New experimental measurements of electron clouds in ion beams with large tune depression

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

Molvik, A W; Covo, M K; Cohen, R H

We study electron clouds in high perveance beams (K = 8E-4) with a large tune depression of 0.2 (defined as the ratio of a single particle oscillation response to the applied focusing fields, with and without space charge). These 1 MeV, 180 mA, K+ beams have a beam potential of +2 kV when electron clouds are minimized. Simulation results are discussed in a companion paper [J-L. Vay, this Conference]. We have developed the first diagnostics that quantitatively measure the accumulation of electrons in a beam [1]. This, together with measurements of electron sources, will enable the electron particle balance tomore » be measured, and electron-trapping efficiencies determined. We, along with colleagues from GSI and CERN, have also measured the scaling of gas desorption with beam energy and dE/dx [2]. Experiments where the heavy-ion beam is transported with solenoid magnetic fields, rather than with quadrupole magnetic or electrostatic fields, are being initiated. We will discuss initial results from experiments using electrode sets (in the middle and at the ends of magnets) to either expel or to trap electrons within the magnets. We observe electron oscillations in the last quadrupole magnet when we flood the beam with electrons from an end wall. These oscillations, of order 10 MHz, are observed to grow from the center of the magnet while drifting upstream against the beam, in good agreement with simulations.« less

Manufacturing a thin wire electrostatic trap for ultracold polar molecules.

PubMed

Kleinert, J; Haimberger, C; Zabawa, P J; Bigelow, N P

2007-11-01

We present a detailed description on how to build a thin wire electrostatic trap (TWIST) for ultracold polar molecules. It is the first design of an electrostatic trap that can be superimposed directly onto a magneto-optical trap (MOT). We can thus continuously produce ultracold polar molecules via photoassociation from a two species MOT and instantaneously trap them in the TWIST without the need for complex transfer schemes. Despite the spatial overlap of the TWIST and the MOT, the two traps can be operated and optimized completely independently due to the complementary nature of the utilized trapping mechanisms.

Source-to-accelerator quadrupole matching section for a compact linear accelerator

NASA Astrophysics Data System (ADS)

Seidl, P. A.; Persaud, A.; Ghiorso, W.; Ji, Q.; Waldron, W. L.; Lal, A.; Vinayakumar, K. B.; Schenkel, T.

2018-05-01

Recently, we presented a new approach for a compact radio-frequency (RF) accelerator structure and demonstrated the functionality of the individual components: acceleration units and focusing elements. In this paper, we combine these units to form a working accelerator structure: a matching section between the ion source extraction grids and the RF-acceleration unit and electrostatic focusing quadrupoles between successive acceleration units. The matching section consists of six electrostatic quadrupoles (ESQs) fabricated using 3D-printing techniques. The matching section enables us to capture more beam current and to match the beam envelope to conditions for stable transport in an acceleration lattice. We present data from an integrated accelerator consisting of the source, matching section, and an ESQ doublet sandwiched between two RF-acceleration units.

Squeezed coherent states of motion for ions confined in quadrupole and octupole ion traps

NASA Astrophysics Data System (ADS)

Mihalcea, Bogdan M.

2018-01-01

Quasiclassical dynamics of trapped ions is characterized by applying the time dependent variational principle (TDVP) on coherent state orbits, in case of quadrupole and octupole combined (Paul and Penning) or radiofrequency (RF) traps. A dequantization algorithm is proposed, by which the classical Hamilton (energy) function associated to the system results as the expectation value of the quantum Hamiltonian on squeezed coherent states. We develop such method and particularize the quantum Hamiltonian for both combined and RF nonlinear traps, that exhibit axial symmetry. We also build the classical Hamiltonian functions for the particular traps we considered, and find the classical equations of motion.

Photopolymerization Of Levitated Droplets

NASA Technical Reports Server (NTRS)

Rembaum, Alan; Rhim, Won-Kyu; Hyson, Michael T.; Chang, Manchium

1989-01-01

Experimental containerless process combines two established techniques to make variety of polymeric microspheres. In single step, electrostatically-levitated monomer droplets polymerized by ultraviolet light. Faster than multiple-step emulsion polymerization process used to make microspheres. Droplets suspended in cylindrical quadrupole electrostatic levitator. Alternating electrostatic field produces dynamic potential along axis. Process enables tailoring of microspheres for medical, scientific, and industrial applications.

A versatile electrostatic trap with open optical access

NASA Astrophysics Data System (ADS)

Li, Sheng-Qiang; Yin, Jian-Ping

2018-04-01

A versatile electrostatic trap with open optical access for cold polar molecules in weak-field-seeking state is proposed in this paper. The trap is composed of a pair of disk electrodes and a hexapole. With the help of a finite element software, the spatial distribution of the electrostatic field is calculated. The results indicate that a three-dimensional closed electrostatic trap is formed. Taking ND3 molecules as an example, the dynamic process of loading and trapping is simulated. The results show that when the velocity of the molecular beam is 10 m/s and the loading time is 0.9964 ms, the maximum loading efficiency reaches 94.25% and the temperature of the trapped molecules reaches about 30.3 mK. A single well can be split into two wells, which is of significant importance to the precision measurement and interference of matter waves. This scheme, in addition, can be further miniaturized to construct one-dimensional, two-dimensional, and three-dimensional spatial electrostatic lattices.

Paul Trap Simulator Experiment (PTSX) to simulate intense beam propagation through a periodic focusing quadrupole field

NASA Astrophysics Data System (ADS)

Davidson, Ronald C.; Efthimion, Philip C.; Gilson, Erik; Majeski, Richard; Qin, Hong

2002-01-01

The Paul Trap Simulator Experiment (PTSX) is under construction at the Princeton Plasma Physics Laboratory to simulate intense beam propagation through a periodic quadrupole magnetic field. In the Paul trap configuration, a long nonneutral plasma column is confined axially by dc voltages on end cylinders at z=+L and z=-L, and transverse confinement is provided by segmented cylindrical electrodes with applied oscillatory voltages ±V0(t) over 90° segments. Because the transverse focusing force is similar in waveform to that produced by a discrete set of periodic quadrupole magnets in a frame moving with the beam, the Paul trap configuration offers the possibility of simulating intense beam propagation in a compact laboratory facility. The experimental layout is described, together with the planned experiments to study beam mismatch, envelope instabilities, halo particle production, and collective wave excitations.

Correlation between y-type ions observed in ion trap and triple quadrupole mass spectrometers.

PubMed

Sherwood, Carly A; Eastham, Ashley; Lee, Lik Wee; Risler, Jenni; Vitek, Olga; Martin, Daniel B

2009-09-01

Multiple reaction monitoring mass spectrometry (MRM-MS) is a technique for high-sensitivity targeted analysis. In proteomics, MRM-MS can be used to monitor and quantify a peptide based on the production of expected fragment peaks from the selected peptide precursor ion. The choice of which fragment ions to monitor in order to achieve maximum sensitivity in MRM-MS can potentially be guided by existing MS/MS spectra. However, because the majority of discovery experiments are performed on ion trap platforms, there is concern in the field regarding the generalizability of these spectra to MRM-MS on a triple quadrupole instrument. In light of this concern, many operators perform an optimization step to determine the most intense fragments for a target peptide on a triple quadrupole mass spectrometer. We have addressed this issue by targeting, on a triple quadrupole, the top six y-ion peaks from ion trap-derived consensus library spectra for 258 doubly charged peptides from three different sample sets and quantifying the observed elution curves. This analysis revealed a strong correlation between the y-ion peak rank order and relative intensity across platforms. This suggests that y-type ions obtained from ion trap-based library spectra are well-suited for generating MRM-MS assays for triple quadrupoles and that optimization is not required for each target peptide.

Mass resolution of linear quadrupole ion traps with round rods.

PubMed

Douglas, D J; Konenkov, N V

2014-11-15

Auxiliary dipole excitation is widely used to eject ions from linear radio-frequency quadrupole ion traps for mass analysis. Linear quadrupoles are often constructed with round rod electrodes. The higher multipoles introduced to the electric potential by round rods might be expected to change the ion ejection process. We have therefore investigated the optimum ratio of rod radius, r, to field radius, r0, for excitation and ejection of ions. Trajectory calculations are used to determine the excitation contour, S(q), the fraction of ions ejected when trapped at q values close to the ejection (or excitation) q. Initial conditions are randomly selected from Gaussian distributions of the x and y coordinates and a thermal distribution of velocities. The N = 6 (12 pole) and N = 10 (20 pole) multipoles are added to the quadrupole potential. Peak shapes and resolution were calculated for ratios r/r0 from 1.09 to 1.20 with an excitation time of 1000 cycles of the trapping radio-frequency. Ratios r/r0 in the range 1.140 to 1.160 give the highest resolution and peaks with little tailing. Ratios outside this range give lower resolution and peaks with tails on either the low-mass side or the high-mass side of the peaks. This contrasts with the optimum ratio of 1.126-1.130 for a quadrupole mass filter operated conventionally at the tip of the first stability region. With the optimum geometry the resolution is 2.7 times greater than with an ideal quadrupole field. Adding only a 2.0% hexapole field to a quadrupole field increases the resolution by a factor of 1.6 compared with an ideal quadrupole field. Addition of a 2.0% octopole lowers resolution and degrades peak shape. With the optimum value of r/r0 , the resolution increases with the ejection time (measured in cycles of the trapping rf, n) approximately as R0.5 = 6.64n, in contrast to a pure quadrupole field where R0.5 = 1.94n. Adding weak nonlinear fields to a quadrupole field can improve the resolution with mass-selective ejection of ions by up to a factor of 2.7. The optimum ratio r/r0 is 1.14 to 1.16, which differs from the optimum ratio for a mass filter of 1.128-1.130. Copyright © 2014 John Wiley & Sons, Ltd.

An Einzel lens apparatus for deposition of levitated graphene on a substrate in UHV

NASA Astrophysics Data System (ADS)

Coppock, Joyce; Nagornykh, Pavel; McAdams, Ian; Kane, Bruce

The goal of our research is to levitate a charged micron-scale graphene flake in an electrical AC quadrupole trap in ultra-high vacuum (UHV) in order to study its properties and dynamics while decoupled from any substrate. As a complement to the optical measurements that can be performed on the levitated flake, we are developing a method of depositing the same flake on a substrate, which can be removed from the system for further study using such probes as atomic force microscopy (AFM) and scanning tunneling microscopy (STM). As the flake is released from the trap and propelled toward the substrate, its trajectory will be controlled by an Einzel (electrostatic) lens to achieve accurate positioning on the substrate. This talk will discuss the design of the lens as well as particle tracing simulations to determine the proper lens voltage to focus the particle's trajectory. In the future, deposited graphene may be used to passivate H-terminated silicon. The method is expected to be generalizable to achieve deposition of 2D materials on surfaces in a clean UHV environment.

Dynamics of vortex quadrupoles in nonrotating trapped Bose-Einstein condensates.

PubMed

Yang, Tao; Hu, Zhi-Qiang; Zou, Shan; Liu, Wu-Ming

2016-07-28

Dynamics of vortex clusters is essential for understanding diverse superfluid phenomena. In this paper, we examine the dynamics of vortex quadrupoles in a trapped two-dimensional (2D) Bose-Einstein condensate. We find that the movement of these vortex-clusters fall into three distinct regimes which are fully described by the radial positions of the vortices in a 2D isotropic harmonic trap, or by the major radius (minor radius) of the elliptical equipotential lines decided by the vortex positions in a 2D anisotropic harmonic trap. In the "recombination" and "exchange" regimes the quadrupole structure maintains, while the vortices annihilate each other permanently in the "annihilation" regime. We find that the mechanism of the charge flipping in the "exchange" regime and the disappearance of the quadrupole structure in the "annihilation" regime are both through an intermediate state where two vortex dipoles connected through a soliton ring. We give the parameter ranges for these three regimes in coordinate space for a specific initial configuration and phase diagram of the vortex positions with respect to the Thomas-Fermi radius of the condensate. We show that the results are also applicable to systems with quantum fluctuations for the short-time evolution.

Means and method for the focusing and acceleration of parallel beams of charged particles

DOEpatents

Maschke, Alfred W.

1983-07-05

A novel apparatus and method for focussing beams of charged particles comprising planar arrays of electrostatic quadrupoles. The quadrupole arrays may comprise electrodes which are shared by two or more quadrupoles. Such quadrupole arrays are particularly adapted to providing strong focussing forces for high current, high brightness, beams of charged particles, said beams further comprising a plurality of parallel beams, or beamlets, each such beamlet being focussed by one quadrupole of the array. Such arrays may be incorporated in various devices wherein beams of charged particles are accelerated or transported, such as linear accelerators, klystron tubes, beam transport lines, etc.

Control of Screening of a Charged Particle in Electrolytic Aqueous Paul Trap

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

Park, Jae Hyun nmn; Krstic, Predrag S

2011-01-01

Individual charged particles could be trapped and confined in the combined radio-frequency and DC quadrupole electric field of an aqueous Paul trap. Viscosity of water improves confinement and extends the range of the trap parameters which characterize the stability of the trap. Electrolyte, if present in aqueous solution, may screen the charged particle and thus partially or fully suppress electrophoretic interaction with the applied filed, possibly reducing it to a generally much weaker dielectrophoretic interaction with an induced dipole. Applying molecular dynamics simulation we show that the quadrupole field has a different affects at the electrolyte ions and at muchmore » heavier charged particle, effectively eliminating the screening effect and reinstating the electrophoretic confinement.« less

Control Of Screening Of A Charged Particle In Electrolytic Aqueous Paul Trap

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

Park, Jae Hyun; Krstic, Predrag S.

2011-06-01

Individual charged particles could be trapped and confined by the combined radio-frequency and DC quadrupole electric field of an aqueous Paul trap. Viscosity of water improves confinement and extends the range of the trap parameters which characterize the stability of the trap. Electrolyte, if present in aqueous solution, may screen the charged particle and thus partially or fully suppress electrophoretic interaction with the applied filed, possibly reducing it to a generally much weaker dielectrophoretic interaction with an induced dipole. Applying molecular dynamics simulation we show that the quadrupole field has a different effect at the electrolyte ions and at muchmore » heavier charged particle, effectively eliminating the screening by electrolyte ions and reinstating the electrophoretic confinement.« less

Suppressing Loss of Ions in an Atomic Clock

NASA Technical Reports Server (NTRS)

Prestage, John; Chung, Sang

2010-01-01

An improvement has been made in the design of a compact, highly stable mercury- ion clock to suppress a loss of ions as they are transferred between the quadrupole and higher multipole ion traps. Such clocks are being developed for use aboard spacecraft for navigation and planetary radio science. The modification is also applicable to ion clocks operating on Earth: indeed, the success of the modification has been demonstrated in construction and operation of a terrestrial breadboard prototype of the compact, highly stable mercury-ion clock. Selected aspects of the breadboard prototype at different stages of development were described in previous NASA Tech Briefs articles. The following background information is reviewed from previous articles: In this clock as in some prior ion clocks, mercury ions are shuttled between two ion traps, one a 16- pole linear radio-frequency trap, while the other is a quadrupole radio-frequency trap. In the quadrupole trap, ions are tightly confined and optical state selection from a 202Hg lamp is carried out. In the 16-pole trap, the ions are more loosely confined and atomic transitions are interrogated by use of a microwave beam at approximately 40.507 GHz. The trapping of ions effectively eliminates the frequency pulling that would otherwise be caused by collisions between clock atoms and the wall of a gas cell. The shuttling of the ions between the two traps enables separation of the state-selection process from the clock microwave-resonance process, so that each of these processes can be optimized independently of the other. This is similar to the operation of an atomic beam clock, except that with ions the beam can be halted and reversed as ions are shuttled back and forth between the two traps. When the two traps are driven at the same radio frequency, the strength of confinement can be reduced near the junction between the two traps, depending upon the relative phase of the RF voltage used to operate each of the two traps, and can cause loss of ions during each transit between the traps and thereby cause loss of the 40.507-GHz ion-clock resonance signal. The essence of the modification is to drive the two traps at different frequencies typically between 1.5 and 2 MHz for the quadrupole trap and a frequency a few hundred kHz higher for the 16- pole trap. A frequency difference of a few hundred kHz ensures that the ion motion caused by the trapping electric fields is small relative to the diameter of the traps. Unlike in the case in which both traps are driven at the same frequency, the trapping electric fields near the junction are not zero at all times; instead, the regions of low electric field near the junction open and close at the difference frequency. An additional benefit of making the 16-pole trap operate at higher frequency is that the strength or depth of the multipole trap can be increased independent of the quadrupole ion trap.

Calculation of total cross sections for charge exchange in molecular collisions

NASA Technical Reports Server (NTRS)

Ioup, J.

1979-01-01

Areas of investigation summarized include nitrogen ion-nitrogen molecule collisions; molecular collisions with surfaces; molecular identification from analysis of cracking patterns of selected gases; computer modelling of a quadrupole mass spectrometer; study of space charge in a quadrupole; transmission of the 127 deg cylindrical electrostatic analyzer; and mass spectrometer data deconvolution.

Excitation of transverse dipole and quadrupole modes in a pure ion plasma in a linear Paul trap to study collective processes in intense beams

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

Gilson, Erik P.; Davidson, Ronald C.; Efthimion, Philip C.

Transverse dipole and quadrupole modes have been excited in a one-component cesium ion plasma trapped in the Paul Trap Simulator Experiment (PTSX) in order to characterize their properties and understand the effect of their excitation on equivalent long-distance beam propagation. The PTSX device is a compact laboratory Paul trap that simulates the transverse dynamics of a long, intense charge bunch propagating through an alternating-gradient transport system by putting the physicist in the beam's frame of reference. A pair of arbitrary function generators was used to apply trapping voltage waveform perturbations with a range of frequencies and, by changing which electrodesmore » were driven with the perturbation, with either a dipole or quadrupole spatial structure. The results presented in this paper explore the dependence of the perturbation voltage's effect on the perturbation duration and amplitude. Perturbations were also applied that simulate the effect of random lattice errors that exist in an accelerator with quadrupole magnets that are misaligned or have variance in their field strength. The experimental results quantify the growth in the equivalent transverse beam emittance that occurs due to the applied noise and demonstrate that the random lattice errors interact with the trapped plasma through the plasma's internal collective modes. Coherent periodic perturbations were applied to simulate the effects of magnet errors in circular machines such as storage rings. The trapped one component plasma is strongly affected when the perturbation frequency is commensurate with a plasma mode frequency. The experimental results, which help to understand the physics of quiescent intense beam propagation over large distances, are compared with analytic models.« less

Development of high intensity ion sources for a Tandem-Electrostatic-Quadrupole facility for Accelerator-Based Boron Neutron Capture Therapy.

PubMed

Bergueiro, J; Igarzabal, M; Sandin, J C Suarez; Somacal, H R; Vento, V Thatar; Huck, H; Valda, A A; Repetto, M; Kreiner, A J

2011-12-01

Several ion sources have been developed and an ion source test stand has been mounted for the first stage of a Tandem-Electrostatic-Quadrupole facility For Accelerator-Based Boron Neutron Capture Therapy. A first source, designed, fabricated and tested is a dual chamber, filament driven and magnetically compressed volume plasma proton ion source. A 4 mA beam has been accelerated and transported into the suppressed Faraday cup. Extensive simulations of the sources have been performed using both 2D and 3D self-consistent codes. Copyright © 2011 Elsevier Ltd. All rights reserved.

Electronic Effects of 11β Substituted 17β-Estradiol Derivatives and Instrumental Effects on the Relative Gas Phase Acidity

NASA Astrophysics Data System (ADS)

Bourgoin-Voillard, Sandrine; Fournier, Françoise; Afonso, Carlos; Zins, Emilie-Laure; Jacquot, Yves; Pèpe, Claude; Leclercq, Guy; Tabet, Jean-Claude

2012-12-01

Numerous studies have highlighted the role of the proton donor characteristics of the phenol group of 17β-estradiol (E2) in its association with the estrogen receptor alpha (ERα). Since the substitutions at position C(11) have been reported to modulate this association, we hypothesized that such substitutions may modify the phenol acidity. Hence, phenol gas-phase acidity of nine C(11)-substituted E2-derivatives were evaluated using the extended Cooks' kinetic method, which is a method widely used to determine thermochemical properties by mass spectrometry. To enhance accuracy in data collection we recorded data from several instruments, including quadrupole ion trap, triple quadrupole, and hybrid QqTOF. Indeed, we report for the first time the use of the QqTOF instrument to provide a novel means to improve data accuracy by giving access to an intermediate effective temperature range. All experimental gas-phase acidity values were supported by theoretical calculations. Our results confirmed the ability of distant substituents at C(11) to modulate the phenol acidity through electrostatic interactions, electron withdrawing inductive effects, and mesomeric effects. However, no relationship was found between the phenol gas-phase acidity of investigated steroids and their binding affinity for ERα assessed in solution. Thus, our results highlight that the intrinsic properties of the hormone do not influence sufficiently the stabilization of the hormone/ERα complex. It is more likely that such stabilization would be more related to factors depending on the environment within the binding pocket such as hydrophobic, steric as well as direct intermolecular electrostatic effects between ERα residues and the substituted steroidal estrogens.

Dynamics of vortex quadrupoles in nonrotating trapped Bose-Einstein condensates

PubMed Central

Yang, Tao; Hu, Zhi-Qiang; Zou, Shan; Liu, Wu-Ming

2016-01-01

Dynamics of vortex clusters is essential for understanding diverse superfluid phenomena. In this paper, we examine the dynamics of vortex quadrupoles in a trapped two-dimensional (2D) Bose-Einstein condensate. We find that the movement of these vortex-clusters fall into three distinct regimes which are fully described by the radial positions of the vortices in a 2D isotropic harmonic trap, or by the major radius (minor radius) of the elliptical equipotential lines decided by the vortex positions in a 2D anisotropic harmonic trap. In the “recombination” and “exchange” regimes the quadrupole structure maintains, while the vortices annihilate each other permanently in the “annihilation” regime. We find that the mechanism of the charge flipping in the “exchange” regime and the disappearance of the quadrupole structure in the “annihilation” regime are both through an intermediate state where two vortex dipoles connected through a soliton ring. We give the parameter ranges for these three regimes in coordinate space for a specific initial configuration and phase diagram of the vortex positions with respect to the Thomas-Fermi radius of the condensate. We show that the results are also applicable to systems with quantum fluctuations for the short-time evolution. PMID:27464981

Thermal noise in aqueous quadrupole micro- and nano-traps

DOE PAGES

Park, Jae; Krstić, Predrag S.

2012-02-27

Recent simulations and experiments with aqueous quadrupole micro-traps have confirmed a possibility for control and localization of motion of a charged particle in a water environment, also predicting a possibility of further reduction of the trap size to tens of nano-meters for trapping charged bio-molecules and DNA segments. We study the random thermal noise due to Brownian motion in water which significantly influences the trapping of particles in an aqueous environment. We derive the exact, closed-form expressions for the thermal fluctuations of position and velocity of a trapped particle and thoroughly examine the properties of the rms for the fluctuationsmore » as functions of the system parameters and time. The instantaneous signal transferring mechanism between the velocity and position fluctuations could not be achieved in the previous phase-average approaches.« less

Use of a Linear Paul Trap to Study Random Noise-Induced Beam Degradation in High-Intensity Accelerators

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

Chung, Moses; Gilson, Erik P.; Davidson, Ronald C.

2009-04-10

A random noise-induced beam degradation that can affect intense beam transport over long propagation distances has been experimentally studied by making use of the transverse beam dynamics equivalence between an alternating-gradient (AG) focusing system and a linear Paul trap system. For the present studies, machine imperfections in the quadrupole focusing lattice are considered, which are emulated by adding small random noise on the voltage waveform of the quadrupole electrodes in the Paul trap. It is observed that externally driven noise continuously produces a nonthermal tail of trapped ions, and increases the transverse emittance almost linearly with the duration of themore » noise.« less

Evaluating Mass Analyzers as Candidates for Small, Portable, Rugged Single Point Mass Spectrometers for Analysis of Permanent Gases

NASA Technical Reports Server (NTRS)

Arkin, C. Richard; Ottens, Andrew K.; Diaz, Jorge A.; Griffin, Timothy P.; Follestein, Duke; Adams, Fredrick; Steinrock, T. (Technical Monitor)

2001-01-01

For Space Shuttle launch safety, there is a need to monitor the concentration Of H2, He, O2, and Ar around the launch vehicle. Currently a large mass spectrometry system performs this task, using long transport lines to draw in samples. There is great interest in replacing this stationary system with several miniature, portable, rugged mass spectrometers which act as point sensors which can be placed at the sampling point. Five commercial and two non-commercial analyzers are evaluated. The five commercial systems include the Leybold Inficon XPR-2 linear quadrupole, the Stanford Research (SRS-100) linear quadrupole, the Ferran linear quadrupole array, the ThermoQuest Polaris-Q quadrupole ion trap, and the IonWerks Time-of-Flight (TOF). The non-commercial systems include a compact double focusing sector (CDFMS) developed at the University of Minnesota, and a quadrupole ion trap (UF-IT) developed at the University of Florida.

Use of phenyl/tetrazolyl-functionalized magnetic microspheres and stable isotope labeled internal standards for significant reduction of matrix effect in determination of nine fluoroquinolones by liquid chromatography-quadrupole linear ion trap mass spectrometry.

PubMed

Xu, Fei; Liu, Feng; Wang, Chaozhan; Wei, Yinmao

2018-02-01

In this study, the strategy of unique adsorbent combined with isotope labeled internal standards was used to significantly reduce the matrix effect for the enrichment and analysis of nine fluoroquinolones in a complex sample by liquid chromatography coupled to quadrupole linear ion trap mass spectrometry (LC-QqQ LIT -MS/MS). The adsorbent was prepared conveniently by functionalizing Fe 3 O 4 @SiO 2 microspheres with phenyl and tetrazolyl groups, which could adsorb fluoroquinolones selectively via hydrophobic, electrostatic, and π-π interactions. The established magnetic solid-phase extraction (MSPE) method as well as using stable isotope labeled internal standards in the next MS/MS detection was able to reduce the matrix effect significantly. In the process of LC-QqQ LIT -MS/MS analysis, the precursor and product ions of the analytes were monitored quantitatively and qualitatively on a QTrap system equipped simultaneously with the multiple reaction monitoring (MRM) and enhanced product ion (EPI) scan. Subsequently, the enrichment method combined with LC-QqQ LIT -MS/MS demonstrated good analytical features in terms of linearity (7.5-100.0 ng mL -1 , r > 0.9960), satisfactory recoveries (88.6%-118.3%) with RSDs < 12.0%, LODs = 0.5 μg kg -1 and LOQs = 1.5 μg kg -1 for all tested analytes. Finally, the developed MSPE-LC-QqQ LIT -MS/MS method had been successfully applied to real pork samples for food-safety risk monitoring in Ningxia Province, China. Graphical abstract Mechanism of reducing matrix effect through the as-prepared adsorbent.

Quadrupole ion traps and trap arrays: geometry, material, scale, performance.

PubMed

Ouyang, Z; Gao, L; Fico, M; Chappell, W J; Noll, R J; Cooks, R G

2007-01-01

Quadrupole ion traps are reviewed, emphasizing recent developments, especially the investigation of new geometries, guided by multiple particle simulations such as the ITSIM program. These geometries include linear ion traps (LITs) and the simplified rectilinear ion trap (RIT). Various methods of fabrication are described, including the use of rapid prototyping apparatus (RPA), in which 3D objects are generated through point-by-point laser polymerization. Fabrication in silicon using multilayer semi-conductor fabrication techniques has been used to construct arrays of micro-traps. The performance of instruments containing individual traps as well as arrays of traps of various sizes and geometries is reviewed. Two types of array are differentiated. In the first type, trap arrays constitute fully multiplexed mass spectrometers in which multiple samples are examined using multiple sources, analyzers and detectors, to achieve high throughput analysis. In the second, an array of individual traps acts collectively as a composite trap to increase trapping capacity and performance for a single sample. Much progress has been made in building miniaturized mass spectrometers; a specific example is a 10 kg hand-held tandem mass spectrometer based on the RIT mass analyzer. The performance of this instrument in air and water analysis, using membrane sampling, is described.

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

Kleinert, J.; Haimberger, C.; Zabawa, P. J.

We present a detailed description on how to build a thin wire electrostatic trap (TWIST) for ultracold polar molecules. It is the first design of an electrostatic trap that can be superimposed directly onto a magneto-optical trap (MOT). We can thus continuously produce ultracold polar molecules via photoassociation from a two species MOT and instantaneously trap them in the TWIST without the need for complex transfer schemes. Despite the spatial overlap of the TWIST and the MOT, the two traps can be operated and optimized completely independently due to the complementary nature of the utilized trapping mechanisms.

Dynamics of charged particles in a Paul radio-frequency quadrupole trap

NASA Technical Reports Server (NTRS)

Prestage, J. D.; Williams, A.; Maleki, L.; Djomehri, M. J.; Harabetian, E.

1991-01-01

A molecular-dynamics simulation of hundreds of ions confined in a Paul trap has been performed. The simulation includes the trapped particles' micromotion and interparticle Coulomb interactions. A random walk in velocity was implemented to bring the secular motion to a given temperature which was numerically measured. When the coupling Gamma is large the ions from concentric shells which undergo a quadrupole oscillation at the RF frequency, while the ions within a shell form a 2D hexagonal lattice. Ion clouds at 5 mK show no RF heating for q(z) less than about 0.6, whereas rapid heating is seen for qz = 0.8.

Trapping of ultracold polar molecules with a thin-wire electrostatic trap.

PubMed

Kleinert, J; Haimberger, C; Zabawa, P J; Bigelow, N P

2007-10-05

We describe the realization of a dc electric-field trap for ultracold polar molecules, the thin-wire electrostatic trap (TWIST). The thin wires that form the electrodes of the TWIST allow us to superimpose the trap onto a magneto-optical trap (MOT). In our experiment, ultracold polar NaCs molecules in their electronic ground state are created in the MOT via photoassociation, achieving a continuous accumulation in the TWIST of molecules in low-field seeking states. Initial measurements show that the TWIST trap lifetime is limited only by the background pressure in the chamber.

Ionization of polarized 3He+ ions in EBIS trap with slanted electrostatic mirror.

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

Pikin,A.; Zelenski, A.; Kponou, A.

