it can decay. This process is highly selective with respect to both the initial and resonant intermediate states of the target, and it can be extremely sensitive. In addition, the products of the REMPI process can be detected as needed by analyzing the resulting electrons, ions, fluorescence, or by additional REMPI. This points to a number of exciting opportunities for both basic and applied science. On the applied side, REMPI has great potential as an ultrasensitive, highly selective detector for trace, reactive, or transient species. On the basic side, REMPI affords an unprecedented means of exploring excited state physics and chemistry at the quantum-state-specific level. An overview of current studies of excited molecular states is given to illustrate the principles and prospects of REMPI.

Two competing ionization processes in ESI-MS analysis of N-(1,3-diphenylallyl)benzenamines: formation of the unusual [M-H]+ ion versus the regular [M+H]+ ion.

PubMed

Fang, Liwen; Dong, Cheng; Guo, Cheng; Xu, Jianxing; Liu, Qiaoling; Qu, Zhirong; Jiang, Kezhi

2018-06-01

A series of N-(1,3-diphenylallyl)benzenamine derivatives (M) were investigated by electrospray ionization mass spectrometry in the positive-ion mode. Both the anomalous [M-H] + and the regular [M+H] + were observed in the ESI mass spectra. The occurrence of [M-H] + has been supported by accurate mass spectrometry, liquid chromatography mass spectrometry, and tandem mass spectrometry analysis. Calculation results indicated that formation of [M-H] + is attributed to the ion-molecule reaction of M with the protonated ESI solvent molecule (e.g. CH 3 OH 2 + ) via hydride abstraction from a tertiary C sp3 -H. The competing ionization processes leading to [M-H] + or [M+H] + were significantly affected by the concentration of formic acid in the electrospray ionization solvent and the proton affinity of the N atom.

The ionization parameter of star-forming galaxies evolves with the specific star formation rate

NASA Astrophysics Data System (ADS)

Kaasinen, Melanie; Kewley, Lisa; Bian, Fuyan; Groves, Brent; Kashino, Daichi; Silverman, John; Kartaltepe, Jeyhan

2018-07-01

We investigate the evolution of the ionization parameter of star-forming galaxies using a high-redshift (z˜ 1.5) sample from the FMOS-COSMOS (Fibre Multi-Object Spectrograph-COSMic evOlution Survey) and matched low-redshift samples from the Sloan Digital Sky Survey. By constructing samples of low-redshift galaxies for which the stellar mass (M*), star formation rate (SFR), and specific star formation rate (sSFR) are matched to the high-redshift sample, we remove the effects of an evolution in these properties. We also account for the effect of metallicity by jointly constraining the metallicity and ionization parameter of each sample. We find an evolution in the ionization parameter for main-sequence, star-forming galaxies and show that this evolution is driven by the evolution of sSFR. By analysing the matched samples as well as a larger sample of z< 0.3, star-forming galaxies we show that high ionization parameters are directly linked to high sSFRs and are not simply the by-product of an evolution in metallicity. Our results are physically consistent with the definition of the ionization parameter, a measure of the hydrogen ionizing photon flux relative to the number density of hydrogen atoms.

A simple resonance enhanced laser ionization scheme for CO via the A1Π state

NASA Astrophysics Data System (ADS)

Sun, Z. F.; von Zastrow, A. D.; Parker, D. H.

2017-07-01

We investigate the laser ionization process taking place when the CO molecule is exposed to vacuum ultraviolet (VUV) radiation resonant with the CO A1Π (v = 0) ← X1Σ+ (v = 0) transition around 154 nm, along with the ultraviolet (UV) and visible (Red) radiation used to generate VUV by four-wave difference-frequency mixing. By measuring the CO+ ion recoil and a room temperature gas spectrum, it is possible to assign the ionization process as 1 + 1' + 1'' REMPI where the one-photon steps refer to the VUV, UV, and Red radiation, respectively. Resonance enhanced ionization of rotational states around J = 12 arise due to the overlap of the fixed wavelength UV (˜250 nm) with the R band-head of a transition assigned to CO E1Π (v = 6) ← A1Π (v = 0) with a term value of 104 787.5 cm-1. The REMPI process is efficient and polarization sensitive and should be useful in a wide range of studies involving nascent CO.

Numerical Analysis on Non-Equilibrium Mechanism of Laser-Supported Detonation Wave Using Multiply-Charged Ionization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shiraishi, Hiroyuki

Laser-Supported Detonation (LSD), one type of Laser-Supported Plasma (LSP), is considered as the most important phenomena because it can generate high pressure and high temperature for laser absorption. In this study, I have numerically simulated the 1-D LSD waves propagating through a helium gas, in which Multiply-charged ionization model is considered for describing an accurate ionization process.

The ArDM experiment

DOE PAGES

Harańczyk, M.; Amsler, C.; Badertscher, A.; ...

2010-08-24

The aim of the ArDM project is the development and operation of a one ton double-phase liquid argon detector for direct Dark Matter searches. The detector measures both the scintillation light and the ionization charge from ionizing radiation using two independent readout systems. This paper briefly describes the detector concept and presents preliminary results from the ArDM R & D program, including a 3 l prototype developed to test the charge readout system.

Cosmic ray experimental observations

NASA Technical Reports Server (NTRS)

Balasubrahmanyan, V. K.; Mcdonald, F. B.