2007-09-10

Methods of producing the nuclear polarized {sup 3}He{sup +} ions and their ionization to {sup 3}H{sup ++} in ion trap of the electron Beam Ion Source (EBIS) are discussed. Computer simulations show that injection and accumulation of {sup 3}He{sup +} ions in the EBIS trap with slanted electrostatic mirror can be very effective for injection times longer than the ion traversal time through the trap.

Ionization of polarized {sup 3}He{sup +} ions in EBIS trap with slanted electrostatic mirror

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

Pikin, A.; Zelenski, A.; Kponou, A.

2008-02-06

Methods of producing the nuclear polarized {sup 3}He{sup +} ions and their ionization to {sup 3}He{sup ++} in ion trap of the electron Beam Ion Source (EBIS) are discussed. Computer simulations show that injection and accumulation of {sup 3}He{sup +} ions in the EBIS trap with slanted electrostatic mirror can be very effective for injection times longer than the ion traversal time through the trap.

Resilience of quasi-isodynamic stellarators against trapped-particle instabilities.

PubMed

Proll, J H E; Helander, P; Connor, J W; Plunk, G G

2012-06-15

It is shown that in perfectly quasi-isodynamic stellarators, trapped particles with a bounce frequency much higher than the frequency of the instability are stabilizing in the electrostatic and collisionless limit. The collisionless trapped-particle instability is therefore stable as well as the ordinary electron-density-gradient-driven trapped-electron mode. This result follows from the energy balance of electrostatic instabilities and is thus independent of all other details of the magnetic geometry.

Protein and peptide cross sections and mass spectra in an electrostatic ion beam trap

NASA Astrophysics Data System (ADS)

Fradkin, Z.; Strasser, D.; Heber, O.; Rappaport, M. L.; Sharon, M.; Thomson, B. A.; Rahinov, I.; Toker, Y.; Zajfman, D.

2017-05-01

Among the advantages of an electrostatic ion beam trap (EIBT), which is based on purely electrostatic fields, are mass-unlimited trapping and ease of operation. We have developed a new system that couples an electrospray ion source to an EIBT. Between the source and EIBT there is a Paul trap in which the ions are accumulated before being extracted and accelerated. After the ion bunch has entered the EIBT, the ions are trapped by rapidly raising the voltages on the entrance mirror. The oscillations of the bunch are detected by amplifying the charge induced on a pickup ring in the center of the trap, the ion mass being directly proportional to the square of the oscillation period. The trapping of biomolecules in the RF-bunching mode of the EIBT is used for measurement of mass spectra and collision cross sections. Coalescence of bunches of ions of nearby mass in the self-bunching mode is also demonstrated.

Study of the extra-ionic electron distributions in semi-metallic structures by nuclear quadrupole resonance techniques

NASA Technical Reports Server (NTRS)

Murty, A. N.

1976-01-01

A straightforward self-consistent method was developed to estimate solid state electrostatic potentials, fields and field gradients in ionic solids. The method is a direct practical application of basic electrostatics to solid state and also helps in the understanding of the principles of crystal structure. The necessary mathematical equations, derived from first principles, were presented and the systematic computational procedure developed to arrive at the solid state electrostatic field gradients values was given.

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

Owen, Benjamin C.; Kenttamaa, Hilkka I.

The present disclosure provides a new tandem mass spectrometer and methods of using the same for analyzing charged particles. The differentially pumped dual linear quadrupole ion trap mass spectrometer of the present disclose includes a combination of two linear quadrupole (LQIT) mass spectrometers with differentially pumped vacuum chambers.

SELF-TRAPPING OF DISKOSEISMIC CORRUGATION MODES IN NEUTRON STAR SPACETIMES

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

Tsang, David; Pappas, George

2016-02-10

We examine the effects of higher-order multipole contributions of rotating neutron star (NS) spacetimes on the propagation of corrugation (c-)modes within a thin accretion disk. We find that the Lense–Thirring precession frequency, which determines the propagation region of the low-frequency fundamental corrugation modes, can experience a turnover allowing for c-modes to become self-trapped for sufficiently high dimensionless spin j and quadrupole rotational deformability α. If such self-trapping c-modes can be detected, e.g., through phase-resolved spectroscopy of the iron line for a high-spin low-mass accreting neutron star, this could potentially constrain the spin-induced NS quadrupole and the NS equation of state.

Self-Trapping of Diskoseismic Corrugation Modes in Neutron Star Spacetimes

NASA Astrophysics Data System (ADS)

Tsang, David; Pappas, George

2016-02-01

We examine the effects of higher-order multipole contributions of rotating neutron star (NS) spacetimes on the propagation of corrugation (c-)modes within a thin accretion disk. We find that the Lense-Thirring precession frequency, which determines the propagation region of the low-frequency fundamental corrugation modes, can experience a turnover allowing for c-modes to become self-trapped for sufficiently high dimensionless spin j and quadrupole rotational deformability α. If such self-trapping c-modes can be detected, e.g., through phase-resolved spectroscopy of the iron line for a high-spin low-mass accreting neutron star, this could potentially constrain the spin-induced NS quadrupole and the NS equation of state.

Electrostatic Properties of Aqueous Salt Solution Interfaces: A Comparison of Polarizable and Non-Polarizable Ion Models

PubMed Central

Warren, G. Lee; Patel, Sandeep

2014-01-01

The effects of ion force field polarizability on the interfacial electrostatic properties of ~1 M aqueous solutions of NaCl, CsCl and NaI are investigated using molecular dynamics simulations employing both non-polarizable and Drude-polarizable ion sets. Differences in computed depth-dependent orientational distributions, “permanent” and induced dipole and quadrupole moment profiles, and interfacial potentials are obtained for both ion sets to further elucidate how ion polarizability affects interfacial electrostatic properties among the various salts relative to pure water. We observe that the orientations and induced dipoles of water molecules are more strongly perturbed in the presence of polarizable ions via a stronger ionic double layer effect arising from greater charge separation. Both anions and cations exhibit enhanced induced dipole moments and strong z alignment in the vicinity of the Gibbs dividing surface (GDS) with the magnitude of the anion induced dipoles being nearly an order of magnitude larger than those of the cations and directed into the vapor phase. Depth-dependent profiles for the trace and zz components of the water molecular quadrupole moment tensors reveal 40% larger quadrupole moments in the bulk phase relative to the vapor mimicking a similar observed 40% increase in the average water dipole moment. Across the GDS, the water molecular quadrupole moments increase non-monotonically (in contrast to the water dipoles) and exhibit a locally reduced contribution just below the surface due to both orientational and polarization effects. Computed interfacial potentials for the non-polarizable salts yield values 20 to 60 mV more positive than pure water and increase by an additional 30 to 100 mV when ion polarizability is included. A rigorous decomposition of the total interfacial potential into ion monopole, water and ion dipole, and water quadrupole components reveals that a very strong, positive ion monopole contribution is offset by negative contributions from all other potential sources. Water quadrupole components modulated by the water density contribute significantly to the observed interfacial potential increments and almost entirely explain observed differences in the interfacial potentials for the two chloride salts. By lumping all remaining non-quadrupole interfacial potential contributions into a single “effective” dipole potential, we observe that the ratio of quadrupole to “effective” dipole contributions range from 2:1 in CsCl to 1:1.5 in NaI suggesting that both contributions are comparably important in determining the interfacial potential increments. We also find that oscillations in the quadrupole potential in the double layer region are opposite in sign and partially cancel those of the “effective” dipole potential. PMID:18712908

Means for the focusing and acceleration of parallel beams of charged particles. [Patent application

DOEpatents

Maschke, A.W.

1980-09-23

Apparatus for focusing beams of charged particles comprising planar arrays of electrostatic quadrupoles. The array may be assembled from a single component which comprises a support plate containing uniform rows of poles. Each pole is separated by a hole through the plate designed to pass a beam. Two such plates may be positioned with their poles intermeshed to form a plurality of quadrupoles.

Novel control modes to improve the performance of rectilinear ion trap mass spectrometer with dual pressure chambers

NASA Astrophysics Data System (ADS)

Huo, Xinming; Tang, Fei; Zhang, Xiaohua; Chen, Jin; Zhang, Yan; Guo, Cheng'an; Wang, Xiaohao

2016-10-01

The rectilinear ion trap (RIT) has gradually become one of the preferred mass analyzers for portable mass spectrometers because of its simple configuration. In order to enhance the performance, including sensitivity, quantitation capability, throughput, and resolution, a novel RIT mass spectrometer with dual pressure chambers was designed and characterized. The studied system constituted a quadrupole linear ion trap (QLIT) in the first chamber and a RIT in the second chamber. Two control modes are hereby proposed: Storage Quadrupole Linear Ion Trap-Rectilinear Ion Trap (SQLIT-RIT) mode, in which the QLIT was used at high pressure for ion storage and isolation, and the RIT was used for analysis; and Analysis Quadrupole Linear Ion Trap-Rectilinear Ion Trap (AQLIT-RIT) mode, in which the QLIT was used for ion storage and cooling. Subsequently, synchronous scanning and analysis were carried out by QLIT and RIT. In SQLIT-RIT mode, signal intensity was improved by a factor of 30; the limit of quantitation was reduced more than tenfold to 50 ng mL-1, and an optimal duty cycle of 96.4% was achieved. In AQLIT-RIT mode, the number of ions coexisting in the RIT was reduced, which weakened the space-charge effect and reduced the mass shift. Furthermore, the mass resolution was enhanced by a factor of 3. The results indicate that the novel control modes achieve satisfactory performance without adding any system complexity, which provides a viable pathway to guarantee good analytical performance in miniaturization of the mass spectrometer.

A new quasi-thermal trap model for solar flare hard X-ray bursts - An electrostatic trap model

NASA Technical Reports Server (NTRS)

Spicer, D. S.; Emslie, A. G.

1988-01-01

A new quasi-thermal trap model of solar flare hard X-ray bursts is presented. The new model utilizes the trapping ability of a magnetic mirror and a magnetic field-aligned electrostatic potential produced by differences in anisotropies of the electron and ion distribution function. It is demonstrated that this potential can, together with the magnetic mirror itself, effectively confine electrons in a trap, thereby enhancing their bremsstrahlung yield per electron. This analysis makes even more untenable models involving precipitation of the bremsstrahlung-producing electrons onto a cold target.

Auroral-particle precipitation and trapping caused by electrostatic double layers in the ionosphere.

PubMed

Albert, R D; Lindstrom, P J

1970-12-25

Interpretation of high-resolution angular distribution measurements of the primary auroral electron flux detected by a rocket probe launched into a visible aurora from Fort Churchill in the fall of 1966 leads to the following conclusions. The auroral electron flux is nearly monoenergetic and has a quasi-trapped as well as a precipitating component. The quasi-trapped flux appears to be limited to a region defined by magnetic-mirror points and multiple electrostatic double layers in the ionosphere. The electrostatic field of the double-layer distribution enhances the aurora by lowering the magnetic-mirror points and supplying energy to the primary auroral electrons.

Microfabricated linear Paul-Straubel ion trap

DOEpatents

Mangan, Michael A [Albuquerque, NM; Blain, Matthew G [Albuquerque, NM; Tigges, Chris P [Albuquerque, NM; Linker, Kevin L [Albuquerque, NM

2011-04-19

An array of microfabricated linear Paul-Straubel ion traps can be used for mass spectrometric applications. Each ion trap comprises two parallel inner RF electrodes and two parallel outer DC control electrodes symmetric about a central trap axis and suspended over an opening in a substrate. Neighboring ion traps in the array can share a common outer DC control electrode. The ions confined transversely by an RF quadrupole electric field potential well on the ion trap axis. The array can trap a wide array of ions.

The Columbia University Sub-micron Charged Particle Beam

PubMed Central

Randers-Pehrson, Gerhard; Johnson, Gary W.; Marino, Stephen A.; Xu, Yanping; Dymnikov, Alexander D.; Brenner, David J.

2009-01-01

A lens system consisting of two electrostatic quadrupole triplets has been designed and constructed at the Radiological Research Accelerator Facility (RARAF) of Columbia University. The lens system has been used to focus 6-MeV 4He ions to a beam spot in air with a diameter of 0.8 µm. The quadrupole electrodes can withstand voltages high enough to focus 4He ions up to 10 MeV and protons up to 5 MeV. The quadrupole triplet design is novel in that alignment is made through precise construction and the relative strengths of the quadrupoles are accomplished by the lengths of the elements, so that the magnitudes of the voltages required for focusing are nearly identical. The insulating sections between electrodes have had ion implantation to improve the voltage stability of the lens. The lens design employs Russian symmetry for the quadrupole elements. PMID:20161365

Spectra of 42S1/2→32D5/2 Transitions of a Single Trapped 40Ca+ Ion

NASA Astrophysics Data System (ADS)

Gong, Shi-Jie; Zhou, Fei; Wu, Hao-Yu; Wan, Wei; Chen, Liang; Feng, Mang

2015-01-01

We investigate the spectra of the electric quadrupole 42S1/2→32D5/2 transitions in a single 40Ca+ ion confined in a home-built linear trap. We probe the transitions with an ultra-narrow bandwidth laser at 729 nm. In a weak magnetic field, the quadrupole transition splits into ten components with the maximal line strength proportional to their squared Clebsch—Gordan factors. In a magnetic field of the order of Gauss, the observed equidistant sideband reflects the Zeeman substructure modulated by the quantized oscillation due to the secular motion in the trap. The temperature of the trapped ion can be determined by the envelope of the sideband spectrum. We also demonstrate the Rabi oscillation in a carrier transition after the ion has been Doppler cooled, which can be fitted by the model with the thermal state of motion.

Development and Use of Fluorescent Antibody and qPCR Protocols for the Electrostatic Spore Trap

USDA-ARS?s Scientific Manuscript database

Fluorescent antibody (FA) and qPCR protocols were evaluated for the newly developed aerobiological sampler (Ionic Spore Trap), which depends upon electrostatic deposition of particulates onto a 25 mm aluminum disk (stub). This device was originally designed for assessment of captured particulates by...

Study of rat hypothalamic proteome by HPLC/ESI ion trap and HPLC/ESI-Q-TOF MS.

PubMed

Iqbal, Javed; Li, Wang; Ullah, Kaleem; Hasan, Murtaza; Linna, Guo; Awan, Umer; Zhang, Yongqian; Batool, Sajida; Qing, Hong; Deng, Yulin

2013-08-01

The proteomic profile of hypothalamus, a key organ of CNS, is explored here by employing two widely used MS techniques, i.e. HPLC/ESI-ion trap and HPLC/ESI-quadrupole-TOF MS. Strong cation exchange is used for the fractionation of peptides and protein search engine MASCOT is employed for data query. One hundred and thirty six proteins with 10 973 peptides were identified by HPLC/ESI-ion trap MS, while 140 proteins with 32 183 peptides were characterized by HPLC/ESI-quadrupole-TOF MS. Among the total 198 proteins identified in both experiments, 78 proteins were common in both sets of conditions. The rest of the 120 proteins were identified distinctly in both MS strategies, i.e. 58 unique proteins were found using the quadrupole-TOF while 62 were found with the HPLC/ESI-ion trap. Moreover, these proteins were classified into groups based on their functions performed in the body. Results presented here identified some important signal and cellular defense proteins inevitable for survival in stressed conditions. Additionally, it is also shown that any single MS strategy is not reliable for good results due to loss of data depending on sensitivity of the instrument used. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multi-Pass Quadrupole Mass Analyzer

NASA Technical Reports Server (NTRS)

Prestage, John D.

2013-01-01

Analysis of the composition of planetary atmospheres is one of the most important and fundamental measurements in planetary robotic exploration. Quadrupole mass analyzers (QMAs) are the primary tool used to execute these investigations, but reductions in size of these instruments has sacrificed mass resolving power so that the best present-day QMA devices are still large, expensive, and do not deliver performance of laboratory instruments. An ultra-high-resolution QMA was developed to resolve N2 +/CO+ by trapping ions in a linear trap quadrupole filter. Because N2 and CO are resolved, gas chromatography columns used to separate species before analysis are eliminated, greatly simplifying gas analysis instrumentation. For highest performance, the ion trap mode is used. High-resolution (or narrow-band) mass selection is carried out in the central region, but near the DC electrodes at each end, RF/DC field settings are adjusted to allow broadband ion passage. This is to prevent ion loss during ion reflection at each end. Ions are created inside the trap so that low-energy particles are selected by low-voltage settings on the end electrodes. This is beneficial to good mass resolution since low-energy particles traverse many cycles of the RF filtering fields. Through Monte Carlo simulations, it is shown that ions are reflected at each end many tens of times, each time being sent back through the central section of the quadrupole where ultrahigh mass filtering is carried out. An analyzer was produced with electrical length orders of magnitude longer than its physical length. Since the selector fields are sized as in conventional devices, the loss of sensitivity inherent in miniaturizing quadrupole instruments is avoided. The no-loss, multi-pass QMA architecture will improve mass resolution of planetary QMA instruments while reducing demands on the RF electronics for high-voltage/high-frequency production since ion transit time is no longer limited to a single pass. The QMA-based instrument will thus give way to substantial reductions of the mass of flight instruments.

An effect of nuclear electric quadrupole moments in thermonuclear fusion plasmas

NASA Technical Reports Server (NTRS)

De, B. R.; Srnka, L. J.

1978-01-01

Consideration of the nuclear electric quadrupole terms in the expression for the fusion Coulomb barrier suggests that this electrostatic barrier may be substantially modified from that calculated under the usual plasma assumption that the nuclei are electric monopoles. This effect is a result of the nonspherical potential shape and the spatial quantization of the nuclear spins of the fully stripped ions in the presence of a magnetic field. For monopole-quadrupole fuel cycles like p-B-11, the fusion cross-section may be substantially increased at low energies if the protons are injected at a small angle relative to the confining magnetic field.

An electrostatic autoresonant ion trap mass spectrometer.

PubMed

Ermakov, A V; Hinch, B J

2010-01-01

A new method for ion extraction from an anharmonic electrostatic trap is introduced. Anharmonicity is a common feature of electrostatic traps which can be used for small scale spatial confinement of ions, and this feature is also necessary for autoresonant ion extraction. With the aid of ion trajectory simulations, novel autoresonant trap mass spectrometers (ART-MSs) have been designed based on these very simple principles. A mass resolution approximately 60 is demonstrated for the prototypes discussed here. We report also on the pressure dependencies, and the (mV) rf field strength dependencies of the ART-MS sensitivity. Importantly the new MS designs do not require heavy magnets, tight manufacturing tolerances, introduction of buffer gases, high power rf sources, nor complicated electronics. The designs described here are very inexpensive to implement relative to other instruments, and can be easily miniaturized. Possible applications are discussed.

Analysis of fast boundary-integral approximations for modeling electrostatic contributions of molecular binding

PubMed Central

Kreienkamp, Amelia B.; Liu, Lucy Y.; Minkara, Mona S.; Knepley, Matthew G.; Bardhan, Jaydeep P.; Radhakrishnan, Mala L.

2013-01-01

We analyze and suggest improvements to a recently developed approximate continuum-electrostatic model for proteins. The model, called BIBEE/I (boundary-integral based electrostatics estimation with interpolation), was able to estimate electrostatic solvation free energies to within a mean unsigned error of 4% on a test set of more than 600 proteins—a significant improvement over previous BIBEE models. In this work, we tested the BIBEE/I model for its capability to predict residue-by-residue interactions in protein–protein binding, using the widely studied model system of trypsin and bovine pancreatic trypsin inhibitor (BPTI). Finding that the BIBEE/I model performs surprisingly less well in this task than simpler BIBEE models, we seek to explain this behavior in terms of the models’ differing spectral approximations of the exact boundary-integral operator. Calculations of analytically solvable systems (spheres and tri-axial ellipsoids) suggest two possibilities for improvement. The first is a modified BIBEE/I approach that captures the asymptotic eigenvalue limit correctly, and the second involves the dipole and quadrupole modes for ellipsoidal approximations of protein geometries. Our analysis suggests that fast, rigorous approximate models derived from reduced-basis approximation of boundary-integral equations might reach unprecedented accuracy, if the dipole and quadrupole modes can be captured quickly for general shapes. PMID:24466561

Preliminary Results of the VLFE Quadrupole Instrumentation From The PARX Sounding Rocket

NASA Astrophysics Data System (ADS)

Reinleitner, L. A.; Holzworth, R. H.; Meadows, A. L.

2003-12-01

The NASA Pulsating Auroral Rocket eXperiment (PARX - March '97 from Poker Flat, AK) was equipped with 4 electric field probes oriented (X and Y) perpendicular to the ambient magnetic field, and one probe (along the Z axis) to obtain the parallel electric field. The rocket also included a three-axis VLF search coil magnetometer. The VLF measurements for both instruments were from 100 Hz - 8 KHz. Additionally, the electric field information was used onboard the rocket to obtain the "quadrupole" electric field, defined to be {(V1+V2) - (V3+V4)}/2d, which shows significant response only to short wavelength waves. This instrumentation clearly shows the long wavelength nature of features tentatively described as auroral hiss, and the shorter wavelength nature of the electrostatic and/or quasi-electrostatic waves.

Method for increasing the dynamic range of mass spectrometers

DOEpatents

Belov, Mikhail; Smith, Richard D.; Udseth, Harold R.

2004-09-07

A method for enhancing the dynamic range of a mass spectrometer by first passing a sample of ions through the mass spectrometer having a quadrupole ion filter, whereupon the intensities of the mass spectrum of the sample are measured. From the mass spectrum, ions within this sample are then identified for subsequent ejection. As further sampling introduces more ions into the mass spectrometer, the appropriate rf voltages are applied to a quadrupole ion filter, thereby selectively ejecting the undesired ions previously identified. In this manner, the desired ions may be collected for longer periods of time in an ion trap, thus allowing better collection and subsequent analysis of the desired ions. The ion trap used for accumulation may be the same ion trap used for mass analysis, in which case the mass analysis is performed directly, or it may be an intermediate trap. In the case where collection is an intermediate trap, the desired ions are accumulated in the intermediate trap, and then transferred to a separate mass analyzer. The present invention finds particular utility where the mass analysis is performed in an ion trap mass spectrometer or a Fourier transform ion cyclotron resonance mass spectrometer.

Preparation of translationally cold neutral molecules.

PubMed

Di Domenicantonio, Giulia; Bertsche, Benjamin; Osterwalder, Andreas

2011-01-01

Efforts at EPFL to obtain translationally cold neutral molecules are described. Active deceleration of polar molecules is performed by confining the molecules in moving three-dimensional electrostatic traps, and by appropriately choosing the velocity of those traps. Alternatively, cold molecules can be obtained by velocity filtering. Here, the velocity of the molecules is not changed, but instead the cold molecules are extracted from a thermal sample by using the competition between the electrostatic force and the centrifugal force inside a bent electrostatic guide for polar molecules.

Measuring masses of single bacterial whole cells with a quadrupole ion trap.

PubMed

Peng, Wen-Ping; Yang, Yi-Chang; Kang, Ming-Wei; Lee, Yuan T; Chang, Huan-Cheng

2004-09-29

A novel method has been developed to precisely measure the masses of single bacterial whole cells using a quadrupole ion trap as an electrodynamic balance. The bacterial cells were introduced into the ion trap by matrix-assisted laser desorption/ionization, confined in space by audio frequency ac fields, and detected by elastic light scattering. Mass measurement accuracy approaching 0.1% was achieved for Escherichia coli K-12 with a mass distribution of +/-3% from 60 repetitive measurements of the particles and their clusters. This is the first high-precision mass measurement reported for any intact microorganisms with masses greater than 1 x 1010 Da. The method opens new avenues for high-precision mass measurement of single microbial particles and offers an alternative approach for rapid identification of microorganisms by mass spectrometry.

Magnetic Compensation for Second-Order Doppler Shift in LITS

NASA Technical Reports Server (NTRS)

Burt, Eric; Tjoelker, Robert

2008-01-01

The uncertainty in the frequency of a linear-ion-trap frequency standard (LITS) can be reduced substantially by use of a very small magnetic inhomogeneity tailored to compensate for the residual second-order Doppler shift. An effect associated with the relativistic time dilatation, one cause of the second-order Doppler shift, is ion motion that is attributable to the trapping radio-frequency (RF)electromagnetic field used to trap ions. The second-order Doppler shift is reduced by using a multi-pole trap; however it is still the largest source of systematic frequency shift in the latest generation of LITSs, which are among the most stable clocks in the world. The present compensation scheme reduces the frequency instability of the affected LITS to about a tenth of its previous value. The basic principles of prior generation LITSs were discussed in several prior NASA Tech Briefs articles. Below are recapitulated only those items of basic information necessary to place the present development in context. A LITS includes a microwave local oscillator, the frequency of which is stabilized by comparison with the frequency of the ground state hyperfine transition of 199Hg+ ions. The comparison involves a combination of optical and microwave excitation and interrogation of the ions in a linear ion trap in the presence of a nominally uniform magnetic field. In the current version of the LITS, there are two connected traps (see figure): (1) a quadrupole trap wherein the optical excitation and measurement take place and (2) a 12-pole trap (denoted the resonance trap), wherein the microwave interrogation takes place. The ions are initially loaded into the quadrupole trap and are thereafter shuttled between the two traps. Shuttling ions into the resonance trap allows sensitive microwave interrogation to take place well away from loading interference. The axial magnetic field for the resonance trap is generated by an electric current in a finely wound wire coil surrounded by magnetic shields. In the quadrupole and 12-pole traps, the potentials are produced by RF voltages applied to even numbers (4 and 12, respectively) of parallel rods equally spaced around a circle. The polarity of the voltage on each rod is opposite that of the voltage on the adjacent rod. As a result, the amplitude of the RF trapping field is zero along the centerline and increases, with radius, to a maximum value near the rods.

Effects of non-Gaussian Brownian motion on direct force optical tweezers measurements of the electrostatic forces between pairs of colloidal particles.

PubMed

Raudsepp, Allan; A K Williams, Martin; B Hall, Simon

2016-07-01

Measurements of the electrostatic force with separation between a fixed and an optically trapped colloidal particle are examined with experiment, simulation and analytical calculation. Non-Gaussian Brownian motion is observed in the position of the optically trapped particle when particles are close and traps weak. As a consequence of this motion, a simple least squares parameterization of direct force measurements, in which force is inferred from the displacement of an optically trapped particle as separation is gradually decreased, contains forces generated by the rectification of thermal fluctuations in addition to those originating directly from the electrostatic interaction between the particles. Thus, when particles are close and traps weak, simply fitting the measured direct force measurement to DLVO theory extracts parameters with modified meanings when compared to the original formulation. In such cases, however, physically meaningful DLVO parameters can be recovered by comparing the measured non-Gaussian statistics to those predicted by solutions to Smoluchowski's equation for diffusion in a potential.

Development of a tandem-electrostatic-quadrupole accelerator facility for BNCT.

PubMed

Kreiner, A J; Thatar Vento, V; Levinas, P; Bergueiro, J; Di Paolo, H; Burlon, A A; Kesque, J M; Valda, A A; Debray, M E; Somacal, H R; Minsky, D M; Estrada, L; Hazarabedian, A; Johann, F; Suarez Sandin, J C; Castell, W; Davidson, J; Davidson, M; Giboudot, Y; Repetto, M; Obligado, M; Nery, J P; Huck, H; Igarzabal, M; Fernandez Salares, A

2009-07-01

In this work we describe the present status of an ongoing project to develop a tandem-electrostatic-quadrupole (TESQ) accelerator facility for accelerator-based (AB) BNCT at the Atomic Energy Commission of Argentina in Buenos Aires. The project final goal is a machine capable of delivering 30 mA of 2.4 MeV protons to be used in conjunction with a neutron production target based on the (7)Li(p,n)(7)Be reaction slightly beyond its resonance at 2.25 MeV. These are the specifications needed to produce sufficiently intense and clean epithermal neutron beams, based on the (7)Li(p,n)(7)Be reaction, to perform BNCT treatment for deep-seated tumors in less than an hour. An electrostatic machine is the technologically simplest and cheapest solution for optimized AB-BNCT. The machine being designed and constructed is a folded TESQ with a high-voltage terminal at 1.2 MV intended to work in air. Such a machine is conceptually shown to be capable of transporting and accelerating a 30 mA proton beam to 2.4 MeV. The general geometric layout, its associated electrostatic fields, and the acceleration tube are simulated using a 3D finite element procedure. The design and construction of the ESQ modules is discussed and their electrostatic fields are investigated. Beam transport calculations through the accelerator are briefly mentioned. Likewise, work related to neutron production targets, strippers, beam shaping assembly and patient treatment room is briefly described.

Potential Polymeric Sphere Construction Materials for a Spacecraft Electrostatic Shield

NASA Technical Reports Server (NTRS)

Smith, Joseph G., Jr.; Smith, Trent; Williams, Martha; Youngquist, Robert; Mendell, Wendell

2006-01-01

An electrostatic shielding concept for spacecraft radiation protection under NASA s Exploration Systems Research and Technology Program was evaluated for its effectiveness and feasibility. The proposed shield design is reminiscent of a classic quadrupole with positively and negatively charged spheres surrounding the spacecraft. The project addressed materials, shield configuration, power supply, and compared its effectiveness to that of a passive shield. The report herein concerns the identification of commercially available materials that could be used in sphere fabrication. It was found that several materials were needed to potentially construct the spheres for an electrostatic shield operating at 300 MV.

On the correct implementation of Fermi-Dirac statistics and electron trapping in nonlinear electrostatic plane wave propagation in collisionless plasmas

NASA Astrophysics Data System (ADS)

Schamel, Hans; Eliasson, Bengt

2016-05-01

Quantum statistics and electron trapping have a decisive influence on the propagation characteristics of coherent stationary electrostatic waves. The description of these strictly nonlinear structures, which are of electron hole type and violate linear Vlasov theory due to the particle trapping at any excitation amplitude, is obtained by a correct reduction of the three-dimensional Fermi-Dirac distribution function to one dimension and by a proper incorporation of trapping. For small but finite amplitudes, the holes become of cnoidal wave type and the electron density is shown to be described by a ϕ ( x ) 1 / 2 rather than a ϕ ( x ) expansion, where ϕ ( x ) is the electrostatic potential. The general coefficients are presented for a degenerate plasma as well as the quantum statistical analogue to these steady state coherent structures, including the shape of ϕ ( x ) and the nonlinear dispersion relation, which describes their phase velocity.

Electron cloud generation and trapping in a quadrupole magnet at the Los Alamos proton storage ring

NASA Astrophysics Data System (ADS)

Macek, Robert J.; Browman, Andrew A.; Ledford, John E.; Borden, Michael J.; O'Hara, James F.; McCrady, Rodney C.; Rybarcyk, Lawrence J.; Spickermann, Thomas; Zaugg, Thomas J.; Pivi, Mauro T. F.

2008-01-01

Recent beam physics studies on the two-stream e-p instability at the LANL proton storage ring (PSR) have focused on the role of the electron cloud generated in quadrupole magnets where primary electrons, which seed beam-induced multipacting, are expected to be largest due to grazing angle losses from the beam halo. A new diagnostic to measure electron cloud formation and trapping in a quadrupole magnet has been developed, installed, and successfully tested at PSR. Beam studies using this diagnostic show that the “prompt” electron flux striking the wall in a quadrupole is comparable to the prompt signal in the adjacent drift space. In addition, the “swept” electron signal, obtained using the sweeping feature of the diagnostic after the beam was extracted from the ring, was larger than expected and decayed slowly with an exponential time constant of 50 to 100μs. Other measurements include the cumulative energy spectra of prompt electrons and the variation of both prompt and swept electron signals with beam intensity. Experimental results were also obtained which suggest that a good fraction of the electrons observed in the adjacent drift space for the typical beam conditions in the 2006 run cycle were seeded by electrons ejected from the quadrupole.

Leak Rate Test for a Fiber Beam Monitor Contained in a Vacuum for the Muon g-2 Experiment

NASA Astrophysics Data System (ADS)

O'Mara, Bridget; Lane, Noel; Gross, Eisen; Gray, Frederick; Muon g-2 Collaboration

2014-09-01

The muon g-2 experiment at Fermilab aims to measure the muon anomalous magnetic moment with a precision of 0.14 parts per million (ppm). The measurement will build on the Brookhaven-based E821 experiment, which yielded results suggesting new physics such as supersymmetry. The Fiber Beam Monitors (FBMs) are used in the experiment to determine the position and observe the motion of a muon beam and monitor the properties of the beam over time. The FBMs support a 9 cm × 8 cm ``harp'' with 7 scintillating fibers separated from each other by 13 mm, each with a diameter of 0.5 mm. The experiment requires a vacuum of less than 1 ×10-6 Torr to prevent trapping of electrons ionized from the residual gas by the electrostatic quadrupoles. To meet this requirement the FBMs must have a leak rate of less than 5 ×10-5 Torr L/s. We have constructed a vacuum system to simulate these conditions and have determined the leak rate of the FBMs within the constructed vacuum apparatus. This leak rate will be reported, along with preliminary results from tests of the light output from the scintillating fibers. The muon g-2 experiment at Fermilab aims to measure the muon anomalous magnetic moment with a precision of 0.14 parts per million (ppm). The measurement will build on the Brookhaven-based E821 experiment, which yielded results suggesting new physics such as supersymmetry. The Fiber Beam Monitors (FBMs) are used in the experiment to determine the position and observe the motion of a muon beam and monitor the properties of the beam over time. The FBMs support a 9 cm × 8 cm ``harp'' with 7 scintillating fibers separated from each other by 13 mm, each with a diameter of 0.5 mm. The experiment requires a vacuum of less than 1 ×10-6 Torr to prevent trapping of electrons ionized from the residual gas by the electrostatic quadrupoles. To meet this requirement the FBMs must have a leak rate of less than 5 ×10-5 Torr L/s. We have constructed a vacuum system to simulate these conditions and have determined the leak rate of the FBMs within the constructed vacuum apparatus. This leak rate will be reported, along with preliminary results from tests of the light output from the scintillating fibers. This material is based upon work supported by the National Science Foundation under Grant No. PHY-1206039.

Simulation of a 3D MOT-Optical Molasses Hybrid for Potassium-41 Atoms

NASA Astrophysics Data System (ADS)

Peterson, W. A.; Wrubel, Jonathan

2017-04-01

We report a design and numerical model for a 3D magneto-optical trap (MOT)-optical molasses hybrid for potassium-41 atoms. In this arrangement, the usual quadrupole magnetic field is replaced by an octupole field. The octupole field has a central region of very low magnetic field where our simulations show that the atoms experience an optical molasses, resulting in sub-doppler cooling not possible in a quadrupole MOT. The simulations also show that the presence of the magneto-optical trapping force at the edge of the cooling beams provides a restoring force which cycles atoms through the molasses region. We plan to use this hybrid trap to directly load a far off-resonance optical dipole trap. Because the atoms are recycled for multiple passes through the molasses, we expect a higher phase-space density of atoms loaded into the dipole trap. Similar hybrid cooling schemes should be relevant for lithium-6 and lithium-7, which also have poorly resolved D2 hyperfine structure. Research Corporation for Science Advancement, Cottrell College Science Award.

Investigation of metal ligand affinities of atom transfer radical polymerization catalysts with a quadrupole ion trap.

PubMed

di Lena, Fabio; Matyjaszewski, Krzysztof

2009-11-07

An electrospray ionization mass spectrometer equipped with a quadrupole ion trap as the mass analyzer provided a powerful tool for the investigation of metal ligand affinities of catalysts for atom transfer radical polymerization. It allowed, in particular, (i) the identification, in a library of ligands, of the most stable, and thus active, copper catalysts; (ii) the assessment of the effects of the reaction medium on the relative stabilities of the catalyst complexes; and (iii) the evaluation of the influence of the nature of the ligand on both the complex halogenophilicity and the metal-ligand stabilities in the gas-phase.

A trapped mercury 199 ion frequency standard

NASA Technical Reports Server (NTRS)

Cutler, L. S.; Giffard, R. P.; Mcguire, M. D.

1982-01-01

Mercury 199 ions confined in an RF quadrupole trap and optically pumped by mercury 202 ion resonance light are investigated as the basis for a high performance frequency standard with commercial possibilities. Results achieved and estimates of the potential performance of such a standard are given.

An energy-filtering device coupled to a quadrupole mass spectrometer for soft-landing molecular ions on surfaces with controlled energy

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

Bodin, A.; Laloo, R.; Abeilhou, P.

2013-09-15

We have developed an energy-filtering device coupled to a quadrupole mass spectrometer to deposit ionized molecules on surfaces with controlled energy in ultra high vacuum environment. Extensive numerical simulations as well as direct measurements show that the ion beam flying out of a quadrupole exhibits a high-energy tail decreasing slowly up to several hundred eV. This energy distribution renders impossible any direct soft-landing deposition of molecular ions. To remove this high-energy tail by energy filtering, a 127° electrostatic sector and a specific triplet lenses were designed and added after the last quadrupole of a triple quadrupole mass spectrometer. The resultsmore » obtained with this energy-filtering device show clearly the elimination of the high-energy tail. The ion beam that impinges on the sample surface satisfies now the soft-landing criterion for molecular ions, opening new research opportunities in the numerous scientific domains involving charges adsorbed on insulating surfaces.« less

Hybrid quadrupole mass filter/quadrupole ion trap/time-of-flight-mass spectrometer for infrared multiple photon dissociation spectroscopy of mass-selected ions

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

Gulyuz, Kerim; Stedwell, Corey N.; Wang Da

2011-05-15

We present a laboratory-constructed mass spectrometer optimized for recording infrared multiple photon dissociation (IRMPD) spectra of mass-selected ions using a benchtop tunable infrared optical parametric oscillator/amplifier (OPO/A). The instrument is equipped with two ionization sources, an electrospray ionization source, as well as an electron ionization source for troubleshooting. This hybrid mass spectrometer is composed of a quadrupole mass filter for mass selection, a reduced pressure ({approx}10{sup -5} Torr) quadrupole ion trap (QIT) for OPO irradiation, and a reflectron time-of-flight drift tube for detecting the remaining precursor and photofragment ions. A helium gas pulse is introduced into the QIT to temporarilymore » increase the pressure and hence enhance the trapping efficiency of axially injected ions. After a brief pump-down delay, the compact ion cloud is subjected to the focused output from the continuous wave OPO. In a recent study, we implemented this setup in the study of protonated tryptophan, TrpH{sup +}, as well as collision-induced dissociation products of this protonated amino acid [W. K. Mino, Jr., K. Gulyuz, D. Wang, C. N. Stedwell, and N. C. Polfer, J. Phys. Chem. Lett. 2, 299 (2011)]. Here, we give a more detailed account on the figures of merit of such IRMPD experiments. The appreciable photodissociation yields in these measurements demonstrate that IRMPD spectroscopy of covalently bound ions can be routinely carried out using benchtop OPO setups.« less

Optically detected, single nanoparticle mass spectrometer with pre-filtered electrospray nanoparticle source

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

Howder, Collin R.; Bell, David M.; Anderson, Scott L.

2014-01-15

An instrument designed for non-destructive mass analysis of single trapped nanoparticles is described. The heart of the instrument is a 3D quadrupole (Paul) trap constructed to give optical access to the trap center along ten directions, allowing passage of lasers for particle heating and detection, particle injection, collection of scattered or fluorescent photons for particle detection and mass analysis, and collection of particles on TEM grids for analysis, as needed. Nanoparticles are injected using an electrospray ionization (ESI) source, and conditions are described for spraying and trapping polymer particles, bare metal particles, and ligand stabilized particles with masses ranging frommore » 200 kDa to >3 GDa. Conditions appropriate to ESI and injection of different types of particles are described. The instrument is equipped with two ion guides separating the ESI source and nanoparticle trap. The first ion guide is mostly to allow desolvation and differential pumping before the particles enter the trap section of the instrument. The second is a linear quadrupole guide, which can be operated in mass selective or mass band-pass modes to limit transmission to species with mass-to-charge ratios in the range of interest. With a little experience, the design allows injection of single particles into the trap upon demand.« less

Design of blade-shaped-electrode linear ion traps with reduced anharmonic contributions

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

Deng, K.; Che, H.; Ge, Y. P.

2015-09-21

RF quadrupole linear Paul traps are versatile tools in quantum physics experiments. Linear Paul traps with blade-shaped electrodes have the advantages of larger solid angles for fluorescence collection. But with these kinds of traps, the existence of higher-order anharmonic terms of the trap potentials can cause large heating rate for the trapped ions. In this paper, we theoretically investigate the dependence of higher-order terms of trap potentials on the geometry of blade-shaped traps, and offer an optimized design. A modified blade electrodes trap is proposed to further reduce higher-order anharmonic terms while still retaining large fluorescence collection angle.

Electrostatic atomization--Experiment, theory and industrial applications

NASA Astrophysics Data System (ADS)

Okuda, H.; Kelly, Arnold J.

1996-05-01

Experimental and theoretical research has been initiated at the Princeton Plasma Physics Laboratory on the electrostatic atomization process in collaboration with Charged Injection Corporation. The goal of this collaboration is to set up a comprehensive research and development program on the electrostatic atomization at the Princeton Plasma Physics Laboratory so that both institutions can benefit from the collaboration. Experimental, theoretical and numerical simulation approaches are used for this purpose. An experiment consisting of a capillary sprayer combined with a quadrupole mass filter and a charge detector was installed at the Electrostatic Atomization Laboratory to study fundamental properties of the charged droplets such as the distribution of charges with respect to the droplet radius. In addition, a numerical simulation model is used to study interaction of beam electrons with atmospheric pressure water vapor, supporting an effort to develop an electrostatic water mist fire-fighting nozzle.

Ferroelectric nanotraps for polar molecules

NASA Astrophysics Data System (ADS)

Dutta, Omjyoti; Giedke, G.

2018-02-01

We propose and analyze an electrostatic-optical nanoscale trap for cold diatomic polar molecules. The main ingredient of our proposal is a square array of ferroelectric nanorods with alternating polarization. We show that, in contrast to electrostatic traps using the linear Stark effect, a quadratic Stark potential supports long-lived trapped states. The molecules are kept at a fixed height from the nanorods by a standing-wave optical dipole trap. For the molecules and materials considered, we find nanotraps with trap frequency up to 1 MHz, ground-state width ˜20 nm with lattice periodicity of ˜200 nm . Analyzing the loss mechanisms due to nonadiabaticity, surface-induced radiative transitions, and laser-induced transitions, we show the existence of trapped states with lifetime ˜1 s , competitive with current traps created via optical mechanisms. As an application we extend our discussion to a one-dimensional (1D) array of nanotraps to simulate a long-range spin Hamiltonian in our structure.

Microfluidic quadrupole and floating concentration gradient.

PubMed

Qasaimeh, Mohammad A; Gervais, Thomas; Juncker, David

2011-09-06

The concept of fluidic multipoles, in analogy to electrostatics, has long been known as a particular class of solutions of the Navier-Stokes equation in potential flows; however, experimental observations of fluidic multipoles and of their characteristics have not been reported yet. Here we present a two-dimensional microfluidic quadrupole and a theoretical analysis consistent with the experimental observations. The microfluidic quadrupole was formed by simultaneously injecting and aspirating fluids from two pairs of opposing apertures in a narrow gap formed between a microfluidic probe and a substrate. A stagnation point was formed at the centre of the microfluidic quadrupole, and its position could be rapidly adjusted hydrodynamically. Following the injection of a solute through one of the poles, a stationary, tunable, and movable-that is, 'floating'-concentration gradient was formed at the stagnation point. Our results lay the foundation for future combined experimental and theoretical exploration of microfluidic planar multipoles including convective-diffusive phenomena.

On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library: 2. Optimization and characterization of the search algorithm.

PubMed

Oberacher, Herbert; Pavlic, Marion; Libiseller, Kathrin; Schubert, Birthe; Sulyok, Michael; Schuhmacher, Rainer; Csaszar, Edina; Köfeler, Harald C

2009-04-01

A sophisticated matching algorithm developed for highly efficient identity search within tandem mass spectral libraries is presented. For the optimization of the search procedure a collection of 410 tandem mass spectra corresponding to 22 compounds was used. The spectra were acquired in three different laboratories on four different instruments. The following types of tandem mass spectrometric instruments were used: quadrupole-quadrupole-time-of-flight (QqTOF), quadrupole-quadrupole-linear ion trap (QqLIT), quadrupole-quadrupole-quadrupole (QqQ), and linear ion trap-Fourier transform ion cyclotron resonance mass spectrometer (LIT-FTICR). The obtained spectra were matched to an established MS/MS-spectral library that contained 3759 MS/MS-spectra corresponding to 402 different reference compounds. All 22 test compounds were part of the library. A dynamic intensity cut-off, the search for neutral losses, and optimization of the formula used to calculate the match probability were shown to significantly enhance the performance of the presented library search approach. With the aid of these features the average number of correct assignments was increased to 98%. For statistical evaluation of the match reliability the set of fragment ion spectra was extended with 300 spectra corresponding to 100 compounds not included in the reference library. Performance was checked with the aid of receiver operating characteristic (ROC) curves. Using the magnitude of the match probability as well as the precursor ion mass as benchmarks to rate the obtained top hit, overall correct classification of a compound being included or not included in the mass spectrometric library, was obtained in more than 95% of cases clearly indicating a high predictive accuracy of the established matching procedure. Copyright (c) 2009 John Wiley & Sons, Ltd.

It's a Trap! A Review of MOMA and Other Ion Traps in Space or Under Development

NASA Technical Reports Server (NTRS)

Arevalo, R., Jr.; Brinckerhoff, W. B.; Mahaffy, P. R.; van Amerom, F. H. W.; Danell, R. M.; Pinnick, V. T.; Li, X.; Hovmand, L.; Getty, S. A.; Goesmann, F.;

Miniaturized GC/MS instrumentation for in situ measurements: micro gas chromatography coupled with miniature quadrupole array and paul ion trap mass spectrometers

NASA Technical Reports Server (NTRS)

Holland, P.; Chutjian, A.; Darrach, M.; Orient, O.

2002-01-01

Miniaturized chemical instrumentation is needed for in situ measurements in planetary exploration and other spaceflight applications where factors such as reduction in payload requirements and enhanced robustness are important. In response to this need, we are 'continuing to develop miniaturized GC/MS instrumentation which combines chemical separations by gas chromatography (GC) with mass spectrometry (MS) to provide positive identification of chemical compounds in complex mixtures of gases, such as those found in the International Space Station's cabin atmosphere. Our design approach utilizes micro gas chromatography components coupled with either a miniature quadrupole mass spectrometer array (QMSA) or compact, high-resolution Paul ion trap.

Measuring masses of large biomolecules and bioparticles using mass spectrometric techniques.

PubMed

Peng, Wen-Ping; Chou, Szu-Wei; Patil, Avinash A

2014-07-21

Large biomolecules and bioparticles play a vital role in biology, chemistry, biomedical science and physics. Mass is a critical parameter for the characterization of large biomolecules and bioparticles. To achieve mass analysis, choosing a suitable ion source is the first step and the instruments for detecting ions, mass analyzers and detectors should also be considered. Abundant mass spectrometric techniques have been proposed to determine the masses of large biomolecules and bioparticles and these techniques can be divided into two categories. The first category measures the mass (or size) of intact particles, including single particle quadrupole ion trap mass spectrometry, cell mass spectrometry, charge detection mass spectrometry and differential mobility mass analysis; the second category aims to measure the mass and tandem mass of biomolecular ions, including quadrupole ion trap mass spectrometry, time-of-flight mass spectrometry, quadrupole orthogonal time-of-flight mass spectrometry and orbitrap mass spectrometry. Moreover, algorithms for the mass and stoichiometry assignment of electrospray mass spectra are developed to obtain accurate structure information and subunit combinations.

Implementation of dipolar direct current (DDC) collision-induced dissociation in storage and transmission modes on a quadrupole/time-of-flight tandem mass spectrometer.

PubMed

Webb, Ian K; Londry, Frank A; McLuckey, Scott A

2011-09-15

Means for effecting dipolar direct current collision-induced dissociation (DDC CID) on a quadrupole/time-of-flight in a mass spectrometer have been implemented for the broadband dissociation of a wide range of analyte ions. The DDC fragmentation method in electrodynamic storage and transmission devices provides a means for inducing fragmentation of ions over a large mass-to-charge range simultaneously. It can be effected within an ion storage step in a quadrupole collision cell that is operated as a linear ion trap or as ions are continuously transmitted through the collision cell. A DDC potential is applied across one pair of rods in the quadrupole collision cell of a QqTOF hybrid mass spectrometer to effect fragmentation. In this study, ions derived from a small drug molecule, a model peptide, a small protein, and an oligonucleotide were subjected to the DDC CID method in either an ion trapping or an ion transmission mode (or both). Several key experimental parameters that affect DDC CID results, such as time, voltage, low mass cutoff, and bath gas pressure, are illustrated with protonated leucine enkephalin. The DDC CID dissociation method gives a readily tunable, broadband tool for probing the primary structures of a wide range of analyte ions. The method provides an alternative to the narrow resonance conditions of conventional ion trap CID and it can access more extensive sequential fragmentation, depending upon conditions. The DDC CID approach constitutes a collision analog to infrared multiphoton dissociation (IRMPD). Copyright © 2011 John Wiley & Sons, Ltd.

Angular trapping of anisometric nano-objects in a fluid.

PubMed

Celebrano, Michele; Rosman, Christina; Sönnichsen, Carsten; Krishnan, Madhavi

2012-11-14

We demonstrate the ability to trap, levitate, and orient single anisometric nanoscale objects with high angular precision in a fluid. An electrostatic fluidic trap confines a spherical object at a spatial location defined by the minimum of the electrostatic system free energy. For an anisometric object and a potential well lacking angular symmetry, the system free energy can further strongly depend on the object's orientation in the trap. Engineering the morphology of the trap thus enables precise spatial and angular confinement of a single levitating nano-object, and the process can be massively parallelized. Since the physics of the trap depends strongly on the surface charge of the object, the method is insensitive to the object's dielectric function. Furthermore, levitation of the assembled objects renders them amenable to individual manipulation using externally applied optical, electrical, or hydrodynamic fields, raising prospects for reconfigurable chip-based nano-object assemblies.

The electrostatic fluidic trap: a new approach to the spatial control and manipulation of matter at the nanometer scale (presentation video)

NASA Astrophysics Data System (ADS)

Krishnan, Madhavi

2014-09-01

I will describe a new technique to trap matter at the nanometer scale in fluids. Rather than apply external fields to the object of interest, our approach relies on spatial tailoring of the interaction between an object and its neighbouring surfaces in order to create spatial potential minima in three dimensions. We demonstrate how the strong and long-ranged electrostatic interaction can be modulated by tailoring substrate geometry to achieve stable spatial trapping of charged objects, as small as single proteins in solution.

Adaptation of a 3-D Quadrupole Ion Trap for Dipolar DC Collisional Activation

PubMed Central

Prentice, Boone M.; Santini, Robert E.; McLuckey, Scott A.

2011-01-01

Means to allow for the application of a dipolar DC pulse to the end-cap electrodes of a three-dimensional (3-D) quadrupole ion trap for as short as a millisecond to as long as hundreds of milliseconds are described. The implementation of dipolar DC does not compromise the ability to apply AC waveforms to the end-cap electrodes at other times in the experiment. Dipolar DC provides a nonresonant means for ion acceleration by displacing ions from the center of the ion trap where they experience stronger rf electric fields, which increases the extent of micro-motion. The evolution of the product ion spectrum to higher generation products with time, as shown using protonated leucine enkephalin as a model protonated peptide, illustrates the broad-band nature of the activation. Dipolar DC activation is also shown to be effective as an ion heating approach in mimicking high amplitude short time excitation (HASTE)/pulsed Q dissociation (PQD) resonance excitation experiments that are intended to enhance the likelihood for observing low m/z products in ion trap tandem mass spectrometry. PMID:21953251

A simple derivation for amplitude and time period of charged particles in an electrostatic bathtub potential

NASA Astrophysics Data System (ADS)

Prathap Reddy, K.

2016-11-01

An ‘electrostatic bathtub potential’ is defined and analytical expressions for the time period and amplitude of charged particles in this potential are obtained and compared with simulations. These kinds of potentials are encountered in linear electrostatic ion traps, where the potential along the axis appears like a bathtub. Ion traps are used in basic physics research and mass spectrometry to store ions; these stored ions make oscillatory motion within the confined volume of the trap. Usually these traps are designed and studied using ion optical software, but in this work the bathtub potential is reproduced by making two simple modifications to the harmonic oscillator potential. The addition of a linear ‘k 1|x|’ potential makes the simple harmonic potential curve steeper with a sharper turn at the origin, while the introduction of a finite-length zero potential region at the centre reproduces the flat region of the bathtub curve. This whole exercise of modelling a practical experimental situation in terms of a well-known simple physics problem may generate interest among readers.

Theory of Nuclear Quadrupole Interactions in the Chemical Ferromagnet p-Cl-Ph-CH-N=TEMPO

NASA Astrophysics Data System (ADS)

Briere, Tina M.; Jeong, Junho; Sahoo, N.; Das, T. P.; Ohira, S.; Nishiyama, K.; Nagamine, K.

2002-03-01

The study(Junho Jeong et al., Physica B 289-290, 132 (2000).) of the magnetic hyperfine properties of chemical ferromagnets provides valuable information about the electronic spin distributions in the individual molecules. Insights into the electronic charge distributions and their anisotropy can be obtained from electric quadrupole interactions for the different nuclei in these systems. For this purpose we have studied the nuclear quadrupole interactions(T. P. Das and E. L. Hahn "Nuclear Quadrupole Resonance Spectroscopy", Academic Press Inc., New York, 1958.) for the 14^N nuclei in the NO group and the bridge nitrogen, the 17^O nucleus in the NO group and the 35^Cl nucleus in the p-Cl-Ph-CH-N=TEMPO system both by itself and in the presence of trapped μ and Mu. Comparison will be made between our results and available experimental quadrupole coupling constant (e^2qQ) and asymmetry parameter (η) data.

Production of large Bose-Einstein condensates in a magnetic-shield-compatible hybrid trap

NASA Astrophysics Data System (ADS)

Colzi, Giacomo; Fava, Eleonora; Barbiero, Matteo; Mordini, Carmelo; Lamporesi, Giacomo; Ferrari, Gabriele

2018-05-01

We describe the production of large 23Na Bose-Einstein condensates in a hybrid trap characterized by a weak magnetic field quadrupole and a tightly focused infrared beam. The use of small magnetic field gradients makes the trap compatible with the state-of-the-art magnetic shields. By taking advantage of the deep cooling and high efficiency of gray molasses to improve the initial trap loading conditions, we produce condensates composed of as many as 7 million atoms in less than 30 s .

Nuclear quadrupole resonance studies project. [spectrometer design and spectrum analysis

NASA Technical Reports Server (NTRS)

Murty, A. N.

1978-01-01

The participation of undergraduates in nuclear quadrupole resonance research at Grambling University was made possible by NASA grants. Expanded laboratory capabilities include (1) facilities for high and low temperature generation and measurement; (2) facilities for radio frequency generation and measurement with the modern spectrum analyzers, precision frequency counters and standard signal generators; (3) vacuum and glass blowing facilities; and (4) miscellaneous electronic and machine shop facilities. Experiments carried out over a five year period are described and their results analyzed. Theoretical studies on solid state crystalline electrostatic fields, field gradients, and antishielding factors are included.

Rapid Quantification of Four Anthocyanins in Red Grape Wine by Hydrophilic Interaction Liquid Chromatography/Triple Quadrupole Linear Ion Trap Mass Spectrometry.

PubMed

Sun, Yongming; Xia, Biqi; Chen, Xiangzhun; Duanmu, Chuansong; Li, Denghao; Han, Chao

2015-01-01

The identification and quantification of four anthocyanins (cyanidin-3-O-glucoside, peonidin-3-O-glucoside, delphinidin-3-O-glucoside, and malvidin-3-O-glucoside) in red grape wine were carried out by hydrophilic interaction liquid chromatography/triple quadrupole linear ion trap MS (HILIC/QTrap-MS/MS). Samples were diluted directly and separated on a Merck ZIC HILIC column with 20 mM ammonium acetate solution-acetonitrile mobile phase. Quantitative data acquisition was carried out in the multiple reaction monitoring mode. Additional identification and confirmation of target compounds were performed using the enhanced product ion mode of the linear ion trap. The LOQs were in the range 0.05-1.0 ng/mL. The average recoveries were in the range 94.6 to 104.5%. The HILIC/QTrap-MS/MS platform offers the best sensitivity and specificity for characterization and quantitative determination of the four anthocyanins in red grape wines and fulfills the quality criteria for routine laboratory application.

Technical developments for an upgrade of the LEBIT Penning trap mass spectrometry facility for rare isotopes

NASA Astrophysics Data System (ADS)

Redshaw, M.; Barquest, B. R.; Bollen, G.; Bustabad, S. E.; Campbell, C. M.; Ferrer, R.; Gehring, A.; Kwiatkowski, A. A.; Lincoln, D. L.; Morrissey, D. J.; Pang, G. K.; Ringle, R.; Schwarz, S.

2011-07-01

The LEBIT (Low Energy Beam and Ion Trap) facility is the only Penning trap mass spectrometry (PTMS) facility to utilize rare isotopes produced via fast-beam fragmentation. This technique allows access to practically all elements lighter than uranium, and in particular enables the production of isotopes that are not available or that are difficult to obtain at isotope separation on-line facilities. The preparation of the high-energy rare-isotope beam produced by projectile fragmentation for low-energy PTMS experiments is achieved by gas stopping to slow down and thermalize the fast-beam ions, along with an rf quadrupole cooler and buncher and rf quadrupole ion guides to deliver the beam to the Penning trap. During its first phase of operation LEBIT has been very successful, and new developments are now underway to access rare isotopes even farther from stability, which requires dealing with extremely short lifetimes and low production rates. These developments aim at increasing delivery efficiency, minimizing delivery and measurement time, and maximizing use of available beam time. They include an upgrade to the gas-stopping station, active magnetic field monitoring and stabilization by employing a miniature Penning trap as a magnetometer, the use of stored waveform inverse Fourier transform (SWIFT) to most effectively remove unwanted ions, and charge breeding.

Gas-phase ion-molecule reactions for the identification of the sulfone functionality in protonated analytes in a linear quadrupole ion trap mass spectrometer.

PubMed

Tang, Weijuan; Sheng, Huaming; Kong, John Y; Yerabolu, Ravikiran; Zhu, Hanyu; Max, Joann; Zhang, Minli; Kenttämaa, Hilkka I

2016-06-30

The oxidation of sulfur atoms is an important biotransformation pathway for many sulfur-containing drugs. In order to rapidly identify the sulfone functionality in drug metabolites, a tandem mass spectrometric method based on ion-molecule reactions was developed. A phosphorus-containing reagent, trimethyl phosphite (TMP), was allowed to react with protonated analytes with various functionalities in a linear quadrupole ion trap mass spectrometer. The reaction products and reaction efficiencies were measured. Only protonated sulfone model compounds were found to react with TMP to form a characteristic [TMP adduct-MeOH] product ion. All other protonated compounds investigated, with functionalities such as sulfoxide, N-oxide, hydroxylamino, keto, carboxylic acid, and aliphatic and aromatic amino, only react with TMP via proton transfer and/or addition. The specificity of the reaction was further demonstrated by using a sulfoxide-containing anti-inflammatory drug, sulindac, as well as its metabolite sulindac sulfone. A method based on functional group-selective ion-molecule reactions in a linear quadrupole ion trap mass spectrometer has been demonstrated for the identification of the sulfone functionality in protonated analytes. A characteristic [TMP adduct-MeOH] product ion was only formed for the protonated sulfone analytes. The applicability of the TMP reagent in identifying sulfone functionalities in drug metabolites was also demonstrated. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Applicability of hybrid linear ion trap-high resolution mass spectrometry and quadrupole-linear ion trap-mass spectrometry for mycotoxin analysis in baby food.