1974-01-01

The current experimental situation in cosmic ray studies is discussed, with special emphasis on the development of new detector systems. Topics covered are the techniques for particle identification, energy measurements, gas Cerenkov counters, magnet spectrometers, ionization spectrometers, track detectors, nuclear emulsions, multiparameter analysis using arrays of detectors, the Goddard ionization spectrometer, charge spectra, relative abundances, isotope composition, antinuclei in cosmic rays, electrons, the measurement of cosmic ray arrival directions, and the prehistory of cosmic rays.

INVESTIGATION OF DENSITY EFFECT IN SOLIDS AND GASES.

DTIC Science & Technology

electron-positron pair production by 150 MeV electrons. (5) Investiga tion of the density effect in C, Al, Fe, Cu, Ni, Ag, Ta, and Au. (Author)...This report describes the results obtained for the following experiments: (1) The pressure dependence of ionization by relativistic elec trons. (2...Ionization by relativistic particles in helium-hydrogen gas mixtures. (3) Investiga tion of the operation of secondary emission monitors. (4) Direct

Direct Standard-Free Quantitation of Tamiflu® and Other Pharmaceutical Tablets using Clustering Agents with Electrospray Ionization Mass Spectrometry

PubMed Central

Flick, Tawnya G.; Leib, Ryan D.; Williams, Evan R.

2010-01-01

Accurate and rapid quantitation is advantageous to identify counterfeit and substandard pharmaceutical drugs. A standard-free electrospray ionization mass spectrometry method is used to directly determine the dosage in the prescription and over-the-counter drugs, Tamiflu®, Sudafed®, and Dramamine®. A tablet of each drug was dissolved in aqueous solution, filtered, and introduced into solutions containing a known concentration of either L-tryptophan, L-phenylalanine or prednisone as clustering agents. The active ingredient(s) incorporates statistically into large clusters of the clustering agent where effects of differential ionization/detection are substantially reduced. From the abundances of large clusters, the dosages of the active ingredients in each of the tablets were determined to typically better than 20% accuracy even when the ionization/detection efficiency of the individual components differed by over 100×. Although this unorthodox method for quantitation is not as accurate as using conventional standards, it has the advantages that it is fast, it can be applied to mixtures where the identities of the analytes are unknown, and it can be used when suitable standards may not be readily available, such as schedule I or II controlled substances or new designer drugs that have not previously been identified. PMID:20092258

Ambient mass spectrometry: Direct analysis of dimethoate, tebuconazole, and trifloxystrobin on olive and vine leaves by desorption electrospray ionization interface.

PubMed

Mainero Rocca, Lucia; Cecca, Juri; L'Episcopo, Nunziata; Fabrizi, Giovanni

2017-11-01

A new field of application for a relatively new mass-spectrometric interface such as desorption electrospray ionization was evaluated. For this purpose, its behavior was tested versus quantitative analysis of dimethoate, trifloxystrobin, and tebuconazole directly on olive and vine leaves surface. The goal was workers exposure assessment during field re-entry operations since evidence suggests an association between chronic occupational exposure to some agrochemicals and severe adverse effects. Desorption electrospray ionization gave good response working in positive ionization mode, while numerous test were necessary for the choice of a unique blend of spray solvents suitable for all 3 substances. The best compromise, in terms of signal to noise ratios, was obtained with the CH 3 OH/H 2 O (80:20) mixture. The obvious difficulties related to the impossibility to use the internal standard were overcome through an accurate validation. Limits of detection and quantitation, dynamic ranges, matrix effects, and intraday precisions were calculated, and a small monitoring campaign was arranged to test method applicability and to evaluate potential dermal exposure. This protocol was developed in work safety field, but after a brief investigation, it was find to be suitable also for food residue evaluation. Copyright © 2017 John Wiley & Sons, Ltd.

Headspace analysis of volatile organic compounds from ethanolic systems by direct APCI-MS

NASA Astrophysics Data System (ADS)

Aznar, Margarita; Tsachaki, Maroussa; Linforth, Robert S. T.; Ferreira, Vicente; Taylor, Andrew J.

2004-12-01

Measuring the dynamic release of aroma compounds from ethanolic solutions by direct gas phase mass spectrometry (MS) techniques is an important technique for flavor chemists but presents technical difficulties as the changing ethanol concentration in the source makes quantitative measurements impossible. The effect of adding ethanol into the source via the sweep gas (0-565 [mu]L ethanol/L N2), to act as the proton transfer reagent ion and thereby control ionization was studied. With increasing concentrations of ethanol in the source, the water ions were replaced by ethanol ions above 3.2 [mu]L/L. The effect of source ethanol on the ionization of eleven aroma compounds was then measured. Some compounds showed reduced signal (10-40%), others increased signal (150-400%) when ionized via ethanol reagent ions compared to water reagent ions. Noise also increased in most cases so there was no overall increase in sensitivity. Providing the ethanol concentration in the source was >6.5 [mu]L/L N2 and maintained at a fixed value, ionization was consistent and quantitative. The technique was successfully applied to measure the partition of the test volatile compounds from aqueous and 12% ethanol solutions at equilibrium. Ethanolic solutions decreased the partition coefficient of most of the aroma compounds, as a function of hydrophobicity.