PubMed

Rubert, Josep; James, Kevin J; Mañes, Jordi; Soler, Carla

2012-02-03

Recent developments in mass spectrometers have created a paradoxical situation; different mass spectrometers are available, each of them with their specific strengths and drawbacks. Hybrid instruments try to unify several advantages in one instrument. In this study two of wide-used hybrid instruments were compared: hybrid quadrupole-linear ion trap-mass spectrometry (QTRAP®) and the hybrid linear ion trap-high resolution mass spectrometry (LTQ-Orbitrap®). Both instruments were applied to detect the presence of 18 selected mycotoxins in baby food. Analytical parameters were validated according to 2002/657/CE. Limits of quantification (LOQs) obtained by QTRAP® instrument ranged from 0.45 to 45 μg kg⁻¹ while lower limits of quantification (LLOQs) values were obtained by LTQ-Orbitrap®: 7-70 μg kg⁻¹. The correlation coefficients (r) in both cases were upper than 0.989. These values highlighted that both instruments were complementary for the analysis of mycotoxin in baby food; while QTRAP® reached best sensitivity and selectivity, LTQ-Orbitrap® allowed the identification of non-target and unknowns compounds. Copyright © 2011 Elsevier B.V. All rights reserved.

Development of a Tandem-Electrostatic-Quadrupole facility for Accelerator-Based Boron Neutron Capture Therapy.

PubMed

Kreiner, A J; Castell, W; Di Paolo, H; Baldo, M; Bergueiro, J; Burlon, A A; Cartelli, D; Vento, V Thatar; Kesque, J M; Erhardt, J; Ilardo, J C; Valda, A A; Debray, M E; Somacal, H R; Sandin, J C Suarez; Igarzabal, M; Huck, H; Estrada, L; Repetto, M; Obligado, M; Padulo, J; Minsky, D M; Herrera, M; Gonzalez, S J; Capoulat, M E

2011-12-01

We describe the present status of an ongoing project to develop a Tandem-ElectroStatic-Quadrupole (TESQ) accelerator facility for Accelerator-Based (AB)-BNCT. The project final goal is a machine capable of delivering 30 mA of 2.4 MeV protons to be used in conjunction with a neutron production target based on the (7)Li(p,n)(7)Be reaction. The machine currently being constructed is a folded TESQ with a high-voltage terminal at 0.6 MV. We report here on the progress achieved in a number of different areas. Copyright © 2011 Elsevier Ltd. All rights reserved.

Highly Dynamic Anion-Quadrupole Networks in Proteins.

PubMed

Kapoor, Karan; Duff, Michael R; Upadhyay, Amit; Bucci, Joel C; Saxton, Arnold M; Hinde, Robert J; Howell, Elizabeth E; Baudry, Jerome

2016-11-01

The dynamics of anion-quadrupole (or anion-π) interactions formed between negatively charged (Asp/Glu) and aromatic (Phe) side chains are for the first time computationally characterized in RmlC (Protein Data Bank entry 1EP0 ), a homodimeric epimerase. Empirical force field-based molecular dynamics simulations predict anion-quadrupole pairs and triplets (anion-anion-π and anion-π-π) are formed by the protein during the simulated trajectory, which suggests that the anion-quadrupole interactions may provide a significant contribution to the overall stability of the protein, with an average of -1.6 kcal/mol per pair. Some anion-π interactions are predicted to form during the trajectory, extending the number of anion-quadrupole interactions beyond those predicted from crystal structure analysis. At the same time, some anion-π pairs observed in the crystal structure exhibit marginal stability. Overall, most anion-π interactions alternate between an "on" state, with significantly stabilizing energies, and an "off" state, with marginal or null stabilizing energies. The way proteins possibly compensate for transient loss of anion-quadrupole interactions is characterized in the RmlC aspartate 84-phenylalanine 112 anion-quadrupole pair observed in the crystal structure. A double-mutant cycle analysis of the thermal stability suggests a possible loss of anion-π interactions compensated by variations of hydration of the residues and formation of compensating electrostatic interactions. These results suggest that near-planar anion-quadrupole pairs can exist, sometimes transiently, which may play a role in maintaining the structural stability and function of the protein, in an otherwise very dynamic interplay of a nonbonded interaction network as well as solvent effects.

Cooling by spontaneous decay of highly excited antihydrogen atoms in magnetic traps.

PubMed

Pohl, T; Sadeghpour, H R; Nagata, Y; Yamazaki, Y

2006-11-24

An efficient cooling mechanism of magnetically trapped, highly excited antihydrogen (H) atoms is presented. This cooling, in addition to the expected evaporative cooling, results in trapping of a large number of H atoms in the ground state. It is found that the final fraction of trapped atoms is insensitive to the initial distribution of H magnetic quantum numbers. Expressions are derived for the cooling efficiency, demonstrating that magnetic quadrupole (cusp) traps provide stronger cooling than higher order magnetic multipoles. The final temperature of H confined in a cusp trap is shown to depend as approximately 2.2T(n0)n(0)(-2/3) on the initial Rydberg level n0 and temperature T(n0).

Multipole electrodynamic ion trap geometries for microparticle confinement under standard ambient temperature and pressure conditions

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

Mihalcea, Bogdan M., E-mail: bogdan.mihalcea@inflpr.ro; Vişan, Gina T.; Ganciu, Mihai

2016-03-21

Trapping of microparticles and aerosols is of great interest for physics and chemistry. We report microparticle trapping in case of multipole linear Paul trap geometries, operating under standard ambient temperature and pressure conditions. An 8- and 12-electrode linear trap geometries have been designed and tested with an aim to achieve trapping for larger number of particles and to study microparticle dynamical stability in electrodynamic fields. We report emergence of planar and volume ordered structures of microparticles, depending on the a.c. trapping frequency and particle specific charge ratio. The electric potential within the trap is mapped using the electrolytic tank method.more » Particle dynamics is simulated using a stochastic Langevin equation. We emphasize extended regions of stable trapping with respect to quadrupole traps, as well as good agreement between experiment and numerical simulations.« less

Infrared laser dissociation of single megadalton polymer ions in a gated electrostatic ion trap: the added value of statistical analysis of individual events.

PubMed

Halim, Mohammad A; Clavier, Christian; Dagany, Xavier; Kerleroux, Michel; Dugourd, Philippe; Dunbar, Robert C; Antoine, Rodolphe

2018-05-07

In this study, we report the unimolecular dissociation mechanism of megadalton SO 3 -containing poly(2-acrylamido-2-methyl-1-propanesulfonic acid) (PAMPS) polymer cations and anions with the aid of infrared multiphoton dissociation coupled to charge detection ion trap mass spectrometry. A gated electrostatic ion trap ("Benner trap") is used to store and detect single gaseous polymer ions generated by positive and negative polarity in an electrospray ionization source. The trapped ions are then fragmented due to the sequential absorption of multiple infrared photons produced from a continuous-wave CO 2 laser. Several fragmentation pathways having distinct signatures are observed. Highly charged parent ions characteristically adopt a distinctive "stair-case" pattern (assigned to the "fission" process) whereas low charge species take on a "funnel like" shape (assigned to the "evaporation" process). Also, the log-log plot of the dissociation rate constants as a function of laser intensity between PAMPS positive and negative ions is significantly different.

Nonlinear dissipative and dispersive electrostatic structures in unmagnetized relativistic electron-ion plasma with warm ions and trapped electrons

NASA Astrophysics Data System (ADS)

Masood, W.; Hamid, Naira; Ilyas, Iffat; Siddiq, M.

2017-06-01

In this paper, we have investigated electrostatic solitary and shock waves in an unmagnetized relativistic electron-ion (ei) plasma in the presence of warm ions and trapped electrons. In this regard, we have derived the trapped Korteweg-de Vries Burgers (TKdVB) equation using the small amplitude approximation method, which to the best of our knowledge has not been investigated in plasmas. Since the TKdVB equation involves fractional nonlinearity on account of trapped electrons, we have employed a smartly crafted extension of the tangent hyperbolic method and presented the solution of the TKdVB equation in this paper. The limiting cases of the TKdVB equation yield trapped Burgers (TB) and trapped Korteweg-de Vries (TKdV) equations. We have also presented the solutions of TB and TKdV equations. We have also explored how the plasma parameters affect the propagation characteristics of the nonlinear structures obtained for these modified nonlinear partial differential equations. We hope that the present work will open new vistas of research in the nonlinear plasma theory both in classical and quantum plasmas.

A Superconducting Magnet UCN Trap for Precise Neutron Lifetime Measurements.

PubMed

Picker, R; Altarev, I; Bröcker, J; Gutsmiedl, E; Hartmann, J; Müller, A; Paul, S; Schott, W; Trinks, U; Zimmer, O

2005-01-01

Finite-element methods along with Monte Carlo simulations were used to design a magnetic storage device for ultracold neutrons (UCN) to measure their lifetime. A setup was determined which should make it possible to confine UCN with negligible losses and detect the protons emerging from β-decay with high efficiency: stacked superconducting solenoids create the magnetic storage field, an electrostatic extraction field inside the storage volume assures high proton collection efficiency. Alongside with the optimization of the magnetic and electrostatic design, the properties of the trap were investigated through extensive Monte Carlo simulation.

An electrostatic glass actuator for ultrahigh vacuum: A rotating light trap for continuous beams of laser-cooled atoms.

PubMed

Füzesi, F; Jornod, A; Thomann, P; Plimmer, M D; Dudle, G; Moser, R; Sache, L; Bleuler, H

2007-10-01

This article describes the design, characterization, and performance of an electrostatic glass actuator adapted to an ultrahigh vacuum environment (10(-8) mbar). The three-phase rotary motor is used to drive a turbine that acts as a velocity-selective light trap for a slow continuous beam of laser-cooled atoms. This simple, compact, and nonmagnetic device should find applications in the realm of time and frequency metrology, as well as in other areas of atomic, molecular physics and elsewhere.

Measuring forces and dynamics for optically levitated 20μm PS particles in air using electrostatic modulation

NASA Astrophysics Data System (ADS)

Park, Haesung; LeBrun, Thomas W.

2015-08-01

We demonstrate the simultaneous measurement of optical trap stiffness and quadrant-cell photodetector (QPD) calibration of optically trapped polystyrene particle in air. The analysis is based on the transient response of particles, confined to an optical trap, subject to a pulsed electrostatic field generated by parallel indium tin oxide (ITO) coated substrates. The resonant natural frequency and damping were directly estimated by fitting the analytical solution of the transient response of an underdamped harmonic oscillator to the measured particle displacement from its equilibrium position. Because, the particle size was estimated independently with video microscopy, this approach allowed us to measure the optical force without ignoring the effects of inertia and temperature changes from absorption.

Electron Transfer Ion/Ion Reactions in a Three-Dimensional Quadrupole Ion Trap: Reactions of Doubly and Triply Protonated Peptides with SO2·−

PubMed Central

Pitteri, Sharon J.; Chrisman, Paul A.; Hogan, Jason M.; McLuckey, Scott A.

2005-01-01

Ion–ion reactions between a variety of peptide cations (doubly and triply charged) and SO2 anions have been studied in a 3-D quadrupole ion trap, resulting in proton and electron transfer. Electron transfer dissociation (ETD) gives many c- and z-type fragments, resulting in extensive sequence coverage in the case of triply protonated peptides with SO2·−. For triply charged neurotensin, in which a direct comparison can be made between 3-D and linear ion trap results, abundances of ETD fragments relative to one another appear to be similar. Reactions of doubly protonated peptides with SO2·− give much less structural information from ETD than triply protonated peptides. Collision-induced dissociation (CID) of singly charged ions formed in reactions with SO2·− shows a combination of proton and electron transfer products. CID of the singly charged species gives more structural information than ETD of the doubly protonated peptide, but not as much information as ETD of the triply protonated peptide. PMID:15762593

Evaluating Mass Analyzers as Candidates for Small, Portable, Rugged Single Point Mass Spectrometers for Analysis of Permanent Gases

NASA Technical Reports Server (NTRS)

Arkin, C. Richard; Ottens, Andrew K.; Diaz, Jorge A.; Griffin, Timothy P.; Follestein, Duke; Adams, Fredrick; Steinrock, T. (Technical Monitor)

2001-01-01

For Space Shuttle launch safety, there is a need to monitor the concentration of H2, He, O2 and Ar around the launch vehicle. Currently a large mass spectrometry system performs this task, using long transport lines to draw in samples. There is great interest in replacing this stationary system with several miniature, portable, rugged mass spectrometers which act as point sensors which can be placed at the sampling point. Five commercial and two non-commercial analyzers are evaluated. The five commercial systems include the Leybold Inficon XPR-2 linear quadrupole, the Stanford Research (SRS-100) linear quadrupole, the Ferran linear quadrupole array, the ThermoQuest Polaris-Q quadrupole ion trap, and the IonWerks Time-of-Flight (TOF). The non-commercial systems include a compact double focusing sector (CDFMS) developed at the University of Minnesota, and a quadrupole ion trap (UF-IT) developed at the University of Florida. The System Volume is determined by measuring the entire system volume including the mass analyzer, its associated electronics, the associated vacuum system, the high vacuum pump and rough pump. Also measured are any ion gauge controllers or other required equipment. Computers are not included. Scan Time is the time required for one scan to be acquired and the data to be transferred. It is determined by measuring the time required acquiring a known number of scans and dividing by said number of scans. Limit of Detection is determined first by performing a zero-span calibration (using a 10-point data set). Then the limit of detection (LOD) is defined as 3 times the standard deviation of the zero data set. (An LOD of 10 ppm or less is considered acceptable.)

Real-time quantitative analysis of H2, He, O2, and Ar by quadrupole ion trap mass spectrometry.

PubMed

Ottens, Andrew K; Harrison, W W; Griffin, Timothy P; Helms, William R

2002-09-01

The use of a quadrupole ion trap mass spectrometer (QITMS) for quantitative analysis of hydrogen and helium as well as of other permanent gases is demonstrated. Like commercial instruments, the customized QITMS uses mass selective instability; however, this instrument operates at a greater trapping frequency and without a buffer gas. Thus, a useable mass range from 2 to over 50 daltons (Da) is achieved. The performance of the ion trap is evaluated using part-per-million (ppm) concentrations of hydrogen, helium, oxygen, and argon mixed into a nitrogen gas stream, as outlined by the National Aeronautics and Space Administration (NASA), which is interested in monitoring for cryogenic fuel leaks within the Space Shuttle during launch preparations. When quantitating the four analytes, relative accuracy and precision were better than the NASA-required minimum of 10% error and 5% deviation, respectively. Limits of detection were below the NASA requirement of 25-ppm hydrogen and 100-ppm helium; those for oxygen and argon were within the same order of magnitude as the requirements. These results were achieved at a fast data recording rate, and demonstrate the utility of the QITMS as a real-time quantitative monitoring device for permanent gas analysis. c. 2002 American Society for Mass Spectrometry.

Variable energy constant current accelerator structure

DOEpatents

Anderson, Oscar A.

1990-01-01

A variable energy, constant current ion beam accelerator structure is disclosed comprising an ion source capable of providing the desired ions, a pre-accelerator for establishing an initial energy level, a matching/pumping module having means for focusing means for maintaining the beam current, and at least one main accelerator module for continuing beam focus, with means capable of variably imparting acceleration to the beam so that a constant beam output current is maintained independent of the variable output energy. In a preferred embodiment, quadrupole electrodes are provided in both the matching/pumping module and the one or more accelerator modules, and are formed using four opposing cylinder electrodes which extend parallel to the beam axis and are spaced around the beam at 90.degree. intervals with opposing electrodes maintained at the same potential. Adjacent cylinder electrodes of the quadrupole structure are maintained at different potentials to thereby reshape the cross section of the charged particle beam to an ellipse in cross section at the mid point along each quadrupole electrode unit in the accelerator modules. The beam is maintained in focus by alternating the major axis of the ellipse along the x and y axis respectively at adjacent quadrupoles. In another embodiment, electrostatic ring electrodes may be utilized instead of the quadrupole electrodes.

Tuneable complementary metamaterial structures based on graphene for single and multiple transparency windows

PubMed Central

Ding, Jun; Arigong, Bayaner; Ren, Han; Zhou, Mi; Shao, Jin; Lu, Meng; Chai, Yang; Lin, Yuankun; Zhang, Hualiang

2014-01-01

Novel graphene-based tunable plasmonic metamaterials featuring single and multiple transparency windows are numerically studied in this paper. The designed structures consist of a graphene layer perforated with quadrupole slot structures and dolmen-like slot structures printed on a substrate. Specifically, the graphene-based quadrupole slot structure can realize a single transparency window, which is achieved without breaking the structure symmetry. Further investigations have shown that the single transparency window in the proposed quadrupole slot structure is more likely originated from the quantum effect of Autler-Townes splitting. Then, by introducing a dipole slot to the quadrupole slot structure to form the dolmen-like slot structure, an additional transmission dip could occur in the transmission spectrum, thus, a multiple-transparency-window system can be achieved (for the first time for graphene-based devices). More importantly, the transparency windows for both the quadrupole slot and the dolmen-like slot structures can be dynamically controlled over a broad frequency range by varying the Fermi energy levels of the graphene layer (through electrostatic gating). The proposed slot metamaterial structures with tunable single and multiple transparency windows could find potential applications in many areas such as multiple-wavelength slow-light devices, active plasmonic switching, and optical sensing. PMID:25146672

Tuneable complementary metamaterial structures based on graphene for single and multiple transparency windows.

PubMed

Ding, Jun; Arigong, Bayaner; Ren, Han; Zhou, Mi; Shao, Jin; Lu, Meng; Chai, Yang; Lin, Yuankun; Zhang, Hualiang

2014-08-22

Novel graphene-based tunable plasmonic metamaterials featuring single and multiple transparency windows are numerically studied in this paper. The designed structures consist of a graphene layer perforated with quadrupole slot structures and dolmen-like slot structures printed on a substrate. Specifically, the graphene-based quadrupole slot structure can realize a single transparency window, which is achieved without breaking the structure symmetry. Further investigations have shown that the single transparency window in the proposed quadrupole slot structure is more likely originated from the quantum effect of Autler-Townes splitting. Then, by introducing a dipole slot to the quadrupole slot structure to form the dolmen-like slot structure, an additional transmission dip could occur in the transmission spectrum, thus, a multiple-transparency-window system can be achieved (for the first time for graphene-based devices). More importantly, the transparency windows for both the quadrupole slot and the dolmen-like slot structures can be dynamically controlled over a broad frequency range by varying the Fermi energy levels of the graphene layer (through electrostatic gating). The proposed slot metamaterial structures with tunable single and multiple transparency windows could find potential applications in many areas such as multiple-wavelength slow-light devices, active plasmonic switching, and optical sensing.

Study of the in vitro metabolism of TJ0711 using ultra high performance liquid chromatography with quadrupole time-of-flight and ultra fast liquid chromatography with quadrupole linear ion trap mass spectrometry.

PubMed

Hu, Lei; Lv, Zhenhua; Li, Gao; Xu, Xiaolong; Zhang, Chenghao; Cao, Peng; Huang, Jiangeng; Si, Luqin

2015-06-01

TJ0711 (1-[4-(2-methoxyethyl)phenoxy]-3-[2-(2-methoxyphenoxy)ethylamino]-2-propanol) is a novel β-adrenoreceptor blocker with vasodilating activity. The aim of this study was to investigate the in vitro metabolic properties of TJ0711 from both qualitative and quantitative aspects using mouse, rat, dog, and human liver microsomes as well as rat hepatocytes. Two modern liquid chromatography with tandem mass spectrometry systems, ultra high performance liquid chromatography with quadrupole time-of-flight mass spectrometry and ultra fast liquid chromatography with quadrupole linear ion trap mass spectrometry, were utilized for the analysis. To better characterize the metabolic pathways of TJ0711, two major metabolites were incubated under the same conditions as that for TJ0711. TJ0711 was extensively metabolized in vitro, and a total of 34 metabolites, including 19 phase I and 15 phase II metabolites, were identified. Similar metabolite profiles were observed among species, and demethylation, hydroxylation, carboxylic acid formation, and glucuronidation were proposed as the major metabolic routes. Significant interspecies differences were observed in the metabolic stability studies of TJ0711. Furthermore, gender differences were significant in mice, rats, and dogs, but were negligible in humans. The valuable information provided in this work will be useful in planning and interpreting further pharmacokinetic, in vivo metabolism and toxicological studies of this novel β-blocker. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Use of a Designed Peptide Array To Infer Dissociation Trends for Nontryptic Peptides in Quadrupole Ion Trap and Quadrupole Time-of-Flight Mass Spectrometry

DOE PAGES

Gaucher, Sara P.; Morrow, Jeffrey A.; Faulon, Jean-Loup M.

2007-09-14

Observed peptide gas-phase fragmentation patterns are a complex function of many variables. In order to systematically probe this phenomenon, an array of 40 peptides was synthesized for study. The array of sequences was designed to hold certain variables (peptide length) constant and randomize or balance others (peptide amino acid distribution and position). A high-quality tandem mass spectrometry (MS/MS) data set was acquired for each peptide for all observed charge states on multiple MS instruments, quadrupole-time-of-flight and quadrupole ion trap. The data were analyzed as a function of total charge state and number of mobile protons. Previously known dissociation trends weremore » observed, validating our approach. In addition, the general influence of basic amino acids on dissociation could be determined because, in contrast to the more widely studied tryptic peptides, the amino acids H, K, and R were positionally distributed. Interestingly, our results suggest that cleavage at all basic amino acids is suppressed when a mobile proton is available. Cleavage at H becomes favored only under conditions where a partially mobile proton is present, a caveat to the previously reported trend of enhanced cleavage at H. In conclusion, all acquired data were used as a benchmark to determine how well these sequences would have been identified in a database search using a common algorithm, Mascot.« less

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

Kleinert, J.; Haimberger, C.; Zabawa, P. J.

We describe the realization of a dc electric-field trap for ultracold polar molecules, the thin-wire electrostatic trap (TWIST). The thin wires that form the electrodes of the TWIST allow us to superimpose the trap onto a magneto-optical trap (MOT). In our experiment, ultracold polar NaCs molecules in their electronic ground state are created in the MOT via photoassociation, achieving a continuous accumulation in the TWIST of molecules in low-field seeking states. Initial measurements show that the TWIST trap lifetime is limited only by the background pressure in the chamber.

Modifying Operating Cycles to Increase Stability in a LITS

NASA Technical Reports Server (NTRS)

Burt, Eric; Tjoelker, Robert

2009-01-01

The short-term instability in the frequency of a linear-ion-trap frequency standard (LITS) can be reduced by modifying two cycles involved in its operation: (1) the bimodal (bright/dim) cycle of a plasma discharge lamp used for state preparation and detection and (2) a microwave-interrogation cycle. The purpose and effect of the modifications is to enable an increase in the microwave- interrogation cycle time, motivated by the general principle that the short-term uncertainty or instability decreases with increasing microwave-interrogation time. Stated from a slightly different perspective, the effect of modifications is to enable the averaged LITS readings to settle to their longterm stability over a shorter total observation time. The basic principles of a LITS were discussed in several NASA Tech Briefs articles. Here are recapitulated only those items of background information necessary to place the present modifications in context. A LITS includes a microwave local oscillator, the frequency of which is stabilized by comparison with the frequency of a ground-state hyperfine transition of Hg-199(+) ions. In a LITS of the type to which the modifications apply, the comparison involves a combination of optical and micro wave excitation and interrogation of the ions in two collinear ion traps: a quadrupole trap wherein the optical excitation used for state preparation and detection takes place, and a multipole (e.g., 12-pole) trap wherein the microwave interrogation of the clock transition takes place. The ions are initially loaded into the quadrupole trap and are thereafter shuttled between the two traps. This concludes the background information.

Study of Nonlinear Dynamics of Intense Charged Particle Beams in the Paul Trap Simulator Experiment

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

Wang, Hua

The Paul Trap Simulator Experiment (PTSX) is a compact laboratory device that simulates the nonlinear dynamics of intense charged particle beams propagating over a large distance in an alternating-gradient magnetic transport system. The radial quadrupole electric eld forces on the charged particles in the Paul Trap are analogous to the radial forces on the charged particles in the quadrupole magnetic transport system. The amplitude of oscillating voltage applied to the cylindrical electrodes in PTSX is equivalent to the quadrupole magnetic eld gradient in accelerators. The temporal periodicity in PTSX corresponds to the spatial periodicity in magnetic transport system. This thesismore » focuses on investigations of envelope instabilities and collective mode excitations, properties of high-intensity beams with significant space-charge effects, random noise-induced beam degradation and a laser-induced-fluorescence diagnostic. To better understand the nonlinear dynamics of the charged particle beams, it is critical to understand the collective processes of the charged particles. Charged particle beams support a variety of collective modes, among which the quadrupole mode and the dipole mode are of the greatest interest. We used quadrupole and dipole perturbations to excite the quadrupole and dipole mode respectively and study the effects of those collective modes on the charge bunch. The experimental and particle-in-cell (PIC) simulation results both show that when the frequency and the spatial structure of the external perturbation are matched with the corresponding collective mode, that mode will be excited to a large amplitude and resonates strongly with the external perturbation, usually causing expansion of the charge bunch and loss of particles. Machine imperfections are inevitable for accelerator systems, and we use random noise to simulate the effects of machine imperfection on the charged particle beams. The random noise can be Fourier decomposed into various frequency components and experimental results show that when the random noise has a large frequency component that matches a certain collective mode, the mode will also be excited and cause heating of the charge bunch. It is also noted that by rearranging the order of the random noise, the adverse effects of the random noise may be eliminated. As a non-destructive diagnostic method, a laser-induced- fluorescence (LIF) diagnostic is developed to study the transverse dynamics of the charged particle beams. The accompanying barium ion source and dye laser system are developed and tested.« less

Differentiation of regioisomeric aromatic ketocarboxylic acids by atmospheric pressure chemical ionization CAD tandem mass spectrometry in a linear quadrupole ion trap mass spectrometer

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

Amundson, Lucas M.; Owen, Ben C.; Gallardo, Vanessa A.

2011-01-01

Positive-mode atmospheric pressure chemical ionization tandem mass spectrometry (APCI-MS n ) was tested for the differentiation of regioisomeric aromatic ketocarboxylic acids. Each analyte forms exclusively an abundant protonated molecule upon ionization via positive-mode APCI in a commercial linear quadrupole ion trap (LQIT) mass spectrometer. Energy-resolved collision-activated dissociation (CAD) experiments carried out on the protonated analytes revealed fragmentation patterns that varied based on the location of the functional groups. Unambiguous differentiation between the regioisomers was achieved in each case by observing different fragmentation patterns, different relative abundances of ion-molecule reaction products, or different relative abundances of fragment ions formed at differentmore » collision energies. The mechanisms of some of the reactions were examined by H/D exchange reactions and molecular orbital calculations.« less

Electron Trapping and Charge Transport by Large Amplitude Whistlers

NASA Technical Reports Server (NTRS)

Kellogg, P. J.; Cattell, C. A.; Goetz, K.; Monson, S. J.; Wilson, L. B., III

2010-01-01

Trapping of electrons by magnetospheric whistlers is investigated using data from the Waves experiment on Wind and the S/WAVES experiment on STEREO. Waveforms often show a characteristic distortion which is shown to be due to electrons trapped in the potential of the electrostatic part of oblique whistlers. The density of trapped electrons is significant, comparable to that of the unperturbed whistler. Transport of these trapped electrons to new regions can generate potentials of several kilovolts, Trapping and the associated potentials may play an important role in the acceleration of Earth's radiation belt electrons.

Modified Penning-Malmberg Trap for Storing Antiprotons

NASA Technical Reports Server (NTRS)

Sims, William H.; Martin, James; Lewis, Raymond

2005-01-01

A modified Penning-Malmberg trap that could store a small cloud of antiprotons for a relatively long time (weeks) has been developed. This trap is intended for use in research on the feasibility of contemplated future matter/antimatter-annihilation systems as propulsion sources for spacecraft on long missions. This trap is also of interest in its own right as a means of storing and manipulating antiprotons for terrestrial scientific experimentation. The use of Penning-Malmberg traps to store antiprotons is not new. What is new here is the modified trap design, which utilizes state-of-the-art radiofrequency (RF) techniques, including ones that, heretofore, have been used in radio-communication applications but not in iontrap applications. A basic Penning-Malmberg trap includes an evacuated round tube that contains or is surrounded by three or more collinear tube electrodes. A steady axial magnetic field that reaches a maximum at the geometric center of the tube is applied by an external source, and DC bias voltages that give rise to an electrostatic potential that reaches a minimum at the center are applied to the electrodes. The combination of electric and magnetic fields confines the charged particles (ions or electrons) for which it was designed to a prolate spheroidal central region. However, geometric misalignments and the diffusive cooling process prevent the steady fields of a basic Penning- Malmberg trap from confining the particles indefinitely. In the modified Penning-Malmberg trap, the loss of antiprotons is reduced or eliminated by use of a "rotating-wall" RF stabilization scheme that also heats the antiproton cloud to minimize loss by matter/antimatter annihilation. The scheme involves the superposition of a quadrupole electric field that rotates about the cylindrical axis at a suitably chosen radio frequency. The modified Penning-Malmberg trap (see Figure 1) includes several collinear sets of electrodes inside a tubular vacuum chamber. Each set comprises either a single metal tube or else a tube that is segmented into four electrodes that subtend equal angles about the cylindrical axis. The output of an RF signal generator is fed through a 90 hybrid coupler and then through two baluns to generate four replicas of the signal at relative phase shifts of 0 , 90 , 180 , and 270 (see Figure 2). These signal replicas are fed through 6-dB directional couplers, then via coaxial cables to the vacuum chamber. The signal is then routed to a phase cancellation network, which filters out the drive signal with the difference representing the plasma interaction. Inside the vacuum chamber, twisted-pair wires feed the signals from the coaxial cables to the four electrodes of each segmented electrode tube.

Designing of a Quadrupole Paul Ion Trap

NASA Astrophysics Data System (ADS)

Kiyani, Abouzar; Abdollahzadeh, M.; Sadat Kiai, S. M.; Zirak, A. R.

2011-08-01

The ion motion equation in a Paul ion trap known as Mathieu differential equation has been solved for the first time by using Runge-Kutta methods with 4th, 6th, and 8th orders. The first stability regions in az - qz plane and the corresponding qmax values were determined and compared. Also, the first stability regions of , , , ions in the Vdc - Vac plane were drown, and the threshold voltages for the ion separation was investigated.

Rapid and sensitive determination of major polyphenolic components in Euphoria longana Lam. seeds using matrix solid-phase dispersion extraction and UHPLC with hybrid linear ion trap triple quadrupole mass spectrometry.

PubMed

Rathore, Atul S; Sathiyanarayanan, L; Deshpande, Shreekant; Mahadik, Kakasaheb R

2016-11-01

A rapid and sensitive method for the extraction and determination of four major polyphenolic components in Euphoria longana Lam. seeds is presented for the first time based on matrix solid-phase dispersion extraction followed by ultra high performance liquid chromatography with hybrid triple quadrupole linear ion trap mass spectrometry. Matrix solid-phase dispersion method was designed for the extraction of Euphoria longana seed constituents and compared with microwave-assisted extraction and ultrasonic-assisted extraction methods. An Ultra high performance liquid chromatography with hybrid triple quadrupole linear ion-trap mass spectrometry method was developed for quantitative analysis in multiple-reaction monitoring mode in negative electrospray ionization. The chromatographic separation was accomplished using an ACQUITY UPLC BEH C 18 (2.1 mm × 50 mm, 1.7 μm) column with gradient elution of 0.1% aqueous formic acid and 0.1% formic acid in acetonitrile. The developed method was validated with acceptable linearity (r 2 > 0.999), precision (RSD ≤ 2.22%) and recovery (RSD ≤ 2.35%). The results indicated that matrix solid-phase dispersion produced comparable extraction efficiency compared with other methods nevertheless was more convenient and time-saving with reduced requirements on sample and solvent volumes. The proposed method is rapid and sensitive in providing a promising alternative for extraction and comprehensive determination of active components for quality control of Euphoria longana products. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The electrostatic interaction between interfacial colloidal particles

NASA Astrophysics Data System (ADS)

Hurd, A. J.

1985-11-01

The electrostatic interaction between charged, colloidal particles trapped at an air-water interface is considered using linearised Poisson-Boltzmann results for point particles. In addition to the expected screened-Coulomb contribution, which decays exponentially, an algebraic dipole-dipole interaction occurs that may account for long-range interactions in interfacial colloidal systems.

Laser Radiation Pressure Acceleration of Monoenergetic Protons in an Ultra-Thin Foil

NASA Astrophysics Data System (ADS)

Eliasson, Bengt; Liu, Chuan S.; Shao, Xi; Sagdeev, Roald Z.; Shukla, Padma K.

2009-11-01

We present theoretical and numerical studies of the acceleration of monoenergetic protons in a double layer formed by the laser irradiation of an ultra-thin film. The stability of the foil is investigated by direct Vlasov-Maxwell simulations for different sets of laser-plasma parameters. It is found that the foil is stable, due to the trapping of both electrons and ions in the thin laser-plasma interaction region, where the electrons are trapped in a potential well composed of the ponderomo-tive potential of the laser light and the electrostatic potential due to the ions, and the ions are trapped in a potential well composed of the inertial potential in an accelerated frame and the electrostatic potential due to the electrons. The result is a stable double layer, where the trapped ions are accelerated to monoenergetic energies up to 100 MeV and beyond, which makes them suitable for medical applications cancer treatment. The underlying physics of trapped and untapped ions in a double layer is also investigated theoretically and numerically.

A permanent magnet trap for buffer gas cooled atoms and molecules

NASA Astrophysics Data System (ADS)

Nohlmans, D.; Skoff, S. M.; Hendricks, R. J.; Segal, D. M.; Sauer, B. E.; Hinds, E. A.; Tarbutt, M. R.

2013-05-01

Cold molecules are set to provide a wealth of new science compared to their atomic counterparts. Here we want to present preliminary results for cooling and trapping atoms/molecules in a permanent magnetic trap. By replacing the conventional buffer gas cell with an arrangement of permanent magnets, we will be able to trap a fraction of the molecules right where they are cooled. For this purpose we have designed a quadrupole trap using NdFeB magnets, which has a trap depth of 0.4 K for molecules with a magnetic moment of 1 μB. Cold helium gas is pulsed into the trap region by a solenoid valve and the atoms/molecules are subsequently ablated into this and cooled via elastic collisions, leaving a fraction of them trapped. This new set-up is currently being tested with lithium atoms as they are easier to make. After having optimised the trapping and detection processes, we will use the same trap for YbF molecules.

CESR Upgrade: Plans and Recent Performance

NASA Astrophysics Data System (ADS)

Rogers, Joseph T.

1996-05-01

We are now in the second phase of a program to substantially upgrade the luminosity of the CESR e^+ e^- collider by increasing the number of stored bunches. In the first phase, completed in 1995, we progressed from collisions of beams of 7 bunches to beams of 9 trains of two bunches each, achieving a record luminosity of 3.2 × 10^32 cm-2s-1. To avoid unwanted collisions at each side of the interaction point, we electrostatically separate the beams on antisymmetric orbits, with a ± 2.1 mrad crossing angle at the interaction point. For the second phase we have altered the interaction region quadrupole magnets to increase the physical aperture and to reduce the maximum horizontal β in this region. We plan to store 9 trains of 3 bunches in the second phase, and anticipate a luminosity of 6 × 10^32 cm-2s-1. In the third phase installation, to begin in late 1997, we will replace the interaction region quadrupoles with a combination of a permanent magnet quadrupole and superconducting quadrupole pair on each side of the interaction point, which will further reduce the β functions throughout the interaction region and at the interaction point. To accomodate the higher currents we will replace each of the four 5-cell copper RF cavities with a single-cell superconducting cavity. In this phase we expect to achieve a luminosity in excess of 10^33 cm-2s-1 with 9 trains of 5 bunches. Recent development work includes the successful test of a superconducting RF cavity in CESR, installation of low-impedance electrostatic separators, upgrades to the vacuum system, a fast digital transverse feedback system, and new beam diagnostics. Recent studies have revealed the effects of collision at a crossing angle, the behavior of the long range beam-beam interaction at parasitic crossings, and the relationship of the dominant multibunch instability to photoemission in the beam chamber.

Microfabricated Ion Beam Drivers for Magnetized Target Fusion

NASA Astrophysics Data System (ADS)

Persaud, Arun; Seidl, Peter; Ji, Qing; Ardanuc, Serhan; Miller, Joseph; Lal, Amit; Schenkel, Thomas

2015-11-01

Efficient, low-cost drivers are important for Magnetized Target Fusion (MTF). Ion beams offer a high degree of control to deliver the required mega joules of driver energy for MTF and they can be matched to several types of magnetized fuel targets, including compact toroids and solid targets. We describe an ion beam driver approach based on the MEQALAC concept (Multiple Electrostatic Quadrupole Array Linear Accelerator) with many beamlets in an array of micro-fabricated channels. The channels consist of a lattice of electrostatic quadrupoles (ESQ) for focusing and of radio-frequency (RF) electrodes for ion acceleration. Simulations with particle-in-cell and beam envelope codes predict >10x higher current densities compared to state-of-the-art ion accelerators. This increase results from dividing the total ion beam current up into many beamlets to control space charge forces. Focusing elements can be biased taking advantage of high breakdown electric fields in sub-mm structures formed using MEMS techniques (Micro-Electro-Mechanical Systems). We will present results on ion beam transport and acceleration in MEMS based beamlets. Acknowledgments: This work is supported by the U.S. DOE under Contract No. DE-AC02-05CH11231.

Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles.

PubMed

Narth, Christophe; Lagardère, Louis; Polack, Étienne; Gresh, Nohad; Wang, Qiantao; Bell, David R; Rackers, Joshua A; Ponder, Jay W; Ren, Pengyu Y; Piquemal, Jean-Philip

2016-02-15

We propose a general coupling of the Smooth Particle Mesh Ewald SPME approach for distributed multipoles to a short-range charge penetration correction modifying the charge-charge, charge-dipole and charge-quadrupole energies. Such an approach significantly improves electrostatics when compared to ab initio values and has been calibrated on Symmetry-Adapted Perturbation Theory reference data. Various neutral molecular dimers have been tested and results on the complexes of mono- and divalent cations with a water ligand are also provided. Transferability of the correction is adressed in the context of the implementation of the AMOEBA and SIBFA polarizable force fields in the TINKER-HP software. As the choices of the multipolar distribution are discussed, conclusions are drawn for the future penetration-corrected polarizable force fields highlighting the mandatory need of non-spurious procedures for the obtention of well balanced and physically meaningful distributed moments. Finally, scalability and parallelism of the short-range corrected SPME approach are addressed, demonstrating that the damping function is computationally affordable and accurate for molecular dynamics simulations of complex bio- or bioinorganic systems in periodic boundary conditions. Copyright © 2016 Wiley Periodicals, Inc.

Low energy ion beam dynamics of NANOGAN ECR ion source

NASA Astrophysics Data System (ADS)

Kumar, Sarvesh; Mandal, A.

2016-04-01

A new low energy ion beam facility (LEIBF) has been developed for providing the mass analyzed highly charged intense ion beams of energy ranging from a few tens of keV to a few MeV for atomic, molecular and materials sciences research. The new facility consists of an all permanent magnet 10 GHz electron cyclotron resonance (ECR) ion source (NANOGAN) installed on a high voltage platform (400 kV) which provides large currents of multiply charged ion beams. Higher emittance at low energy of intense ion beam puts a tremendous challenge to the beam optical design of this facility. The beam line consists of mainly the electrostatic quadrupoles, an accelerating section, analyzing cum switching magnet and suitable beam diagnostics including vacuum components. The accelerated ion beam is analyzed for a particular mass to charge (m/q) ratio as well as guided to three different lines along 75°, 90° and 105° using a large acceptance analyzing cum switching magnet. The details of transverse beam optics to all the beam lines with TRANSPORT and GICOSY beam optics codes are being described. Field computation code, OPERA 3D has been utilized to design the magnets and electrostatic quadrupoles. A theoretical estimation of emittance for optimized geometry of ion source is given so as to form the basis of beam optics calculations. The method of quadrupole scan of the beam is used to characterize the emittance of the final beam on the target. The measured beam emittance increases with m/q ratios of various ion beams similar to the trend observed theoretically.

Proton-transfer reaction mass spectrometry (PTRMS) in combination with thermal desorption (TD) for sensitive off-line analysis of volatiles.

PubMed

Crespo, Elena; Devasena, Samudrala; Sikkens, Cor; Centeno, Raymund; Cristescu, Simona M; Harren, Frans J M

2012-04-30

When performing trace gas analysis, it is not always possible to bring the source of volatiles and the gas analyzer together. In these cases, volatile storage containers, such as thermal desorption (TD) tubes, can be used for off-line measurement. TD is routinely combined with gas chromatography/mass spectrometry (GC/MS), but so far not with proton-transfer reaction mass spectrometry (PTRMS), which has a faster response. A PTR-quadrupole-MS instrument and a PTR-ion-trap-MS instrument were separately coupled to a TD unit for off-line analysis of trace volatiles in air. Carbograph 1TD/Carbopack X sorbent tubes were filled with different concentrations of a trace gas mixture containing low molecular weight volatiles (32 g/mol up to 136 g/mol) and measured with the above-mentioned combinations. The carrier gas in the TD unit was changed from helium to nitrogen to be able to combine this instrument with the mass spectrometer. Good linearity and reproducibility with the amount of gas stored were obtained. The storage capacity over time (up to 14 days) showed larger variability (<11% for all compounds, except for acetone 27%). Several tubes were filled with breath of different persons, and the breath of a smoker showed increased levels of acetonitrile and benzene. The combination of the PTR ion-trap instrument with the TD unit was also investigated. Due to its higher sampling rate, the ion-trap system showed higher throughput capabilities than the quadrupole system. The combination of TD with PTRMS using both a quadrupole and an ion trap for off-line volatile analysis has been validated. TD tubes can be a robust and compact volatile storage method when the mass spectrometry and the sampling cannot be performed in the same place, for example in large screening studies. In addition, a higher measurement throughput than with GC/MS could be obtained. Copyright © 2012 John Wiley & Sons, Ltd.

Induced in-source fragmentation pattern of certain novel (1Z,2E)-N-(aryl)propanehydrazonoyl chlorides by electrospray mass spectrometry (ESI-MS/MS)

PubMed Central

2013-01-01

Background Collision induced dissociation (CID) in the triple quadrupole mass spectrometer system (QQQ) typically yields more abundant fragment ions than those produced with resonance excitation in the presence of helium gas in the ion trap mass spectrometer system (IT). Detailed product ion spectra can be obtained from one stage MS2 scan using the QQQ. In contrast, generating the same number of fragment ions in the ion trap requires multiple stages of fragmentation (MSn) using CID via in-trap resonance excitation with the associated time penalties and drop in sensitivity. Results The use of in-source fragmentation with electrospray ionization (ESI) followed by product ion scan (MS2) in a triple quadrupole mass spectrometer system, was demonstrated. This process enhances the qualitative power of tandem mass spectrometry to simulate the MS3 of ion trap for a comprehensive study of fragmentation mechanisms. A five pharmacologically significant (1Z, 2E)-N-arylpropanehydrazonoyl chlorides (3a-e) were chosen as model compounds for this study. In this work, detailed fragmentation pathways were elucidated by further dissociation of each fragment ion in the ion spectrum, essentially, by incorporating fragmentor voltage induced dissociation (in-source fragmentation) and isolation of fragments in a quadrupole cell Q1. Subsequently, CID occurs in cell, Q2, and fragment ions are analyzed in Q3 operated in product ion mode this process can be referred to as pseudo-MS3 scan mode. Conclusions This approach allowed unambiguous assignment of all fragment ions using tandem mass spectrometer and provided adequate sensitivity and selectivity. It is beneficial for structure determination of unknown trace components. The data presented in this paper provide useful information on the effect of different substituents on the ionization/fragmentation processes and can be used in the characterization of this important class of compounds. PMID:23351484

Self-consistent electrostatic potential due to trapped plasma in the magnetosphere

NASA Technical Reports Server (NTRS)

Miller, Ronald H.; Khazanov, George V.

1993-01-01

A steady state solution for the self-consistent electrostatic potential due to a plasma confined in a magnetic flux tube is considered. A steady state distribution function is constructed for the trapped particles from the constants of the motion, in the absence of waves and collisions. Using Liouville's theorem, the particle density along the geomagnetic field is determined and found to depend on the local magnetic field, self-consistent electric potential, and the equatorial plasma distribution function. A hot anisotropic magnetospheric plasma in steady state is modeled by a bi-Maxwellian at the equator. The self-consistent electric potential along the magnetic field is calculated assuming quasineutrality, and the potential drop is found to be approximately equal to the average kinetic energy of the equatorially trapped plasma. The potential is compared with that obtained by Alfven and Faelthammar (1963).

X-Ray Absorption Microspectroscopy with Electrostatic Force Microscopy and its Application to Chemical States Mapping

NASA Astrophysics Data System (ADS)

Ishii, M.; Rigopoulos, N.; Poolton, N. R. J.; Hamilton, B.

2007-02-01

A new technique named X-EFM that measures the x-ray absorption fine structure (XAFS) of nanometer objects was developed. In X-EFM, electrostatic force microscopy (EFM) is used as an x-ray absorption detector, and photoionization induced by x-ray absorption of surface electron trapping sites is detected by EFM. An EFM signal with respect to x-ray photon energy provides the XAFS spectra of the trapping sites. We adopted X-EFM to observe Si oxide thin films. An edge jump shift intrinsic to the X-EFM spectrum was found, and it was explained with a model where an electric field between the trapping site and probe deepens the energy level of the inner-shell. A scanning probe under x-rays with fixed photon energy provided the chemical state mapping on the surface.

A preference for edgewise interactions between aromatic rings and carboxylate anions: the biological relevance of anion-quadrupole interactions.

PubMed

Jackson, Michael R; Beahm, Robert; Duvvuru, Suman; Narasimhan, Chandrasegara; Wu, Jun; Wang, Hsin-Neng; Philip, Vivek M; Hinde, Robert J; Howell, Elizabeth E

2007-07-19

Noncovalent interactions are quite important in biological structure-function relationships. To study the pairwise interaction of aromatic amino acids (phenylalanine, tyrosine, tryptophan) with anionic amino acids (aspartic and glutamic acids), small molecule mimics (benzene, phenol or indole interacting with formate) were used at the MP2 level of theory. The overall energy associated with an anion-quadrupole interaction is substantial (-9.5 kcal/mol for a benzene-formate planar dimer at van der Waals contact distance), indicating the electropositive ring edge of an aromatic group can interact with an anion. Deconvolution of the long-range coplanar interaction energy into fractional contributions from charge-quadrupole interactions, higher-order electrostatic interactions, and polarization terms was achieved. The charge-quadrupole term contributes between 30 to 45% of the total MP2 benzene-formate interaction; most of the rest of the interaction arises from polarization contributions. Additional studies of the Protein Data Bank (PDB Select) show that nearly planar aromatic-anionic amino acid pairs occur more often than expected from a random angular distribution, while axial aromatic-anionic pairs occur less often than expected; this demonstrates the biological relevance of the anion-quadrupole interaction. While water may mitigate the strength of these interactions, they may be numerous in a typical protein structure, so their cumulative effect could be substantial.

Advanced understanding on electronic structure of molecular semiconductors and their interfaces

NASA Astrophysics Data System (ADS)

Akaike, Kouki

2018-03-01

Understanding the electronic structure of organic semiconductors and their interfaces is critical to optimizing functionalities for electronics applications, by rational chemical design and appropriate combination of device constituents. The unique electronic structure of a molecular solid is characterized as (i) anisotropic electrostatic fields that originate from molecular quadrupoles, (ii) interfacial energy-level lineup governed by simple electrostatics, and (iii) weak intermolecular interactions that make not only structural order but also energy distributions of the frontier orbitals sensitive to atmosphere and interface growth. This article shows an overview on these features with reference to the improved understanding of the orientation-dependent electronic structure, comprehensive mechanisms of molecular doping, and energy-level alignment. Furthermore, the engineering of ionization energy by the control of the electrostatic fields and work function of practical electrodes by contact-induced doping is briefly described for the purpose of highlighting how the electronic structure impacts the performance of organic devices.

Higher Order Multipole Potentials and Electrostatic Screening Effects on Cohesive Energy and Bulk Modulus of Metallic Nanoparticles

NASA Astrophysics Data System (ADS)

Barakat, T.

2011-12-01

Higher order multipole potentials and electrostatic screening effects are introduced to incorporate the dangling bonds on the surface of a metallic nanopaticle and to modify the coulomb like potential energy terms, respectively. The total interaction energy function for any metallic nanoparticle is represented in terms of two- and three-body potentials. The two-body part is described by dipole-dipole interaction potential, and in the three-body part, triple-dipole (DDD) and dipole-dipole-quadrupole (DDQ) terms are included. The size-dependent cohesive energy and bulk modulus are observed to decrease with decreasing sizes, a result which is in good agreement with the experimental values of Mo and W nanoparticles.

Ion trap simulation program, ITSIM: A powerful heuristic and predictive tool in ion trap mass spectrometry

NASA Astrophysics Data System (ADS)

Bui, Huy Anh

The multi-particle simulation program, ITSIM version 4.0, takes advantage of the enhanced performance of the Windows 95 and NT operating systems in areas such as memory management, user friendliness, flexibility of graphics and speed, to investigate the motion of ions in the quadrupole ion trap. The objective of this program is to use computer simulations based on mathematical models to improve the performance of the ion trap mass spectrometer. The simulation program can provide assistance in understanding fundamental aspects of ion trap mass spectrometry, precede and help to direct the course of experiments, as well as having didactic value in elucidating and allowing visualization of ion behavior under different experimental conditions. The program uses the improved Euler method to calculate ion trajectories as numerical solutions to the Mathieu differential equation. This Windows version can simultaneously simulate the trajectories of ions with a virtually unlimited number of different mass-to-charge ratios and hence allows realistic mass spectra, ion kinetic energy distributions and other experimentally measurable properties to be simulated. The large number of simulated ions allows examination of (i) the offsetting effects of mutual ion repulsion and collisional cooling in an ion trap and (ii) the effects of higher order fields. Field inhomogeneities arising from exit holes, electrode misalignment, imperfect electrode surfaces or new trap geometries can be simulated with the program. The simulated data are used to obtain mass spectra from mass-selective instability scans as well as by Fourier transformation of image currents induced by coherently moving ion clouds. Complete instruments, from an ion source through the ion trap mass analyzer to a detector, can now be simulated. Applications of the simulation program are presented and discussed. Comparisons are made between the simulations and experimental data. Fourier transformed experiments and a novel six-electrode ion trap mass spectrometer illustrate cases in which simulations precede new experiments. Broadband non-destructive ion detection based on induced image current measurements are described in the case of a quadrupole ion trap having cylindrical geometry.

Fluorescence spectroscopy of trapped molecular ions

NASA Astrophysics Data System (ADS)

Wright, Kenneth Charles

This thesis describes the development of a unique instrument capable of detecting fluorescence emission from large gas phase molecular ions trapped in a three-dimensional quadrupole ion trap. The hypothesis that has formed the basis of this work is the belief that fluorescence spectroscopy can be combined with ion trap mass spectrometry to probe the structure of gas phase molecular ions. The ion trap provides a rarefied environment where fluorescence experiments can be conducted without interference from solvent molecules or impurities. Although fluorescence was not detected during preliminary experiments, two significant experimental challenges associated with detecting the gas phase fluorescence of ions were discovered. First, gas phase ions were vulnerable to photodissociation and low laser powers were necessary to avoid photodissociation. Since fluorescence emission is directly proportional to laser intensity, a lower laser power limits the fluorescence signal. Second, the fluorescence emission was not significantly Stokes shifted from the excitation. The lack of Stokes shift meant the small fluorescence signal must be detected in the presence of a large amount of background scatter generated by the excitation. Initially, this background was seven orders of magnitude higher than the analytical signal ultimately detected. A specially designed fiber optic probe was inserted between the electrodes of the ion trap to stop light scattered off the outside surfaces of the trap from reaching the detector. The inside surfaces of the ion trap were coated black to further reduce the amount of scattered light collected. These innovations helped reduced the background by six orders of magnitude and fluorescence emission from rhodamine-6G was detected. Pulse counting experiments were used to optimize fluorescence detection. The effects of trapping level, laser power, and irradiation time were investigated and optimized. The instrument developed in this work not only allows for the detection of fluorescent photons, but the sensitivity is high enough for the light to be dispersed and an emission spectrum recorded. The emission spectra of rhodamine-6G and 5-carboxyrhodamine-6G ions reported in this thesis represent the first spectra recorded from large molecular ions confined in a quadrupole ion trap. Finally, anti-Stokes fluorescence from rhodamine-6G was also detected.

Experimental Methods for Trapping Ions Using Microfabricated Surface Ion Traps

PubMed Central

Hong, Seokjun; Lee, Minjae; Kwon, Yeong-Dae; Cho, Dong-il "Dan"; Kim, Taehyun

2017-01-01

Ions trapped in a quadrupole Paul trap have been considered one of the strong physical candidates to implement quantum information processing. This is due to their long coherence time and their capability to manipulate and detect individual quantum bits (qubits). In more recent years, microfabricated surface ion traps have received more attention for large-scale integrated qubit platforms. This paper presents a microfabrication methodology for ion traps using micro-electro-mechanical system (MEMS) technology, including the fabrication method for a 14 µm-thick dielectric layer and metal overhang structures atop the dielectric layer. In addition, an experimental procedure for trapping ytterbium (Yb) ions of isotope 174 (174Yb+) using 369.5 nm, 399 nm, and 935 nm diode lasers is described. These methodologies and procedures involve many scientific and engineering disciplines, and this paper first presents the detailed experimental procedures. The methods discussed in this paper can easily be extended to the trapping of Yb ions of isotope 171 (171Yb+) and to the manipulation of qubits. PMID:28872137

Improvement of persistent magnetic field trapping in bulk Y-Ba-Cu-O superconductors

NASA Technical Reports Server (NTRS)

Chen, In-Gann; Weinstein, Roy

1993-01-01

For type-II superconductors, magnetic field can be trapped due to persistent internal supercurrent. Quasi-persistent magnetic fields near 2 T at 60 K (and 1.4 T at 77 K) have been measured in minimagnets made of proton-irradiated melt-textured Y-Ba-Cu-O (MT-Y123) samples. Using the trapping effect, high-field permanent magnets with dipole, quadrupole, or more complicated configurations can be made of existing MT-Y123 material, thus bypassing the need for high-temperature superconductor (HTS) wires. A phenomenological current model has been developed to account for the trapped field intensity and profile in HTS samples. This model is also a guide to select directions of materials development to further improve field trapping properties. General properties such as magnetic field intensities, spatial distributions, stabilities, and temperature dependence of trapped field are discussed.

Matter-wave solitons supported by quadrupole-quadrupole interactions and anisotropic discrete lattices

NASA Astrophysics Data System (ADS)

Zhong, Rong-Xuan; Huang, Nan; Li, Huang-Wu; He, He-Xiang; Lü, Jian-Tao; Huang, Chun-Qing; Chen, Zhao-Pin

2018-04-01

We numerically and analytically investigate the formations and features of two-dimensional discrete Bose-Einstein condensate solitons, which are constructed by quadrupole-quadrupole interactional particles trapped in the tunable anisotropic discrete optical lattices. The square optical lattices in the model can be formed by two pairs of interfering plane waves with different intensities. Two hopping rates of the particles in the orthogonal directions are different, which gives rise to a linear anisotropic system. We find that if all of the pairs of dipole and anti-dipole are perpendicular to the lattice panel and the line connecting the dipole and anti-dipole which compose the quadrupole is parallel to horizontal direction, both the linear anisotropy and the nonlocal nonlinear one can strongly influence the formations of the solitons. There exist three patterns of stable solitons, namely horizontal elongation quasi-one-dimensional discrete solitons, disk-shape isotropic pattern solitons and vertical elongation quasi-continuous solitons. We systematically demonstrate the relationships of chemical potential, size and shape of the soliton with its total norm and vertical hopping rate and analytically reveal the linear dispersion relation for quasi-one-dimensional discrete solitons.

New perspectives in laser analytics: Resonance-enhanced multiphoton ionization in a Paul ion trap combined with a time-of-flight mass spectrometer

NASA Astrophysics Data System (ADS)

Bisling, Peter; Heger, Hans Jörg; Michaelis, Walfried; Weitkamp, Claus; Zobel, Harald

1995-04-01

A new laser analytical device has been developed that is based on resonance-enhanced multiphoton ionization in the very center of a radio-frequency quadrupole ion trap. Applications in speciation anlaysis of biological and enviromental samples and in materials science will all benefit from laser-optical selectivity in the resonance excitation process, combined with mass-spectropic sensivity which is further enhanced by the ion accumulation and storage capability.

Background-free beta-decay half-life measurements by in-trap decay and high-resolution MR-ToF mass analysis

NASA Astrophysics Data System (ADS)

Wolf, R. N.; Atanasov, D.; Blaum, K.; Kreim, S.; Lunney, D.; Manea, V.; Rosenbusch, M.; Schweikhard, L.; Welker, A.; Wienholtz, F.; Zuber, K.

2016-06-01

In-trap decay in ISOLTRAP's radiofrequency quadrupole (RFQ) ion beam cooler and buncher was used to determine the lifetime of short-lived nuclides. After various storage times, the remaining mother nuclides were mass separated from accompanying isobaric contaminations by the multi-reflection time-of-flight mass separator (MR-ToF MS), allowing for a background-free ion counting. A feasibility study with several online measurements shows that the applications of the ISOLTRAP setup can be further extended by exploiting the high resolving power of the MR-ToF MS in combination with in-trap decay and single-ion counting.

Chemical interaction between Lilium brownii and Rhizoma Anemarrhenae, the herbal constituents of Baihe Zhimu decoction, by liquid chromatography coupled to hybrid triple quadrupole linear ion trap mass spectrometer.

PubMed

Yang, Bo; Liu, Zhirui; Wang, Qian; Xia, Peiyuan

2018-03-01

During the course of decoction, the components of herbal formula interact with each other, such that chemical extraction characteristics are altered. The crude drugs, Lilium brownii (Baihe) and Rhizoma Anemarrhenae (Zhimu), are the herbal constituents of Baihe Zhimu decoction, a traditional herbal formula. To investigate the chemical interaction between Baihe and Zhimu when decocting together, eight marker components in Baihe Zhimu decoction were simultaneously characterized and quantified in one run by a hybrid triple quadrupole linear ion trap mass spectrometer in the multiple reactions monitoring-information dependent acquisition-enhanced product ion mode. The results showed that Zhimu significantly suppressed the extraction of phenolic glycosides (the components from Baihe) when co-decocting, and Baihe clearly suppressed the extraction of xanthones and steroidal saponins (the components from Zhimu). Overall, the presently developed method would be a preferred candidate for the investigation of the chemical interaction between herbal medicines. Copyright © 2017 John Wiley & Sons, Ltd.

Characterization of Compounds in Psoralea corylifolia Using High-Performance Liquid Chromatography Diode Array Detection, Time-of-Flight Mass Spectrometry and Quadrupole Ion Trap Mass Spectrometry.

PubMed

Tan, Guangguo; Yang, Tiehong; Miao, Huayan; Chen, Hao; Chai, Yifeng; Wu, Hong

2015-10-01

High-performance liquid chromatography with diode array detection (HPLC-DAD), time-of-flight mass spectrometry (HPLC-TOFMS) and quadrupole ion trap mass spectrometry (HPLC-QITMS) were used for separation and identification of multi-components in Psoralea corylifolia. Benefiting from combining the accurate mass measurement of HPLC-TOFMS to generate elemental compositions, the complementary multilevel structural information provided by HPLC-QITMS and the characteristic UV spectra obtained from HPLC-DAD, 24 components in P. corylifolia were identified. The five groups of isomers were differentiated based on the fragmentation behaviors in QITMS and UV spectra. It can be concluded that an effective method based on the combination of HPLC-DAD, HPLC-TOFMS and HPLC-QITMS for identification of chemical components in P. corylifolia was established. The results provide essential data for further pharmacological and clinical studies of P. corylifolia and facilitate the rapid quality control of the crude drug. © Crown copyright 2015.

Analysis and characterisation of phytochemicals in mulberry (Morus alba L.) fruits grown in Vojvodina, North Serbia.

PubMed

Natić, Maja M; Dabić, Dragana Č; Papetti, Adele; Fotirić Akšić, Milica M; Ognjanov, Vladislav; Ljubojević, Mirjana; Tešić, Živoslav Lj

2015-03-15

In this study, the polyphenolic profile of 11 Morus alba fruits grown in the Vojvodina region was investigated. Ultra high performance liquid chromatography (UHPLC) coupled with Linear Trap Quadrupole and OrbiTrap mass analyzer, and UHPLC coupled with a diode array detector and a triple-quadrupole mass spectrometer were used for the identification and quantification of the polyphenols, respectively. A total of 14 hydroxycinnamic acid esters, 13 flavonol glycosides, and 14 anthocyanins were identified in the extracts with different distributions and contents according to the sampling. The total phenolic content ranged from 43.84 to 326.29 mg GAE/100g frozen fruit. The radical scavenging capacity (50.18-86.79%), metal chelating ability (0.21-8.15%), ferric ion reducing power (0.03-38.45 μM ascorbic acid) and superoxide anion radical scavenging activity (16.53-62.83%) were assessed. The findings indicated that mulberry polyphenolics may act as potent superoxide anion radical scavengers and reducing agents. Copyright © 2014 Elsevier Ltd. All rights reserved.

Non-target screening of Allura Red AC photodegradation products in a beverage through ultra high performance liquid chromatography coupled with hybrid triple quadrupole/linear ion trap mass spectrometry.

PubMed

Gosetti, Fabio; Chiuminatto, Ugo; Mazzucco, Eleonora; Calabrese, Giorgio; Gennaro, Maria Carla; Marengo, Emilio

2013-01-15

The study deals with the identification of the degradation products formed by simulated sunlight photoirradiation in a commercial beverage that contains Allura Red AC dye. An UHPLC-MS/MS method, that makes use of hybrid triple quadrupole/linear ion trap, was developed. In the identification step the software tool information dependent acquisition (IDA) was used to automatically obtain information about the species present and to build a multiple reaction monitoring (MRM) method with the MS/MS fragmentation pattern of the species considered. The results indicate that the identified degradation products are formed from side-reactions and/or interactions among the dye and other ingredients present in the beverage (ascorbic acid, citric acid, sucrose, aromas, strawberry juice, and extract of chamomile flowers). The presence of aromatic amine or amide functionalities in the chemical structures proposed for the degradation products might suggest potential hazards to consumer health. Copyright © 2012 Elsevier Ltd. All rights reserved.

Simultaneous and Sequential MS/MS Scan Combinations and Permutations in a Linear Quadrupole Ion Trap.

PubMed

Snyder, Dalton T; Szalwinski, Lucas J; Cooks, R Graham

2017-10-17

Methods of performing precursor ion scans as well as neutral loss scans in a single linear quadrupole ion trap have recently been described. In this paper we report methodology for performing permutations of MS/MS scan modes, that is, ordered combinations of precursor, product, and neutral loss scans following a single ion injection event. Only particular permutations are allowed; the sequences demonstrated here are (1) multiple precursor ion scans, (2) precursor ion scans followed by a single neutral loss scan, (3) precursor ion scans followed by product ion scans, and (4) segmented neutral loss scans. (5) The common product ion scan can be performed earlier in these sequences, under certain conditions. Simultaneous scans can also be performed. These include multiple precursor ion scans, precursor ion scans with an accompanying neutral loss scan, and multiple neutral loss scans. We argue that the new capability to perform complex simultaneous and sequential MS n operations on single ion populations represents a significant step in increasing the selectivity of mass spectrometry.

Demonstrating H- beam focusing using an elliptical einzel lens

NASA Astrophysics Data System (ADS)

Lawrie, S. R.; Faircloth, D. C.; Letchford, A. P.; Whitehead, M. O.; Wood, T.

2017-08-01

H- ion source research is being performed at the ISIS spallation neutron and muon facility on a dedicated Vessel for Extraction and Source Plasma Analyses (VESPA). The ion extraction and optics system presently being used on ISIS is centered on a combined-function sector dipole magnet. This traps cesium vapor escaping the ion source; mass-separates co-extracted electrons and stripped neutrals, and weak-focusses the highly asymmetric slit-shaped ion beam. Unfortunately the added drift length through the magnet under strong space-charge forces means up to 50% of the beam is collimated on the magnet. The VESPA has shown that the ISIS ion source actually produces 80 mA of beam current at standard settings, but because of magnet collimation only 55 mA is injected into the solenoid Low Energy Beam Transport (LEBT). A new purely electrostatic post-extraction system incorporating an einzel lens with an elliptical aperture is currently under test. This allows much greater flexibility of perveance and phase space matching for injection into the LEBT and Radio Frequency Quadrupole (RFQ). This paper discusses high voltage breakdown mitigation strategies and presents the first results of the novel elliptical transport system. So far, 70 mA of beam has been transported through the new system with a normalized transverse RMS emittance of 0.2 π mm mrad.

Enhanced polymer capture speed and extended translocation time in pressure-solvation traps

NASA Astrophysics Data System (ADS)

Buyukdagli, Sahin

2018-06-01

The efficiency of nanopore-based biosequencing techniques requires fast anionic polymer capture by like-charged pores followed by a prolonged translocation process. We show that this condition can be achieved by setting a pressure-solvation trap. Polyvalent cation addition to the KCl solution triggers the like-charge polymer-pore attraction. The attraction speeds-up the pressure-driven polymer capture but also traps the molecule at the pore exit, reducing the polymer capture time and extending the polymer escape time by several orders of magnitude. By direct comparison with translocation experiments [D. P. Hoogerheide et al., ACS Nano 8, 7384 (2014), 10.1021/nn5025829], we characterize as well the electrohydrodynamics of polymers transport in pressure-voltage traps. We derive scaling laws that can accurately reproduce the pressure dependence of the experimentally measured polymer translocation velocity and time. We also find that during polymer capture, the electrostatic barrier on the translocating molecule slows down the liquid flow. This prediction identifies the streaming current measurement as a potential way to probe electrostatic polymer-pore interactions.

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

Summers, D. J.; Hart, T. L.; Acosta, J. G.

We propose a novel scheme for final muon ionization cooling with quadrupole doublets followed by emittance exchange in vacuum to achieve the small beam sizes needed by a muon collider. A flat muon beam with a series of quadrupole doublet half cells appears to provide the strong focusing required for final cooling. Each quadrupole doublet has a low beta region occupied by a dense, low Z absorber. After final cooling, normalized transverse, longitudinal, and angular momentum emittances of 0.100, 2.5, and 0.200 mm-rad are exchanged into 0.025, 70, and 0.0 mm-rad. A skew quadrupole triplet transforms a round muon bunchmore » with modest angular momentum into a flat bunch with no angular momentum. Thin electrostatic septa efficiently slice the flat bunch into 17 parts. The 17 bunches are interleaved into a 3.7 meter long train with RF deflector cavities. Snap bunch coalescence combines the muon bunch train longitudinally in a 21 GeV ring in 55 µs, one quarter of a synchrotron oscillation period. A linear long wavelength RF bucket gives each bunch a different energy causing the bunches to drift in the ring until they merge into one bunch and can be captured in a short wavelength RF bucket with a 13% muon decay loss and a packing fraction as high as 87 %.« less

Ion, X-ray, UV and Neutron Microbeam Systems for Cell Irradiation.

PubMed

Bigelow, A W; Randers-Pehrson, G; Garty, G; Geard, C R; Xu, Y; Harken, A D; Johnson, G W; Brenner, D J

2010-08-08

The array of microbeam cell-irradiation systems, available to users at the Radiological Research Accelerator Facility (RARAF), Center for Radiological Research, Columbia University, is expanding. The HVE 5MV Singletron particle accelerator at the facility provides particles to two focused ion microbeam lines: the sub-micron microbeam II and the permanent magnetic microbeam (PMM). Both the electrostatic quadrupole lenses on the microbeam II system and the magnetic quadrupole lenses on the PMM system are arranged as compound lenses consisting of two quadrupole triplets with "Russian" symmetry. Also, the RARAF accelerator is a source for a proton-induced x-ray microbeam (undergoing testing) and is projected to supply protons to a neutron microbeam based on the (7)Li(p, n)(7)Be nuclear reaction (under development). Leveraging from the multiphoton microscope technology integrated within the microbeam II endstation, a UV microspot irradiator - based on multiphoton excitation - is available for facility users. Highlights from radiation-biology demonstrations on single living mammalian cells are included in this review of microbeam systems for cell irradiation at RARAF.

Mass selectivity of dipolar resonant excitation in a linear quadrupole ion trap.

PubMed

Douglas, D J; Konenkov, N V

2014-03-15

For mass analysis, linear quadrupole ion traps operate with dipolar excitation of ions for either axial or radial ejection. There have been comparatively few computer simulations of this process. We introduce a new concept, the excitation contour, S(q), the fraction of the excited ions that reach the trap electrodes when trapped at q values near that corresponding to the excitation frequency. Ion trajectory calculations are used to calculate S(q). Ions are given Gaussian distributions of initial positions in x and y, and thermal initial velocity distributions. To model gas damping, a drag force is added to the equations of motion. The effects of the initial conditions, ejection Mathieu parameter q, scan speed, excitation voltage and collisional damping, are modeled. We find that, with no buffer gas, the mass resolution is mostly determined by the excitation time and is given by R~dβ/dq qn, where β(q) determines the oscillation frequency, and n is the number of cycles of the trapping radio frequency during the excitation or ejection time. The highest resolution at a given scan speed is reached with the lowest excitation amplitude that gives ejection. The addition of a buffer gas can increase the mass resolution. The simulation results are in broad agreement with experiments. The excitation contour, S(q), introduced here, is a useful tool for studying the ejection process. The excitation strength, excitation time and buffer gas pressure interact in a complex way but, when set properly, a mass resolution R0.5 of at least 10,000 can be obtained at a mass-to-charge ratio of 609. Copyright © 2014 John Wiley & Sons, Ltd.

A New Approach To Selectively Identify And Quantify Perfluorochemicals In Complex Matrices Using Ion Trap Time-Of-Flight Mass Spectrometry

EPA Science Inventory

Most of the published studies focusing on the environmental and biological distribution of perfluorinated alkyl compounds (PFCs) have used triple quadrupole mass spectrometers for compound identification and quantitation. Multiple-reaction-monitoring (MRM) is a sensitive mass sp...

Intermolecular configurations dominated by quadrupole-quadrupole electrostatic interactions: explicit correlation treatment of the five-dimensional potential energy surface and infrared spectra for the CO-N2 complex.

PubMed

Liu, Jing-Min; Zhai, Yu; Zhang, Xiao-Long; Li, Hui

2018-01-17

A thorough understanding of the intermolecular configurations of van der Waals complexes is a great challenge due to their weak interactions, floppiness and anharmonic nature. Although high-resolution microwave or infrared spectroscopy provides one of the most direct and precise pieces of experimental evidence, the origin and key role in determining such intermolecular configurations of a van der Waals system strongly depend on its highly accurate potential energy surface (PES) and a detailed analysis of its ro-vibrational wavefunctions. Here, a new five-dimensional potential energy surface for the van der Waals complex of CO-N 2 which explicitly incorporates the dependence on the stretch coordinate of the CO monomer is generated using the explicitly correlated couple cluster (CCSD(T)-F12) method in conjunction with a large basis set. Analytic four-dimensional PESs are obtained by the least-squares fitting of vibrationally averaged interaction energies for v = 0 and v = 1 to the Morse/Long-Range potential mode (V MLR ). These fits to 7966 points have root-mean-square deviations (RMSD) of 0.131 cm -1 and 0.129 cm -1 for v = 0 and v = 1, respectively, with only 315 parameters. Energy decomposition analysis is carried out, and it reveals that the dominant factor in controlling intermolecular configurations is quadrupole-quadrupole electrostatic interactions. Moreover, the rovibrational levels and wave functions are obtained for the first time. The predicted infrared transitions and intensities for the ortho-N 2 -CO complex as well as the calculated energy levels for para-N 2 -CO are in good agreement with the available experimental data with RMSD discrepancies smaller than 0.068 cm -1 . The calculated infrared band origin shift associated with the fundamental band frequency of CO is -0.721 cm -1 for ortho-N 2 -CO which is in excellent agreement with the experimental value of -0.739 cm -1 . The agreement with experimental values validates the high quality of the PESs and enhances our confidence to explain the observed mystery lines around 2163 cm -1 .

Dual-species Bose-Einstein condensate of {sup 87}Rb and {sup 133}Cs

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

McCarron, D. J.; Cho, H. W.; Jenkin, D. L.

2011-07-15

We report the formation of a dual-species Bose-Einstein condensate of {sup 87}Rb and {sup 133}Cs in the same trapping potential. Our method exploits the efficient sympathetic cooling of {sup 133}Cs via elastic collisions with {sup 87}Rb, initially in a magnetic quadrupole trap and subsequently in a levitated optical trap. The two condensates each contain up to 2x10{sup 4} atoms and exhibit a striking phase separation, revealing the mixture to be immiscible due to strong repulsive interspecies interactions. Sacrificing all the {sup 87}Rb during the cooling, we create single-species {sup 133}Cs condensates of up to 6x10{sup 4} atoms.

Quadrupole Ion Mass Spectrometer for Masses of 2 to 50 Da

NASA Technical Reports Server (NTRS)

Helms, William; Griffin, Timothy P.; Ottens, Andrew; Harrison, Willard

2005-01-01

A customized quadrupole ion-trap mass spectrometer (QITMS) has been built to satisfy a need for a compact, rugged instrument for measuring small concentrations of hydrogen, helium, oxygen, and argon in a nitrogen atmosphere. This QITMS can also be used to perform quantitative analyses of other gases within its molecular-mass range, which is 2 to 50 daltons (Da). (More precisely, it can be used to perform quantitative analysis of gases that, when ionized, are characterized by m/Z ratios between 2 and 50, where m is the mass of an ion in daltons and Z is the number of fundamental electric charges on the ion.

Systematic Improvement of Potential-Derived Atomic Multipoles and Redundancy of the Electrostatic Parameter Space.

PubMed

Jakobsen, Sofie; Jensen, Frank

2014-12-09

We assess the accuracy of force field (FF) electrostatics at several levels of approximation from the standard model using fixed partial charges to conformational specific multipole fits including up to quadrupole moments. Potential-derived point charges and multipoles are calculated using least-squares methods for a total of ∼1000 different conformations of the 20 natural amino acids. Opposed to standard charge fitting schemes the procedure presented in the current work employs fitting points placed on a single isodensity surface, since the electrostatic potential (ESP) on such a surface determines the ESP at all points outside this surface. We find that the effect of multipoles beyond partial atomic charges is of the same magnitude as the effect due to neglecting conformational dependency (i.e., polarizability), suggesting that the two effects should be included at the same level in FF development. The redundancy at both the partial charge and multipole levels of approximation is quantified. We present an algorithm which stepwise reduces or increases the dimensionality of the charge or multipole parameter space and provides an upper limit of the ESP error that can be obtained at a given truncation level. Thereby, we can identify a reduced set of multipole moments corresponding to ∼40% of the total number of multipoles. This subset of parameters provides a significant improvement in the representation of the ESP compared to the simple point charge model and close to the accuracy obtained using the complete multipole parameter space. The selection of the ∼40% most important multipole sites is highly transferable among different conformations, and we find that quadrupoles are of high importance for atoms involved in π-bonding, since the anisotropic electric field generated in such regions requires a large degree of flexibility.

Compact setup for the production of {sup 87}Rb |F = 2, m{sub F} = + 2〉 Bose-Einstein condensates in a hybrid trap

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

Nolli, Raffaele; Venturelli, Michela; Marmugi, Luca, E-mail: l.marmugi@ucl.ac.uk

We present a compact experimental apparatus for Bose-Einstein condensation of {sup 87}Rb in the |F  =  2, m{sub F} = + 2〉 state. A pre-cooled atomic beam of {sup 87}Rb is obtained by using an unbalanced magneto-optical trap, allowing controlled transfer of trapped atoms from the first vacuum chamber to the science chamber. Here, atoms are transferred to a hybrid trap, as produced by overlapping a magnetic quadrupole trap with a far-detuned optical trap with crossed beam configuration, where forced radiofrequency evaporation is realized. The final evaporation leading to Bose-Einstein condensation is then performed by exponentially lowering the optical trapmore » depth. Control and stabilization systems of the optical trap beams are discussed in detail. The setup reliably produces a pure condensate in the |F = 2, m{sub F} = + 2〉 state in 50 s, which includes 33 s loading of the science magneto-optical trap and 17 s forced evaporation.« less

Single Particle Studies of Heterogeneous Atmospheric Chemistry on Aluminum Oxide Particles in a Quadrupole Trap

DTIC Science & Technology

2000-03-01

For Figures 17 and 18, the H20 content of the N2 gas flow is ណ ppm ( dew point < 220 K); for Figure 19, the HC1 content of the gas stream is 30 ppm...the same temperature to prevent supersaturation. We have calibrated the water delivery system in H2S04 trapping experiments, 35 by a dew point ...We have investigated the activities of different types of aluminum oxide particles for uptake of gas -phase H20 and HCI. The particle types

Virtual cathode formations in nested-well configurations

NASA Astrophysics Data System (ADS)

Stephens, K. F.; Ordonez, C. A.; Peterkin, R. E.

1999-12-01

Complete transmission of an electron beam through a cavity is not possible if the current exceeds the space-charge limited current. The formation of a virtual cathode reflects some of the beam electrons and reduces the current transmitted through the cavity. Transients in the injected current have been shown to lower the transmitted current below the value predicted by the electrostatic Child-Langmuir law. The present work considers the propagation of an electron beam through a nested-well configuration. Electrostatic particle-in-cell simulations are used to demonstrate that ions can be trapped in the electric potential depression of an electron beam. Furthermore, the trapped ions can prevent the formation of a virtual cathode for beam currents exceeding the space-charge limit.

Demonstrating the Principle of an rf Paul Ion Trap

NASA Astrophysics Data System (ADS)

Johnson, Andrew; Rabchuk, James

2008-03-01

An rf ion trap uses a time-varying electric field to trap charged ions. This is useful in applications related to quantum computing and mass spectroscopy. There are several mechanical devices described in the literature which have attempted to provide illustrative demonstrations of the principle of rf ion traps, including a mechanically-rotating ``saddle trap'' and the vertically-driven, inverted pendulum^1,2. Neither demonstration, however, successfully demonstrates BOTH the sinusoidal variation in the electric potential of the rf trap AND the parametric stability of the ions in the trap described by Mathieu's equation. We have modified a design of a one-dimensional ponderomotive trap^3 so that it satisfies both criteria for demonstrating the principle of an rf Paul trap. Our studies indicate that trapping stability is highly sensitive to fluxuations in the driving frequency. Results from the demonstration apparatus constructed by the authors will be presented. ^1 Rueckner, W., et al., ``Rotating saddle Paul trap,'' Am. J. Phys., 63 (2), February 1995. ^2 Friedman, M.H., et al., ``The inverted pendulum: A mechanical analogue of a quadrupole mass filter,'' Am. J. Phys., 50 (10), October 1982. ^3 Johnson, A.K. and Rabchuk, J.A., ``A One-Dimensional Ponderomotive Trap,'' ISAAPT 2007 spring meeting, WIU, March 30, 2007.

Identification in Rat Plasma and Urine by Linear Trap Quadrupole-Orbitrap Mass Spectrometry of the Metabolites of Maslinic Acid, a Triterpene from Olives.

PubMed

Sánchez-González, Marta; Lozano-Mena, Glòria; Parra, Andrés; Juan, M Emília; Planas, Joana M

2015-02-04

Maslinic acid is a natural pentacyclic triterpenoid widely distributed in edible and medicinal plants with health-promoting activities. The identification and quantification of its metabolites is a requirement for a better understanding of the biological effects of this triterpene. Therefore, maslinic acid was orally administered to Sprague-Dawley rats at a dose of 50 mg/kg of body weight. Blood and urine were withdrawn at 45 min. Samples were extracted with ethyl acetate prior to liquid chromatography-atmospheric pressure chemical ionization-linear trap quadrupole-Orbitrap (LC-APCI-LTQ-Orbitrap) analysis. Screening of plasma yielded four monohydroxylated derivatives (M1-M4), one monohydroxylated and dehydrogenated metabolite (M5), and two dihydroxylated and dehydrogenated compounds (M6 and M7). In urine, M1, M4, M5, and M6 were detected. Quantification by LC-APCI-mass spectrometry (MS) revealed maslinic acid as the prevalent compound in both plasma (81.8%) and urine (73.9%), which indicates that metabolism is low and mainly attributable to phase I reactions.

HPLC/ESI-quadrupole ion trap mass spectrometry for characterization and direct quantification of amphoteric and nonionic surfactants in aqueous samples

NASA Technical Reports Server (NTRS)

Levine, Lanfang H.; Garland, Jay L.; Johnson, Jodie V.

2002-01-01

An amphoteric (cocamidopropylbetaine, CAPB) and a nonionic (alcohol polyethoxylate, AE) surfactant were characterized by electrospray ionization quadrupole ion trap mass spectrometry (ESI-MS) as to their homologue distribution and ionization/fragmentation chemistry. Quantitative methods involving reversed-phase gradient HPLC and (+)ESI-MSn were developed to directly determine these surfactants in hydroponic plant growth medium that received simulated graywater. The predominant homologues, 12 C alkyl CAPB and 9 EO AE, were monitored to represent the total amount of the respective surfactants. The methods demonstrated dynamic linear ranges of 0.5-250 ng (r2 > 0.996) for CAPB and 8-560 ng (r2 > 0.998) for AE homologue mixture, corresponding to minimum quantification limits of 25 ppb CAPB and 0.4 ppm AE with 20-microL injections. This translated into an even lower limit for individual components due to the polydispersive nature of the surfactants. The procedure was successfully employed for the assessment of CAPB and AE biodegradation in a hydroponic plant growth system used as a graywater bioreactor.

Systematic Analysis of Absorbed Anti-Inflammatory Constituents and Metabolites of Sarcandra glabra in Rat Plasma Using Ultra-High-Pressure Liquid Chromatography Coupled with Linear Trap Quadrupole Orbitrap Mass Spectrometry.

PubMed

Li, Xiong; Zhao, Jin; Liu, Jianxing; Li, Geng; Zhao, Ya; Zeng, Xing

2016-01-01

Ultra-high-pressure liquid chromatography (UHPLC) was coupled with linear ion trap quadrupole Orbitrap mass spectrometry (LTQ-Orbitrap) and was used for the first time to systematically analyze the absorbed components and metabolites in rat plasma after oral administration of the water extract of Sarcandra glabra. This extract is a well-known Chinese herbal medicine for the treatment of inflammation and immunity related diseases. The anti-inflammatory activities of the absorbed components were evaluated by measuring nitric oxide (NO) production and proinflammatory genes expression in lipopolysaccharide (LPS)-stimulated murine RAW 264.7 macrophages. As a result, 54 components in Sarcandra glabra were detected in dosed rat plasma, and 36 of them were positively identified. Moreover, 23 metabolites were characterized and their originations were traced. Furthermore, 20 of the 24 studied components showed anti-inflammatory activities. These results provide evidence that this method efficiency detected constituents in plasma based on the anti-inflammatory mechanism of multiple components and would be a useful technique for screening multiple targets for natural medicine research.

Averaging peak-to-peak voltage detector for absolute mass determination of single particles with quadrupole ion traps

NASA Astrophysics Data System (ADS)

Peng, Wen-Ping; Lee, Yuan T.; Ting, Joseph W.; Chang, Huan-Cheng

2005-02-01

A sine wave that controls a quadrupole ion trap is generated from a low voltage source, boosted to high voltage through a transformer. Since not even the best transformers can keep a flat amplitude response with respect to frequency, knowing the accurate peak-to-peak value of the sine wave is paramount when the frequency is varied. We have developed an averaging peak-to-peak voltage detector for such measurements and demonstrated that the device is an essential tool to make possible high-precision mass determination of single charged microparticles with masses greater than 1×1011u. Tests of the detector with sine waves from a FLUKE 5720A standard source in the neighborhood of 1400Vpp and frequencies ranging from 100to700Hz showed a measurement accuracy better than 10ppm. The detector settled within 5s after each reset to 5 digits of DVM rock-steady reading, and the calibration against the same source after 3weeks of continuous use of the circuit produced a mere overall 1ppm difference.

Loading of mass spectrometry ion trap with Th ions by laser ablation for nuclear frequency standard application.

PubMed

Borisyuk, Petr V; Derevyashkin, Sergey P; Khabarova, Ksenia Y; Kolachevsky, Nikolay N; Lebedinsky, Yury Y; Poteshin, Sergey S; Sysoev, Alexey A; Tkalya, Evgeny V; Tregubov, Dmitry O; Troyan, Viktor I; Vasiliev, Oleg S; Yakovlev, Valery P; Yudin, Valery I

2017-08-01

We describe an original multisectional quadrupole ion trap aimed to realize nuclear frequency standard based on the unique isomer transition in thorium nucleus. It is shown that the system effectively operates on Th + , Th 2+ and Th 3+ ions produced by laser ablation of metallic thorium-232 target. Laser intensity used for ablation is about 6 GW/cm 2 . Via applying a bias potential to every control voltage including the RF one, we are able not only to manipulate ions within the energy range as wide as 1-500 eV but to specially adjust trap potentials in order to work mainly with ions that belong to energy distribution maximum and therefore to effectively enhance the number of trapped ions. Measurement of energy distributions of 232 Th + , 232 Th 2+ , 232 Th 3+ ions obtained by laser ablation allows us to define optimal potential values for trapping process. Observed number of ions inside trap in dependence on trapping time is found to obey an unusually slow - logarithmic decay law that needs more careful study.

Digitally synthesized high purity, high-voltage radio frequency drive electronics for mass spectrometry.

PubMed

Schaefer, R T; MacAskill, J A; Mojarradi, M; Chutjian, A; Darrach, M R; Madzunkov, S M; Shortt, B J

2008-09-01

Reported herein is development of a quadrupole mass spectrometer controller (MSC) with integrated radio frequency (rf) power supply and mass spectrometer drive electronics. Advances have been made in terms of the physical size and power consumption of the MSC, while simultaneously making improvements in frequency stability, total harmonic distortion, and spectral purity. The rf power supply portion of the MSC is based on a series-resonant LC tank, where the capacitive load is the mass spectrometer itself, and the inductor is a solenoid or toroid, with various core materials. The MSC drive electronics is based on a field programmable gate array (FPGA), with serial peripheral interface for analog-to-digital and digital-to-analog converter support, and RS232/RS422 communications interfaces. The MSC offers spectral quality comparable to, or exceeding, that of conventional rf power supplies used in commercially available mass spectrometers; and as well an inherent flexibility, via the FPGA implementation, for a variety of tasks that includes proportional-integral derivative closed-loop feedback and control of rf, rf amplitude, and mass spectrometer sensitivity. Also provided are dc offsets and resonant dipole excitation for mass selective accumulation in applications involving quadrupole ion traps; rf phase locking and phase shifting for external loading of a quadrupole ion trap; and multichannel scaling of acquired mass spectra. The functionality of the MSC is task specific, and is easily modified by simply loading FPGA registers or reprogramming FPGA firmware.

Cigarette Smoke Cadmium Breakthrough from Traditional Filters: Implications for Exposure

PubMed Central

Pappas, R. Steven; Fresquez, Mark R.; Watson, Clifford H.

2015-01-01

Cadmium, a carcinogenic metal, is highly toxic to renal, skeletal, nervous, respiratory, and cardiovascular systems. Accurate and precise quantification of mainstream smoke cadmium levels in cigarette smoke is important because of exposure concerns. The two most common trapping techniques for collecting mainstream tobacco smoke particulate for analysis are glass fiber filters and electrostatic precipitators. We observed that a significant portion of total cadmium passed through standard glass fiber filters that are used to trap particulate matter. We therefore developed platinum traps to collect the cadmium that passed through the filters and tested a variety of cigarettes with different physical parameters for quantities of cadmium that passed though the filters. We found less than 1% cadmium passed through electrostatic precipitators. In contrast, cadmium that passed through 92 mm glass fiber filters on a rotary smoking machine was significantly higher, ranging from 3.5% to 22.9% of total smoke cadmium deliveries. Cadmium passed through 44 mm filters typically used on linear smoking machines to an even greater degree, ranging from 13.6% to 30.4% of the total smoke cadmium deliveries. Differences in the cadmium that passed through from the glass fiber filters and electrostatic precipitator could be explained in part if cadmium resides in the smaller mainstream smoke aerosol particle sizes. Differences in particle size distribution could have toxicological implications and could help explain the pulmonary and cardiovascular cadmium uptake in smokers. PMID:25313385

Design and performance of an instrument for electron impact tandem mass spectrometry and action spectroscopy of mass/charge selected macromolecular ions stored in RF ion trap*

NASA Astrophysics Data System (ADS)

Ranković, Milos Lj.; Giuliani, Alexandre; Milosavljević, Aleksandar R.

2016-06-01

A new apparatus was designed, coupling an electron gun with a linear quadrupole ion trap mass spectrometer, to perform m/ z (mass over charge) selected ion activation by electron impact for tandem mass spectrometry and action spectroscopy. We present in detail electron tracing simulations of a 300 eV electron beam inside the ion trap, design of the mechanical parts, electron optics and electronic circuits used in the experiment. We also report examples of electron impact activation tandem mass spectra for Ubiquitin protein, Substance P and Melittin peptides, at incident electron energies in the range from 280 eV to 300 eV.

Electrospray ionization tandem mass spectrometry of ammonium cationized polyethers.

PubMed

Nasioudis, Andreas; Heeren, Ron M A; van Doormalen, Irene; de Wijs-Rot, Nicolette; van den Brink, Oscar F

2011-05-01

Quaternary ammonium salts (Quats) and amines are known to facilitate the MS analysis of high molar mass polyethers by forming low charge state adduct ions. The formation, stability, and behavior upon collision-induced dissociation (CID) of adduct ions of polyethers with a variety of Quats and amines were studied by electrospray ionization quadrupole time-of-flight, quadrupole ion trap, and linear ion trap tandem mass spectrometry (MS/MS). The linear ion trap instrument was part of an Orbitrap hybrid mass spectrometer that allowed accurate mass MS/MS measurements. The Quats and amines studied were of different degree of substitution, structure, and size. The stability of the adduct ions was related to the structure of the cation, especially the amine's degree of substitution. CID of singly/doubly charged primary and tertiary ammonium cationized polymers resulted in the neutral loss of the amine followed by fragmentation of the protonated product ions. The latter reveals information about the monomer unit, polymer sequence, and endgroup structure. In addition, the detection of product ions retaining the ammonium ion was observed. The predominant process in the CID of singly charged quaternary ammonium cationized polymers was cation detachment, whereas their doubly charged adduct ions provided the same information as the primary and tertiary ammonium cationized adduct ions. This study shows the potential of specific amines as tools for the structural elucidation of high molar mass polyethers. © American Society for Mass Spectrometry, 2011

Treatment planning capability assessment of a beam shaping assembly for accelerator-based BNCT.

PubMed

Herrera, M S; González, S J; Burlon, A A; Minsky, D M; Kreiner, A J

2011-12-01

Within the frame of an ongoing project to develop a folded Tandem-Electrostatic-Quadrupole accelerator facility for Accelerator-Based Boron Neutron Capture Therapy (AB-BNCT) a theoretical study was performed to assess the treatment planning capability of different configurations of an optimized beam shaping assembly for such a facility. In particular this study aims at evaluating treatment plans for a clinical case of Glioblastoma. Copyright © 2011 Elsevier Ltd. All rights reserved.

MEMS based ion beams for fusion

NASA Astrophysics Data System (ADS)

Persaud, A.; Seidl, P. A.; Ji, Q.; Waldron, W. L.; Schenkel, T.; Ardanuc, S.; Vinayakumar, K. B.; Schaffer, Z. A.; Lal, A.

2016-10-01

Micro-Electro-Mechanical Systems (MEMS) fabrication provides an exciting opportunity to shrink existing accelerator concepts to smaller sizes and to reduce cost by orders of magnitude. We revisit the concept of a Multiple Electrostatic Quadrupole Array Linear Accelerator (MEQALAC) and show how, with current technologies, the concept can be downsized from gap distances of several cm to distances in the sub-mm regime. The basic concept implements acceleration gaps using radio frequency (RF) fields and electrostatic quadrupoles (ESQ) on silicon wafers. First results from proof-of-concept experiments using printed circuit boards to realize the MEQALAC structures are presented. We show results from accelerating structures that were used in an array of nine (3x3) parallel beamlets with He ions at 15 keV. We will also present results from an ESQ focusing lattice using the same beamlet layout showing beam transport and matching. We also will discuss our progress in fabricating MEMS devices in silicon wafers for both the RF and ESQ structures and integration of necessary RF-circuits on-chip. The concept can be scaled up to thousands of beamlets providing high power beams at low cost and can be used to form and compress a plasma for the development of magnetized target fusion approaches. This work was supported by the Office of Science of the US Department of Energy through the ARPA-e ALPHA program under contracts DE-AC0205CH11231 (LBNL).

Analysis of continuously rotating quadrupole focusing channels using generalized Courant-Snyder theory

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

Chung, Moses; Qin, Hong; Gilson, Erik

2013-01-01

By extending the recently developed generalized Courant-Snyder theory for coupled transverse beam dynamics, we have constructed the Gaussian beam distribution and its projections with arbitrary mode emittance ratios. The new formulation has been applied to a continuously-rotating quadrupole focusing channel because the basic properties of this channel are known theoretically and could also be investigated experimentally in a compact setup such as the linear Paul trap configuration. The new formulation retains a remarkably similar mathematical structure to the original Courant-Snyder theory, and thus provides a powerful theoretical tool to investigate coupled transverse beam dynamics in general and more complex linearmore » focusing channels.« less

Analysis of continuously rotating quadrupole focusing channels using generalized Courant-Snyder theory

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

Chung, Moses; Qin, Hong; Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026

2013-08-15

By extending the recently developed generalized Courant-Snyder theory for coupled transverse beam dynamics, we have constructed the Gaussian beam distribution and its projections with arbitrary mode emittance ratios. The new formulation has been applied to a continuously rotating quadrupole focusing channel because the basic properties of this channel are known theoretically and could also be investigated experimentally in a compact setup such as the linear Paul trap configuration. The new formulation retains a remarkably similar mathematical structure to the original Courant-Snyder theory, and thus, provides a powerful theoretical tool to investigate coupled transverse beam dynamics in general and more complexmore » linear focusing channels.« less

A 6He production facility and an electrostatic trap for measurement of the beta-neutrino correlation

NASA Astrophysics Data System (ADS)

Mukul, I.; Hass, M.; Heber, O.; Hirsh, T. Y.; Mishnayot, Y.; Rappaport, M. L.; Ron, G.; Shachar, Y.; Vaintraub, S.

2018-08-01

A novel experiment has been commissioned at the Weizmann Institute of Science for the study of weak interactions via a high-precision measurement of the beta-neutrinoangular correlation in the radioactive decay of short-lived 6He. The facility consists of a 14 MeV d + t neutron generator to produce atomic 6He, followed by ionization and bunching in an electron beam ion source, and injection into an electrostatic ion beam trap. This ion trap has been designed for efficient detection of the decay products from trapped light ions. The storage time in the trap for different stable ions was found to be in the range of 0.6 to 1.2 s at the chamber pressure of ∼7 × 10-10 mbar. We present the initial test results of the facility, and also demonstrate an important upgrade of an existing method (Stora et al., 2012) for production of light radioactive atoms, viz. 6He, for the precision measurement. The production rate of 6He atoms in the present setup has been estimated to be ∼ 1 . 45 × 10-4 atoms per neutron, and the system efficiency was found to be 4.0 ± 0.6%. An improvement to this setup is also presented for the enhanced production and diffusion of radioactive atoms for future use.

Application of dynamic light scattering for studying the evolution of micro- and nano-droplets

NASA Astrophysics Data System (ADS)

Derkachov, G.; Jakubczyk, D.; Kolwas, K.; Shopa, Y.; Woźniak, M.; Wojciechowski, T.

2018-01-01

The dynamic light scattering (DLS) technique was used for studying the processes of aggregation of spherical SiO2 particles in various diethylene glycol (DEG) suspensions. The suspensions were studied in a cuvette, in a millimeter-sized droplet and in a micrometer-sized droplet. For the first time DLS signals for droplets of picolitre volume, levitated in an electrodynamic quadrupole trap, were obtained. It is shown that the correlation analysis of light scattered from a micro-droplet allows monitoring the changes of its internal structure, as well as its motions: trap-constricted Brownian motions and random rotations.

Searching the Force Field Electrostatic Multipole Parameter Space.

PubMed

Jakobsen, Sofie; Jensen, Frank

2016-04-12

We show by tensor decomposition analyses that the molecular electrostatic potential for amino acid peptide models has an effective rank less than twice the number of atoms. This rank indicates the number of parameters that can be derived from the electrostatic potential in a statistically significant way. Using this as a guideline, we investigate different strategies for deriving a reduced set of atomic charges, dipoles, and quadrupoles capable of reproducing the reference electrostatic potential with a low error. A full combinatorial search of selected parameter subspaces for N-methylacetamide and a cysteine peptide model indicates that there are many different parameter sets capable of providing errors close to that of the global minimum. Among the different reduced multipole parameter sets that have low errors, there is consensus that atoms involved in π-bonding require higher order multipole moments. The possible correlation between multipole parameters is investigated by exhaustive searches of combinations of up to four parameters distributed in all possible ways on all possible atomic sites. These analyses show that there is no advantage in considering combinations of multipoles compared to a simple approach where the importance of each multipole moment is evaluated sequentially. When combined with possible weighting factors related to the computational efficiency of each type of multipole moment, this may provide a systematic strategy for determining a computational efficient representation of the electrostatic component in force field calculations.

Linear excitation and detection in Fourier transform ion cyclotron resonance mass spectrometry

NASA Astrophysics Data System (ADS)

Grosshans, Peter B.; Chen, Ruidan; Limbach, Patrick A.; Marshall, Alan G.

1994-11-01

We present the first Fourier transform ion cyclotron resonance (FT-ICR) ion trap designed to produce both a linear spatial variation of the excitation electric potential field and a linear response of the detection circuit to the motion of the confined ions. With this trap, the magnitude of the detected signal at a given ion cyclotron frequency varies linearly with both the number of ions of given mass-to-charge ratio and also with the magnitude-mode excitation signal at the ion cyclotron orbital frequency; the proportionality constant is mass independent. Interestingly, this linearization may be achieved with any ion trap geometry. The excitation/detection design consists of an array of capacitively coupled electrodes which provide a voltage-divider network that produces a nearly spatially homogeneous excitation electric field throughout the linearized trap; resistive coupling to the electrodes isolates the a.c. excitation (or detection) circuit from the d.c. (trapping) potential. The design is based on analytical expressions for the potential associated with each electrode, from which we are able to compute the deviation from linearity for a trap with a finite number of elements. Based on direct experimental comparisons to an unmodified cubic trap, the linearized trap demonstrates the following performance advantages at the cost of some additional mechanical complexity: (a) signal response linearly proportional to excitation electric field amplitude; (b) vastly reduced axial excitation/ejection for significantly improved ion relative abundance accuracy; (c) elimination of harmonics and sidebands of the fundamental frequencies of ion motion. As a result, FT-ICR mass spectra are now more reproducible. Moreover, the linearized trap should facilitate the characterization of other fundamental aspects of ion behavior in an ICR ion trap, e.g. effects of space charge, non-quadrupolar electrostatic trapping field, etc. Furthermore, this novel design should improve significantly the precision of ion relative abundance and mass accuracy measurements, while removing spectral artifacts of the detection process. We discuss future modifications that linearize the spatial variation of the electrostatic trapping electric field as well, thereby completing the linearization of the entire FT-ICR mass spectrometric techniques. Suggested FT-ICR mass spectrometric applications for the linearized trap are discussed.

On the multistream approach of relativistic Weibel instability. II. Bernstein-Greene-Kruskal-type waves in magnetic trapping

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

Ghizzo, A.

2013-08-15

The stationary state with magnetically trapped particles is investigated at the saturation of the relativistic Weibel instability, within the “multiring” model in a Hamiltonian framework. The multistream model and its multiring extension have been developed in Paper I, under the assumption that the generalized canonical momentum is conserved in the perpendicular direction. One dimensional relativistic Bernstein-Greene-Kruskal waves with deeply trapped particles are addressed using similar mathematical formalism developed by Lontano et al.[Phys. Plasmas 9, 2562 (2002); Phys. Plasmas 10, 639 (2003)] using several streams and in the presence of both electrostatic and magnetic trapping mechanisms.

Cryogenic buffer-gas loading and magnetic trapping of CrH and MnH molecules

NASA Astrophysics Data System (ADS)

Stoll, Michael; Bakker, Joost M.; Steimle, Timothy C.; Meijer, Gerard; Peters, Achim

2008-09-01

We report on the buffer-gas cooling and trapping of CrH and MnH molecules in a magnetic quadrupole trap with densities on the order of 106cm-3 at a temperature of 650mK . Storage times of up to 180ms have been observed, corresponding to a 20-fold lifetime enhancement with respect to the field-free diffusion through the He3 buffer-gas. Using Monte Carlo trajectory simulations, inelastic molecule- He3 collision cross sections of 1.6×10-18 and 3.1×10-17cm2 are extracted for CrH and MnH, respectively. Furthermore, elastic molecule- He3 collision cross sections of 1.4(±0.5)×10-14cm2 are determined for both species. We conclude that the confinement time of these molecules in a magnetic trapping field is limited by inelastic collisions with the helium atoms leading to Zeeman relaxation.

Electron capture dissociation in a branched radio-frequency ion trap.

PubMed

Baba, Takashi; Campbell, J Larry; Le Blanc, J C Yves; Hager, James W; Thomson, Bruce A

2015-01-06

We have developed a high-throughput electron capture dissociation (ECD) device coupled to a quadrupole time-of-flight mass spectrometer using novel branched radio frequency ion trap architecture. With this device, a low-energy electron beam can be injected orthogonally into the analytical ion beam with independent control of both the ion and electron beams. While ions and electrons can interact in a "flow-through" mode, we observed a large enhancement in ECD efficiency by introducing a short ion trapping period at the region of ion and electron beam intersection. This simultaneous trapping mode still provides up to five ECD spectra per second while operating in an information-dependent acquisition workflow. Coupled to liquid chromatography (LC), this LC-ECD workflow provides good sequence coverage for both trypsin and Lys C digests of bovine serum albumin, providing ECD spectra for doubly charged precursor ions with very good efficiency.

Assembling, cleaning, and testing a unique prototype open-ended cylindrical penning trap

NASA Astrophysics Data System (ADS)

Marble, Kassie; Shidling, Praveen; Melconian, Dan

2016-09-01

A new experimental beamline containing a prototype cylindrical penning trap has recently been constructed at the Cyclotron Laboratory at Texas A&M University. The new beamline will enable precision experiments that enhance our understanding of the limits on non-SM processes in the weak interaction through the measurement of the β- ν correlation parameter for T = 2 ,0+ ->0+ supper allowed β-delayed proton emitters. The prototype TAMU TRAP consists of an open-ended cylindrical penning trap of diameter of 90 mm with gold-plated electrodes of oxygen free high conductivity copper to prevent oxidation. The trap's electric quadrupole field is provided by a SHIP TRAPS RF electronic circuit to the four segmented electrodes at the center of the trap while the trap's 7 Tesla radial magnetic field is provided by an Agilent 210 ASR magnet. A discussion of the assembly of the prototype TAMU TRAP, construction of the RF electronic circuit, the experimental set up and alignment of the beamline will be presented. The method used to test the prototype penning trap using an ion source, Faraday cups, and Micro Chanel Plate (MCP) detectors will also be discussed. Work supported by the U.S. Department of Energy under Grant No. DE-FG02-11ER41747 and the National Science Foundation.

A highly miniaturized vacuum package for a trapped ion atomic clock

DOE PAGES

Schwindt, Peter D. D.; Jau, Yuan-Yu; Partner, Heather; ...

2016-05-12

We report on the development of a highly miniaturized vacuum package for use in an atomic clock utilizing trapped ytterbium-171 ions. The vacuum package is approximately 1 cm 3 in size and contains a linear quadrupole RF Paul ion trap, miniature neutral Yb sources, and a non-evaporable getter pump. We describe the fabrication process for making the Yb sources and assembling the vacuum package. To prepare the vacuum package for ion trapping, it was evacuated, baked at a high temperature, and then back filled with a helium buffer gas. Once appropriate vacuum conditions were achieved in the package, the packagemore » was sealed with a copper pinch-off and was then pumped only by the non-evaporable getter. We demonstrated ion trapping in this vacuum package and the operation of an atomic clock, stabilizing a local oscillator to the 12.6 GHz hyperfine transition of 171Yb +. The fractional frequency stability of the clock was measured to be 2 × 10 -11 / τ 1/2.« less

Quantitation of isobaric phosphatidylcholine species in human plasma using a hybrid quadrupole linear ion trap mass spectrometer

USDA-ARS?s Scientific Manuscript database

Phosphatidylcholine (PC) species in human plasma are used as biomarkers of disease. PC biomarkers are often limited by the inability to separate isobaric PC. In this work, we developed a targeted shotgun approach for analysis of isobaric and isomeric PC. This approach is comprised of two mass spectr...

Accelerator tube construction and characterization for a tandem-electrostatic-quadrupole for accelerator-based boron neutron capture therapy.

PubMed

Cartelli, D; Vento, V Thatar; Castell, W; Di Paolo, H; Kesque, J M; Bergueiro, J; Valda, A A; Erhardt, J; Kreiner, A J

2011-12-01

The accelerator tubes are essential components of the accelerator. Their function is to transport and accelerate a very intense proton or deuteron beam through the machine, from the ion source to the neutron production target, without significant losses. In this contribution, we discuss materials selected for the tube construction, the procedures used for their assembly and the testing performed to meet the stringent requirements to which it is subjected. Copyright © 2011 Elsevier Ltd. All rights reserved.

Vertical sizes of 1-D and 2-D electrostatic solitons with nonextensive and trapped electrons in the upper ionosphere

NASA Astrophysics Data System (ADS)

Ali Shan, Shaukat; Saleem, Hamid

2018-05-01

The vertical sizes of one-dimensional (1-D) and two dimensional (2-D) electrostatic solitons are estimated in the oxygen-hydrogen (O - H) and pure oxygen plasmas of the upper ionosphere taking into account the effects of non-extensive and trapped electrons. The field-aligned flow of oxygen ions is also considered. It is found that both electron trapping and non-extensivity play a constructive role in the formation of 1-D and 2-D solitary structures. The vertical size of the solitons is not known through observations, but here it is pointed out that the vertical size of these structures should be of the order of a few meters at the altitude of 800 km in the 1-D case. On the other hand, in the 2-D case, the vertical size is much larger than the horizontal size and it turns out to be of the order of a few kilometers, while the width is about a few hundred meters in agreement with the observations.

The Størmer problem for an aligned rotator

NASA Astrophysics Data System (ADS)

Epp, V.; Pervukhina, O. N.

2018-03-01

The effective potential energy of the particles in the field of rotating uniformly magnetized celestial body is investigated. The axis of rotation coincides with the axis of the magnetic field. Electromagnetic field of the body is composed of a dipole magnetic and quadrupole electric fields. The geometry of the trapping regions is studied as a function of the magnetic field magnitude and the rotation speed of the body. Examples of the potential energy topology for different values of these parameters are given. The main difference from the classical Størmer problem is that the single toroidal trapping region predicted by Størmer is divided into equatorial and off-equatorial trapping regions. Applicability of the idealized model of a rotating uniformly magnetized sphere with a vacuum magnetosphere to real celestial bodies is discussed.

Impact of centrifugal drifts on ion turbulent transport

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

Belli, Emily A.; Candy, J.

Here, the influence of sonic toroidal rotation on gyrokinetic stability and transport is studied, with important implications for heavy impurity dynamics. When centrifugal drifts and electrostatic trapping corrections are included, significant modifications to the calculated transport of heavy impurities are observed. These high-rotation corrections add to the standard Coriolis drift and toroidal rotation shear drive which are normally included in gyrokinetics. Yet, because of their complexity, centrifugal and electrostatic trapping terms (quadratic in the main ion Mach number) are not generally included in gyrokinetic codes. In this work, we explore the implications of using reduced descriptions of the rotational physics.more » For heavy impurities such as tungsten, cross terms due to the centrifugal force can dominate the rotation dynamics, and neglecting them is shown to lead to large errors in the impurity particle flux.« less

Impact of centrifugal drifts on ion turbulent transport

DOE PAGES

Belli, Emily A.; Candy, J.

2018-03-01

Here, the influence of sonic toroidal rotation on gyrokinetic stability and transport is studied, with important implications for heavy impurity dynamics. When centrifugal drifts and electrostatic trapping corrections are included, significant modifications to the calculated transport of heavy impurities are observed. These high-rotation corrections add to the standard Coriolis drift and toroidal rotation shear drive which are normally included in gyrokinetics. Yet, because of their complexity, centrifugal and electrostatic trapping terms (quadratic in the main ion Mach number) are not generally included in gyrokinetic codes. In this work, we explore the implications of using reduced descriptions of the rotational physics.more » For heavy impurities such as tungsten, cross terms due to the centrifugal force can dominate the rotation dynamics, and neglecting them is shown to lead to large errors in the impurity particle flux.« less

Metabolic profile of naringenin in the stomach and colon using liquid chromatography/electrospray ionization linear ion trap quadrupole-Orbitrap-mass spectrometry (LC-ESI-LTQ-Orbitrap-MS) and LC-ESI-MS/MS.

PubMed

Orrego-Lagarón, Naiara; Vallverdú-Queralt, Anna; Martínez-Huélamo, Miriam; Lamuela-Raventos, Rosa M; Escribano-Ferrer, Elvira

2016-02-20

Several biological activities (antioxidant, anti-inflammatory, anticarcinogenic) are attributed to naringenin (NAR)-a predominant flavonoid of citrus fruit and tomato-despite its low bioavailability after ingestion. NAR undergoes extensive metabolism when crossing the gastrointestinal tract, resulting in enteric, hepatic and microbial metabolites, some of them with recognized beneficial effects on human health. This study sought to provide new insights into the metabolism of NAR in regions of the gastrointestinal tract where it has been less studied: the stomach and colon. With this purpose, liquid chromatography coupled with an electrospray ionization hybrid linear ion trap quadrupole Orbitrap mass spectrometry technique (LC-ESI-LTQ-Orbitrap-MS) was used for an accurate identification of NAR metabolites, and liquid chromatography/electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS) on a triple quadrupole was used for their identification and quantification. The combination of both analytical techniques provided a broader metabolic profile of NAR. As far as we know, this is the first in-depth metabolic profiling study of NAR in the stomach of mice. Three of the metabolites determined using the LC-LTQ-Orbitrap could not be identified by LC-ESI-MS/MS in stomach perfusion samples: apigenin, 3-(4-hydroxyphenyl) propionic acid and phloroglucinol. The number of colonic metabolites determined using the LTQ-Orbitrap-MS was more than twice the number identified by LC-ESI-MS/MS. Copyright © 2015 Elsevier B.V. All rights reserved.

Electrostatic Charging and Particle Interactions in Microscopic Insulating Grains

NASA Astrophysics Data System (ADS)

Lee, Victor

In this thesis, we experimentally investigate the electrostatic charging as well as the particle interactions in microscopic insulating grains. First, by tracking individual grains accelerated in an electric field, we quantitatively demonstrate that tribocharging of same-material grains depends on particle size. Large grains tend to charge positively, and small ones tend to charge negatively. Theories based on the transfer of trapped electrons can explain this tendency but have not been validated. Here we show that the number of trapped electrons, measured independently by a thermoluminescence technique, is orders of magnitude too small to be responsible for the amount of charge transferred. This result reveals that trapped electrons are not responsible for same-material tribocharging of dielectric particles. Second, same-material tribocharging in grains can result in important long-range electrostatic interactions. However, how these electrostatic interactions contribute to particle clustering remains elusive, primarily due to the lack of direct, detailed observations. Using a high-speed camera that falls with a stream charged grains, we observe for the first time how charged grains can undergo attractive as well as repulsive Kepler-like orbits. Charged particles can be captured in their mutual electrostatic potential and form clusters via multiple bounces. Dielectric polarization effects are directly observed, which lead to additional attractive forces and stabilize "molecule-like" arrangements of charged particles. Third, we have developed a new method to study the charge transfer of microscopic particles based on acoustic levitation techniques. This method allows us to narrow the complex problem of many-particle charging down to precise charge measurements of a single sub-millimeter particle colliding with a target plate. By simply attaching nonpolar groups onto glass surfaces, we show that the contact charging of a particle is highly dependent on hydrophobicity. Charging between a hydrophilic and a hydrophobic surface is enhanced in a basic atmosphere and suppressed in an acidic one. Moreover, hydrophobicity is also found to play a key role in particle charging driven by an external electric field. These results strongly support the idea that aqueous-ion transfer is responsible for the particle contact charging phenomenon.

Development of a radio-frequency quadrupole cooler for high beam currents

NASA Astrophysics Data System (ADS)

Boussaid, Ramzi; Ban, G.; Quéméner, G.; Merrer, Y.; Lorry, J.

2017-12-01

The SHIRaC prototype is a recently developed radio-frequency quadrupole (RFQ) beam cooler with an improved optics design to deliver the required beam quality to a high resolution separator (HRS). For an isobaric separation of isotopes, the HRS demands beams with emittance not exceeding 3 π mm mrad and longitudinal energy spread ˜1 eV . Simulation studies showed a significant contribution of the buffer gas diffusion, space charge effect and mainly the rf fringe field to degrade the achieved beam quality at the RFQ exit. A miniature rf quadrupole (μ RFQ ) has been implemented at that exit to remove the degrading effects and provide beams with 1 eV of energy spread and around 1.75 π mm mrad of emittance for 4 Pa gas pressure. This solution enables also to transmit more than 60% of the incoming ions for currents up to 1 μ A . Detailed studies of this development are presented and discussed in this paper. Transport of beams from SHIRaC towards the HRS has been done with an electrostatic quadrupole triplet. Simulations and first experimental tests showed that more than 95% of ions can reach the HRS. Because SPIRAL-2 beams are of high current and very radioactive, the buffer gas will be highly contaminated. Safe maintenance of the SHIRaC beam line needs exceptional treatment of radioactive contaminants. For that, special vinyl sleep should be mounted on elements to be maintained. A detailed maintenance process will be presented.

Multipurpose Dissociation Cell for Enhanced ETD of Intact Protein Species

PubMed Central

Rose, Christopher M.; Russell, Jason D.; Ledvina, Aaron R.; McAlister, Graeme C.; Westphall, Michael S.; Griep-Raming, Jens; Schwartz, Jae C.; Coon, Joshua J.; Syka, John E.P.

2013-01-01

We describe and characterize an improved implementation of ETD on a modified hybrid linear ion trap-Orbitrap instrument. Instead of performing ETD in the mass-analyzing quadrupole linear ion trap (A-QLT), the instrument collision cell was modified to enable ETD. We partitioned the collision cell into a multi-section RF ion storage and transfer device to enable injection and simultaneous separate storage of precursor and reagent ions. Application of a secondary (axial) confinement voltage to the cell end lens electrodes enables charge-sign independent trapping for ion-ion reactions. The approximately two-fold higher quadrupole field frequency of this cell relative to that of the A-QLT, enables higher reagent ion densities and correspondingly faster ETD reactions, and, with the collision cell’s longer axial dimensions, larger populations of precursor ions may be reacted. The higher ion capacity of the collision cell permits the accumulation and reaction of multiple full loads of precursor ions from the A-QLT followed by FT Orbitrap m/z analysis of the ETD product ions. This extends the intra-scan dynamic range by increasing the maximum number of product ions in a single MS/MS event. For analyses of large peptide/small protein precursor cations, this reduces or eliminates the need for spectral averaging to achieve acceptable ETD product ion signal-to-noise levels. Using larger ion populations, we demonstrate improvements in protein sequence coverage and aggregate protein identifications in LC-MS/MS analysis of intact protein species as compared to the standard ETD implementation. PMID:23609185

The Argon Geochronology Experiment (AGE)

NASA Technical Reports Server (NTRS)

Swindle, T. D.; Bode, R.; Fennema, A.; Chutjian, A.; MacAskill, J. A.; Darrach, M. R.; Clegg, S. M.; Wiens, R. C.; Cremers, D.

2006-01-01

This viewgraph presentation reviews the Argon Geochronology Experiment (AGE). Potassium-Argon dating is shown along with cosmic ray dating exposure. The contents include a flow diagram of the Argon Geochronology Experiment, and schematic diagrams of the mass spectrometer vacuum system, sample manipulation mechanism, mineral heater oven, and the quadrupole ion trap mass spectrometer. The Laser-Induced Breakdown Spectroscopy (LIBS) Operation with elemental abundances is also described.

Laser ablation synthesis of arsenic-phosphide Asm Pn clusters from As-P mixtures. Laser desorption ionisation with quadrupole ion trap time-of-flight mass spectrometry: The mass spectrometer as a synthesizer.

PubMed

Kubáček, Pavel; Prokeš, Lubomír; Pamreddy, Annapurna; Peña-Méndez, Eladia María; Conde, José Elias; Alberti, Milan; Havel, Josef

2018-05-30

Only a few arsenic phosphides are known. A high potential for the generation of new compounds is offered by Laser Ablation Synthesis (LAS) and when Laser Desorption Ionization (LDI) is coupled with simultaneous Time-Of-Flight Mass Spectrometry (TOFMS), immediate identification of the clusters can be achieved. LAS was used for the generation of arsenic phosphides via laser ablation of phosphorus-arsenic mixtures while quadrupole ion trap time-of-flight mass spectrometry (QIT-TOFMS) was used to acquire the mass spectra. Many new As m P n ± clusters (479 binary and 369 mono-elemental) not yet described in the literature were generated in the gas phase and their stoichiometry determined. The likely structures for some of the observed clusters arbitrary selected (20) were computed by density functional theory (DFT) optimization. LAS is an advantageous approach for the generation of new As m P n clusters, while mass spectrometry was found to be an efficient technique for the determination of cluster stoichiometry. The results achieved might inspire the synthesis of new materials. Copyright © 2018 John Wiley & Sons, Ltd.

Peptide profiling of Internet-obtained Cerebrolysin using high performance liquid chromatography - electrospray ionization ion trap and ultra high performance liquid chromatography - ion mobility - quadrupole time of flight mass spectrometry.

PubMed

Gevaert, Bert; D'Hondt, Matthias; Bracke, Nathalie; Yao, Han; Wynendaele, Evelien; Vissers, Johannes Petrus Cornelis; De Cecco, Martin; Claereboudt, Jan; De Spiegeleer, Bart

2015-09-01

Cerebrolysin, a parenteral peptide preparation produced by controlled digestion of porcine brain proteins, is an approved nootropic medicine in some countries. However, it is also easily and globally available on the Internet. Nevertheless, until now, its exact chemical composition was unknown. Using high performance liquid chromatography (HPLC) coupled to ion trap and ultra high performance liquid chromatography (UHPLC) coupled to quadrupole-ion mobility-time-of-flight mass spectrometry (Q-IM-TOF MS), combined with UniProt pig protein database search and PEAKS de novo sequencing, we identified 638 unique peptides in an Internet-obtained Cerebrolysin sample. The main components in this sample originate from tubulin alpha- and beta-chain, actin, and myelin basic protein. No fragments of known neurotrophic factors like glial cell-derived neurotrophic factor (GDNF), neurotrophin nerve growth factor (NGF), brain-derived neurotrophic factor (BDNF), and ciliary neurotrophic factor (CNTF) were found, suggesting that the activities reported in the literature are likely the result of new, hitherto unknown cryptic peptides with nootropic properties. Copyright © 2015 John Wiley & Sons, Ltd.

Systematic Analysis of Absorbed Anti-Inflammatory Constituents and Metabolites of Sarcandra glabra in Rat Plasma Using Ultra-High-Pressure Liquid Chromatography Coupled with Linear Trap Quadrupole Orbitrap Mass Spectrometry

PubMed Central

Li, Xiong; Zhao, Jin; Liu, Jianxing; Li, Geng; Zhao, Ya; Zeng, Xing

2016-01-01

Ultra-high-pressure liquid chromatography (UHPLC) was coupled with linear ion trap quadrupole Orbitrap mass spectrometry (LTQ-Orbitrap) and was used for the first time to systematically analyze the absorbed components and metabolites in rat plasma after oral administration of the water extract of Sarcandra glabra. This extract is a well-known Chinese herbal medicine for the treatment of inflammation and immunity related diseases. The anti-inflammatory activities of the absorbed components were evaluated by measuring nitric oxide (NO) production and proinflammatory genes expression in lipopolysaccharide (LPS)-stimulated murine RAW 264.7 macrophages. As a result, 54 components in Sarcandra glabra were detected in dosed rat plasma, and 36 of them were positively identified. Moreover, 23 metabolites were characterized and their originations were traced. Furthermore, 20 of the 24 studied components showed anti-inflammatory activities. These results provide evidence that this method efficiency detected constituents in plasma based on the anti-inflammatory mechanism of multiple components and would be a useful technique for screening multiple targets for natural medicine research. PMID:26974321

Linear Ion Traps in Space: The Mars Organic Molecule Analyzer (MOMA) Instrument and Beyond

NASA Astrophysics Data System (ADS)

Arevalo, Ricardo; Brinckerhoff, William; Mahaffy, Paul; van Amerom, Friso; Danell, Ryan; Pinnick, Veronica; Li, Xiang; Hovmand, Lars; Getty, Stephanie; Grubisic, Andrej; Goesmann, Fred; Cottin, Hervé

2015-11-01

Historically, quadrupole mass spectrometer (QMS) instruments have been used to explore a wide survey of planetary targets in our solar system, from Venus (Pioneer Venus) to Saturn (Cassini-Huygens). However, linear ion trap (LIT) mass spectrometers have found a niche as smaller, versatile alternatives to traditional quadrupole analyzers.The core astrobiological experiment of ESA’s ExoMars Program is the Mars Organic Molecule Analyzer (MOMA) onboard the ExoMars 2018 rover. The MOMA instrument is centered on a linear (or 2-D) ion trap mass spectrometer. As opposed to 3-D traps, LIT-based instruments accommodate two symmetrical ion injection pathways, enabling two complementary ion sources to be used. In the case of MOMA, these two analytical approaches are laser desorption mass spectrometry (LDMS) at Mars ambient pressures, and traditional gas chromatography mass spectrometry (GCMS). The LIT analyzer employed by MOMA also offers: higher ion capacity compared to a 3-D trap of the same volume; redundant detection subassemblies for extended lifetime; and, a link to heritage QMS designs and assembly logistics. The MOMA engineering test unit (ETU) has demonstrated the detection of organics in the presence of wt.%-levels of perchlorate, effective ion enhancement via stored waveform inverse Fourier transform (SWIFT), and derivation of structural information through tandem mass spectrometry (MS/MS).A more progressive linear ion trap mass spectrometer (LITMS), funded by the NASA ROSES MatISSE Program, is being developed at NASA GSFC and promises to augment the capabilities of the MOMA instrument by way of: an expanded mass range (i.e., 20 - 2000 Da); detection of both positive and negative ions; spatially resolved (<1 mm) characterization of individual rock core layers; and, evolved gas analysis and GCMS with pyrolysis up to 1300° C (enabling breakdown of refractory phases). The Advanced Resolution Organic Molecule Analyzer (AROMA) instrument, being developed through NASA PICASSO and ESA Research and Development Programs, combines a highly capable LIT front end (a la LITMS) with a high-resolution OrbitrapTM (a la CosmOrbitrap) mass analyzer to enable disambiguation of complex molecular signals in organic-rich targets.

A compact linear accelerator based on a scalable microelectromechanical-system RF-structure

DOE PAGES

Persaud, A.; Ji, Q.; Feinberg, E.; ...

2017-06-08

Here, a new approach for a compact radio-frequency (RF) accelerator structure is presented. The new accelerator architecture is based on the Multiple Electrostatic Quadrupole Array Linear Accelerator (MEQALAC) structure that was first developed in the 1980s. The MEQALAC utilized RF resonators producing the accelerating fields and providing for higher beam currents through parallel beamlets focused using arrays of electrostatic quadrupoles (ESQs). While the early work obtained ESQs with lateral dimensions on the order of a few centimeters, using a printed circuit board (PCB), we reduce the characteristic dimension to the millimeter regime, while massively scaling up the potential number ofmore » parallel beamlets. Using Microelectromechanical systems scalable fabrication approaches, we are working on further red ucing the characteristic dimension to the sub-millimeter regime. The technology is based on RF-acceleration components and ESQs implemented in the PCB or silicon wafers where each beamlet passes through beam apertures in the wafer. The complete accelerator is then assembled by stacking these wafers. This approach has the potential for fast and inexpensive batch fabrication of the components and flexibility in system design for application specific beam energies and currents. For prototyping the accelerator architecture, the components have been fabricated using the PCB. In this paper, we present proof of concept results of the principal components using the PCB: RF acceleration and ESQ focusing. Finally, ongoing developments on implementing components in silicon and scaling of the accelerator technology to high currents and beam energies are discussed.« less

A compact linear accelerator based on a scalable microelectromechanical-system RF-structure

NASA Astrophysics Data System (ADS)

Persaud, A.; Ji, Q.; Feinberg, E.; Seidl, P. A.; Waldron, W. L.; Schenkel, T.; Lal, A.; Vinayakumar, K. B.; Ardanuc, S.; Hammer, D. A.

2017-06-01

A new approach for a compact radio-frequency (RF) accelerator structure is presented. The new accelerator architecture is based on the Multiple Electrostatic Quadrupole Array Linear Accelerator (MEQALAC) structure that was first developed in the 1980s. The MEQALAC utilized RF resonators producing the accelerating fields and providing for higher beam currents through parallel beamlets focused using arrays of electrostatic quadrupoles (ESQs). While the early work obtained ESQs with lateral dimensions on the order of a few centimeters, using a printed circuit board (PCB), we reduce the characteristic dimension to the millimeter regime, while massively scaling up the potential number of parallel beamlets. Using Microelectromechanical systems scalable fabrication approaches, we are working on further reducing the characteristic dimension to the sub-millimeter regime. The technology is based on RF-acceleration components and ESQs implemented in the PCB or silicon wafers where each beamlet passes through beam apertures in the wafer. The complete accelerator is then assembled by stacking these wafers. This approach has the potential for fast and inexpensive batch fabrication of the components and flexibility in system design for application specific beam energies and currents. For prototyping the accelerator architecture, the components have been fabricated using the PCB. In this paper, we present proof of concept results of the principal components using the PCB: RF acceleration and ESQ focusing. Ongoing developments on implementing components in silicon and scaling of the accelerator technology to high currents and beam energies are discussed.

A compact linear accelerator based on a scalable microelectromechanical-system RF-structure.

PubMed

Persaud, A; Ji, Q; Feinberg, E; Seidl, P A; Waldron, W L; Schenkel, T; Lal, A; Vinayakumar, K B; Ardanuc, S; Hammer, D A

2017-06-01

A new approach for a compact radio-frequency (RF) accelerator structure is presented. The new accelerator architecture is based on the Multiple Electrostatic Quadrupole Array Linear Accelerator (MEQALAC) structure that was first developed in the 1980s. The MEQALAC utilized RF resonators producing the accelerating fields and providing for higher beam currents through parallel beamlets focused using arrays of electrostatic quadrupoles (ESQs). While the early work obtained ESQs with lateral dimensions on the order of a few centimeters, using a printed circuit board (PCB), we reduce the characteristic dimension to the millimeter regime, while massively scaling up the potential number of parallel beamlets. Using Microelectromechanical systems scalable fabrication approaches, we are working on further reducing the characteristic dimension to the sub-millimeter regime. The technology is based on RF-acceleration components and ESQs implemented in the PCB or silicon wafers where each beamlet passes through beam apertures in the wafer. The complete accelerator is then assembled by stacking these wafers. This approach has the potential for fast and inexpensive batch fabrication of the components and flexibility in system design for application specific beam energies and currents. For prototyping the accelerator architecture, the components have been fabricated using the PCB. In this paper, we present proof of concept results of the principal components using the PCB: RF acceleration and ESQ focusing. Ongoing developments on implementing components in silicon and scaling of the accelerator technology to high currents and beam energies are discussed.

[Determination of hydroxyproline in liver tissue by hydrophilic interaction chromatography-quadrupole/electrostatic field orbitrap high resolution mass spectrometry].

PubMed

Liu, Wei; Qi, Shenglan; Xu, Ying; Xiao, Zhun; Fu, Yadong; Chen, Jiamei; Yang, Tao; Liu, Ping

2017-12-08

A method for the determination of hydroxyproline (Hyp) in liver tissue of mice by hydrophilic interaction chromatography-quadrupole/electrostatic field orbitrap high resolution mass spectrometry (HILIC-HRMS) was developed. The liver tissue samples of normal mice and liver fibrosis mice induced by carbon tetrachloride were hydrolyzed by concentrated hydrochloric acid. After filtrated and diluted by solution, the diluent was separated on an Hypersil GOLD HILIC column (100 mm×2.1 mm, 3 μm). Water-acetonitrile (28:72, v/v)were used as the mobile phases with isocratic elution. Finally, the target analytes were detected in positive model by HRMS equipped with an electrospray ionization source. The linear range of hydroxyproline was from 0.78 to 100.00 μg/L with the correlation coefficient ( R 2 ) of 0.9983. The limit of quantification was 0.78 μg/L. By detecting the spiked samples, the recoveries were in the range of 97.4%-100.9% with the relative standard deviations (RSDs) between 1.4% and 2.0%. In addition, comparison of the measurement results by this method and the chloramine T method was proceeded. It was found that the linear correlation between the two methods was very good, and the Pearson correlation coefficient was 0.927. And this method had simpler operation procedure and higher accuracy than chloramine T method. This method can be used for the quick determination of hydroxyproline in liver tissue samples.

[Determination of 11 mycotoxins in baked foods and raw materials by ultra performance liquid chromatography-quadrupole/electrostatic field orbitrap high-resolution mass spectrometry].

PubMed

Li, Rong; He, Chunmei; Yang, Luqi; Wang, Yong; Zhang, Pengjie; Gao, Yongqing

2017-08-08

A method for the determination of 11 mycotoxins in baked foods and raw materials by ultra-high performance liquid chromatography-quadrupole/electrostatic field orbitrap high-resolution mass spectrometry (UPLC-HRMS) is reported in this paper. The samples were extracted with 20 mL 90% (v/v) acetonitrile aqueous solution containing 1% (v/v) formic acid, and the extracts were salted out by 2.0 g MgSO 4 and 0.5 g NaCl, cleaned up by 300 mg C18. The analytes were carried out on a CORTECS C18 column (100 mm×2.1 mm, 1.6 μ m) by gradient elution with 2 mmol/L ammonium acetate with 0.1% (v/v) formic acid aqueous solution and 2 mmol/L ammonium acetate methanol with 0.1% (v/v) formic acid. The results showed that the 11 mycotoxins had good linear relationships in their respective mass concentration ranges. The correlation coefficients were not less than 0.9960 and the limits of quantitation (LOQs) were from 0.15 to 20.00 μ g/kg. The recoveries of the 11 mycotoxins in bread ranged from 64.38% to 122.61% with the relative standard deviations (RSDs) from 1.52% to 12.99% at three spiked levels ( n =6). The method is demonstrated to be simple, fast, highly sensitive, reliable and it is effective to detect common mycotoxins in baked foods and raw materials.

Point Charges Optimally Placed to Represent the Multipole Expansion of Charge Distributions

PubMed Central

Onufriev, Alexey V.

2013-01-01

We propose an approach for approximating electrostatic charge distributions with a small number of point charges to optimally represent the original charge distribution. By construction, the proposed optimal point charge approximation (OPCA) retains many of the useful properties of point multipole expansion, including the same far-field asymptotic behavior of the approximate potential. A general framework for numerically computing OPCA, for any given number of approximating charges, is described. We then derive a 2-charge practical point charge approximation, PPCA, which approximates the 2-charge OPCA via closed form analytical expressions, and test the PPCA on a set of charge distributions relevant to biomolecular modeling. We measure the accuracy of the new approximations as the RMS error in the electrostatic potential relative to that produced by the original charge distribution, at a distance the extent of the charge distribution–the mid-field. The error for the 2-charge PPCA is found to be on average 23% smaller than that of optimally placed point dipole approximation, and comparable to that of the point quadrupole approximation. The standard deviation in RMS error for the 2-charge PPCA is 53% lower than that of the optimal point dipole approximation, and comparable to that of the point quadrupole approximation. We also calculate the 3-charge OPCA for representing the gas phase quantum mechanical charge distribution of a water molecule. The electrostatic potential calculated by the 3-charge OPCA for water, in the mid-field (2.8 Å from the oxygen atom), is on average 33.3% more accurate than the potential due to the point multipole expansion up to the octupole order. Compared to a 3 point charge approximation in which the charges are placed on the atom centers, the 3-charge OPCA is seven times more accurate, by RMS error. The maximum error at the oxygen-Na distance (2.23 Å ) is half that of the point multipole expansion up to the octupole order. PMID:23861790

Nonlinear regime of electrostatic waves propagation in presence of electron-electron collisions

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

Pezzi, Oreste; Valentini, Francesco; Veltri, Pierluigi

2015-04-15

The effects are presented of including electron-electron collisions in self-consistent Eulerian simulations of electrostatic wave propagation in nonlinear regime. The electron-electron collisions are approximately modeled through the full three-dimensional Dougherty collisional operator [J. P. Dougherty, Phys. Fluids 7, 1788 (1964)]; this allows the elimination of unphysical byproducts due to reduced dimensionality in velocity space. The effects of non-zero collisionality are discussed in the nonlinear regime of the symmetric bump-on-tail instability and in the propagation of the so-called kinetic electrostatic electron nonlinear (KEEN) waves [T. W. Johnston et al., Phys. Plasmas 16, 042105 (2009)]. For both cases, it is shown howmore » collisions work to destroy the phase-space structures created by particle trapping effects and to damp the wave amplitude, as the system returns to the thermal equilibrium. In particular, for the case of the KEEN waves, once collisions have smoothed out the trapped particle population which sustains the KEEN fluctuations, additional oscillations at the Langmuir frequency are observed on the fundamental electric field spectral component, whose amplitude decays in time at the usual collisionless linear Landau damping rate.« less

Measurement System of Surface Electrostatic Potential on Insulation Board in Vacuum and its Application

NASA Astrophysics Data System (ADS)

Morita, Hiroshi; Hatanaka, Ayumu; Yokosuka, Toshiyuki; Seki, Yoshitaka; Tsumuraya, Yoshiaki; Doi, Motomichi

The measurement system of the surface electrostatic potential on a solid insulation board in vacuum has been developed. We used this system to measure the electrostatic potential distribution of the surface of a borosilicate glass plate applied a high voltage. A local increase in the electric field was observed. It is considered that this phenomenon is caused by a positive electrostatic charge generated by a secondary emission of field emission electrons from an electrode. On the other hand, a local increase in the electric field was not observed on a glass plate coated with silica particles and a glass plate roughened by sandblast. We reasoned that this could be because the electrons were trapped by the roughness of the surface. It is considered that these phenomena make many types of equipment using the vacuum insulation more reliable.

Optical and magnetic measurements of gyroscopically stabilized graphene nanoplatelets levitated in an ion trap

NASA Astrophysics Data System (ADS)

Nagornykh, Pavel; Coppock, Joyce E.; Murphy, Jacob P. J.; Kane, B. E.

2017-07-01

Using optical measurements, we demonstrate that the rotation of micron-scale graphene nanoplatelets levitated in a quadrupole ion trap in high vacuum can be frequency-locked to an applied radiofrequency electric field Erf. Over time, frequency-locking stabilizes the nanoplatelet so that its axis of rotation is normal to the nanoplatelet and perpendicular to Erf. We observe that residual slow dynamics of the direction of the axis of rotation in the plane normal to Erf is determined by an applied magnetic field. We present a simple model that accurately describes our observations. From our data and model, we can infer both a diamagnetic polarizability and a magnetic moment proportional to the frequency of rotation, which we compare to theoretical values. Our results establish that trapping technologies have applications for materials measurements at the nanoscale.

Electrostatic ``bounce'' instability in a magnetotail configuration

NASA Astrophysics Data System (ADS)

Fruit, G.; Louarn, P.; Tur, A.

2013-02-01

To understand the possible destabilization of two-dimensional current sheets, a kinetic model is proposed to describe the resonant interaction between electrostatic modes and trapped particles that bounce within the sheet. This work follows the initial investigation by Tur et al. [Phys. Plasmas 17, 102905 (2010)] that is revised and extended. Using a quasi-parabolic equilibrium state, the linearized gyro-kinetic Vlasov equation is solved for electrostatic fluctuations with period of the order of the electron bounce period. Using an appropriated Fourier expansion of the particle motion along the magnetic field, the complete time integration of the non-local perturbed distribution functions is performed. The dispersion relation for electrostatic modes is then obtained through the quasineutrality condition. It is found that strongly unstable electrostatic modes may develop provided that the current sheet is moderately stretched and, more important, that the proportion of passing particle remains small (less than typically 10%). This strong but finely tuned instability may offer opportunities to explain features of magnetospheric substorms.

A highly miniaturized vacuum package for a trapped ion atomic clock

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

Schwindt, Peter D. D., E-mail: pschwin@sandia.gov; Jau, Yuan-Yu; Partner, Heather

2016-05-15

We report on the development of a highly miniaturized vacuum package for use in an atomic clock utilizing trapped ytterbium-171 ions. The vacuum package is approximately 1 cm{sup 3} in size and contains a linear quadrupole RF Paul ion trap, miniature neutral Yb sources, and a non-evaporable getter pump. We describe the fabrication process for making the Yb sources and assembling the vacuum package. To prepare the vacuum package for ion trapping, it was evacuated, baked at a high temperature, and then back filled with a helium buffer gas. Once appropriate vacuum conditions were achieved in the package, it wasmore » sealed with a copper pinch-off and was subsequently pumped only by the non-evaporable getter. We demonstrated ion trapping in this vacuum package and the operation of an atomic clock, stabilizing a local oscillator to the 12.6 GHz hyperfine transition of {sup 171}Y b{sup +}. The fractional frequency stability of the clock was measured to be 2 × 10{sup −11}/τ{sup 1/2}.« less

New apparatus of single particle trap system for aerosol visualization

NASA Astrophysics Data System (ADS)

Higashi, Hidenori; Fujioka, Tomomi; Endo, Tetsuo; Kitayama, Chiho; Seto, Takafumi; Otani, Yoshio

2014-08-01

Control of transport and deposition of charged aerosol particles is important in various manufacturing processes. Aerosol visualization is an effective method to directly observe light scattering signal from laser-irradiated single aerosol particle trapped in a visualization cell. New single particle trap system triggered by light scattering pulse signal was developed in this study. The performance of the device was evaluated experimentally. Experimental setup consisted of an aerosol generator, a differential mobility analyzer (DMA), an optical particle counter (OPC) and the single particle trap system. Polystylene latex standard (PSL) particles (0.5, 1.0 and 2.0 μm) were generated and classified according to the charge by the DMA. Singly charged 0.5 and 1.0 μm particles and doubly charged 2.0 μm particles were used as test particles. The single particle trap system was composed of a light scattering signal detector and a visualization cell. When the particle passed through the detector, trigger signal with a given delay time sent to the solenoid valves upstream and downstream of the visualization cell for trapping the particle in the visualization cell. The motion of particle in the visualization cell was monitored by CCD camera and the gravitational settling velocity and the electrostatic migration velocity were measured from the video image. The aerodynamic diameter obtained from the settling velocity was in good agreement with Stokes diameter calculated from the electrostatic migration velocity for individual particles. It was also found that the aerodynamic diameter obtained from the settling velocity was a one-to-one function of the scattered light intensity of individual particles. The applicability of this system will be discussed.

Mass Spectrometry for Research and Application in Therapeutic Drug Monitoring or Clinical and Forensic Toxicology.

PubMed

Maurer, Hans H

2018-04-30

This paper reviews current applications of various hyphenated low- and high-resolution mass spectrometry techniques in the field of therapeutic drug monitoring and clinical/forensic toxicology in both research and practice. They cover gas chromatography, liquid chromatography, matrix-assisted laser desorption ionization, or paper spray ionization coupled to quadrupole, ion trap, time-of-flight, or Orbitrap mass analyzers.

Infrared Multiphoton Dissociation for Quantitative Shotgun Proteomics

PubMed Central

Ledvina, Aaron R.; Lee, M. Violet; McAlister, Graeme C.; Westphall, Michael S.; Coon, Joshua J.

2012-01-01

We modified a dual-cell linear ion trap mass spectrometer to perform infrared multiphoton dissociation (IRMPD) in the low pressure trap of a dual-cell quadrupole linear ion trap (dual cell QLT) and perform large-scale IRMPD analyses of complex peptide mixtures. Upon optimization of activation parameters (precursor q-value, irradiation time, and photon flux), IRMPD subtly, but significantly outperforms resonant excitation CAD for peptides identified at a 1% false-discovery rate (FDR) from a yeast tryptic digest (95% confidence, p = 0.019). We further demonstrate that IRMPD is compatible with the analysis of isobaric-tagged peptides. Using fixed QLT RF amplitude allows for the consistent retention of reporter ions, but necessitates the use of variable IRMPD irradiation times, dependent upon precursor mass-to-charge (m/z). We show that IRMPD activation parameters can be tuned to allow for effective peptide identification and quantitation simultaneously. We thus conclude that IRMPD performed in a dual-cell ion trap is an effective option for the large-scale analysis of both unmodified and isobaric-tagged peptides. PMID:22480380

Ultra High Mass Range Mass Spectrometer System

DOEpatents

Reilly, Peter T. A. [Knoxville, TN

2005-12-06

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

Recent Developments in Microwave Ion Clocks

NASA Astrophysics Data System (ADS)

Prestage, John D.; Tjoelker, Robert L.; Maleki, Lute

We review the development of microwave-frequency standards based on trapped ions. Following two distinct paths, microwave ion clocks have evolved greatly in the last twenty years since the earliest Paul-trap-based units. Laser-cooled ion frequency standards reduce the second-order Doppler shift from ion micromotion and thermal secular motion achieving good signal-to-noise ratios via cycling transitions where as many as ~10^8 photons per second per ion may be scattered. Today, laser-cooled ion standards are based on linear Paul traps which hold ions near the node line of the trapping electric field, minimizing micromotion at the trapping-field frequency and the consequent second-order Doppler frequency shift. These quadrupole (radial) field traps tightly confine tens of ions to a crystalline single-line structure. As more ions are trapped, space charge forces some ions away from the node-line axis and the second-order Doppler effect grows larger, even at negligibly small secular temperatures. Buffer-gas-cooled clocks rely on large numbers of ions, typically ~10^7, optically pumped by a discharge lamp at a scattering rate of a few photons per second per ion. To reduce the second-order Doppler shift from space charge repulsion of ions from the trap node line, novel multipole ion traps are now being developed where ions are weakly bound with confining fields that are effectively zero through the trap interior and grow rapidly near the trap electrode ``walls''.

Tandem-ESQ for Accelerator-Based Boron Neutron Capture Therapy (AB-BNCT)

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

Kreiner, A. J.; Escuela de Ciencia y Tecnologia, Universidad de Gral San Martin; CONICET,

2007-02-12

A folded tandem, with 1.25 MV terminal voltage, combined with an ElectroStatic Quadrupole (ESQ) chain is being proposed as a machine for Accelerator-Based Boron Neutron Capture Therapy (AB-BNCT). The machine is shown to be capable of accelerating a 30 mA proton beam to 2.5 MeV. These are the specifications needed to produce sufficiently intense and clean epithermal neutron beams, based on the on the 7Li(p,n)7Be reaction, to perform BNCT treatment for deep seated tumors in less than an hour.

Improved sensitivity of ochratoxin A analysis in coffee using high-performance liquid chromatography with hybrid triple quadrupole-linear ion trap mass spectrometry (LC-QqQLIT-MS/MS).

PubMed

Kokina, Aija; Pugajeva, Iveta; Bartkevics, Vadims

2016-01-01

A novel and sensitive method utilising high-performance liquid chromatography coupled to triple quadrupole-linear ion trap mass spectrometry (LC-QqQLIT-MS/MS) was developed in order to analyse the content of ochratoxin A (OTA) in coffee samples. The introduction of the triple-stage MS scanning mode (MS(3)) has been shown to increase greatly sensitivity and selectivity by eliminating the high chromatographic baseline caused by interference of complex coffee matrices. The analysis included the sample preparation procedure involving extraction of OTA using a methanol-water mixture and clean-up by immunoaffinity columns and detection using the MS(3) scanning mode of LC-QqQLIT-MS/MS. The proposed method offered a good linear correlation (r(2) > 0.998), excellent precision (RSD < 2.9%) and recovery (94%). The limit of quantification (LOQ) for coffee beans and espresso beverages was 0.010 and 0.003 µg kg(-1), respectively. The developed procedure was compared with traditional methods employing liquid chromatography coupled to fluorescent and tandem quadrupole detectors in conjunction with QuEChERS and solid-phase extraction. The proposed method was successfully applied to the determination of OTA in 15 samples of coffee beans and in 15 samples of espresso coffee beverages obtained from the Latvian market. OTA was found in 10 samples of coffee beans and in two samples of espresso in the ranges of 0.018-1.80 µg kg(-1) and 0.020-0.440 µg l(-1), respectively. No samples exceeded the maximum permitted level of OTA in the European Union (5.0 µg kg(-1)).

Pulsed Multiple Reaction Monitoring Approach to Enhancing Sensitivity of a Tandem Quadrupole Mass Spectrometer

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

Belov, Mikhail E.; Prasad, Satendra; Prior, David C.

2011-02-23

Liquid chromatography (LC)-triple quadrupole mass spectrometers operating in a Multiple Reaction Monitoring (MRM) mode are increasingly used for quantitative analysis of low abundance analytes in highly complex biochemical matrices. After development and selection of optimum MRM transition, sensitivity and data quality limitations are largely related to mass spectral peak interferences from sample or matrix constituents and statistical limitations at low number of ions reaching the detector. Herein, we report a new approach to enhancing MRM sensitivity by converting the continuous stream of ions from the ion source into a pulsed ion beam through the use of an Ion Funnel Trapmore » (IFT). Evaluation of the pulsed MRM approach was performed with a tryptic digest of Shewanella oneidensis strain MR-1 spiked with several reference peptides. The sensitivity improvement observed with the IFT coupled to the triple quadrupole instrument is based on several unique features. First, ion accumulation in the radio frequency (RF) ion trap facilitates improved droplet desolvation, which is manifested in the reduced background ion noise at the detector. Second, signal amplitude for a given transition is enhanced because of an order-of-magnitude increase in the ion charge density per unit time compared to a continuous mode of operation. Third, signal detection at the full duty cycle is obtained, as the trap use eliminates dead times between transitions, which are inevitable with continuous ion streams. In comparison with the conventional approach, the pulsed MRM signals showed up to 5-fold enhanced peak amplitude and 2-3 fold reduced chemical background, resulting in an improvement in the limit of detection (LOD) by a factor of ~ 4 to ~ 8.« less

Extending the Dynamic Range of the Ion Trap by Differential Mobility Filtration

PubMed Central

Hall, Adam B.; Coy, Stephen L.; Kafle, Amol; Glick, James; Nazarov, Erkinjon

2013-01-01

A miniature, planar, differential ion mobility spectrometer (DMS) was interfaced to an LCQ classic ion trap to conduct selective ion filtration prior to mass analysis in order to extend the dynamic range of the trap. Space charge effects are known to limit the functional ion storage capacity of ion trap mass analyzers and this, in turn, can affect the quality of the mass spectral data generated. This problem is further exacerbated in the analysis of mixtures where the indiscriminate introduction of matrix ions results in premature trap saturation with non-targeted species, thereby reducing the number of parent ions that may be used to conduct MS/MS experiments for quantitation or other diagnostic studies. We show that conducting differential mobility-based separations prior to mass analysis allows the isolation of targeted analytes from electrosprayed mixtures preventing the indiscriminate introduction of matrix ions and premature trap saturation with analytically unrelated species. Coupling these two analytical techniques is shown to enhance the detection of a targeted drug metabolite from a biological matrix. In its capacity as a selective ion filter, the DMS can improve the analytical performance of analyzers such as quadrupole (3-D or linear) and ion cyclotron resonance (FT-ICR) ion traps that depend on ion accumulation. PMID:23797861

Performance evaluation of the zero-multipole summation method in modern molecular dynamics software.

PubMed

Sakuraba, Shun; Fukuda, Ikuo

2018-05-04

The zero-multiple summation method (ZMM) is a cutoff-based method for calculating electrostatic interactions in molecular dynamics simulations, utilizing an electrostatic neutralization principle as a physical basis. Since the accuracies of the ZMM have been revealed to be sufficient in previous studies, it is highly desirable to clarify its practical performance. In this paper, the performance of the ZMM is compared with that of the smooth particle mesh Ewald method (SPME), where the both methods are implemented in molecular dynamics software package GROMACS. Extensive performance comparisons against a highly optimized, parameter-tuned SPME implementation are performed for various-sized water systems and two protein-water systems. We analyze in detail the dependence of the performance on the potential parameters and the number of CPU cores. Even though the ZMM uses a larger cutoff distance than the SPME does, the performance of the ZMM is comparable to or better than that of the SPME. This is because the ZMM does not require a time-consuming electrostatic convolution and because the ZMM gains short neighbor-list distances due to the smooth damping feature of the pairwise potential function near the cutoff length. We found, in particular, that the ZMM with quadrupole or octupole cancellation and no damping factor is an excellent candidate for the fast calculation of electrostatic interactions. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Coarse-grained electrostatic interactions of coronene: Towards the crystalline phase

NASA Astrophysics Data System (ADS)

Heinemann, Thomas; Palczynski, Karol; Dzubiella, Joachim; Klapp, Sabine H. L.

2015-11-01

In this article, we present and compare two different, coarse-grained approaches to model electrostatic interactions of disc-shaped aromatic molecules, specifically coronene. Our study builds on our previous work [T. Heinemann et al., J. Chem. Phys. 141, 214110 (2014)], where we proposed, based on a systematic coarse-graining procedure starting from the atomistic level, an anisotropic effective (Gay-Berne-like) potential capable of describing van der Waals contributions to the interaction energy. To take into account electrostatics, we introduce, first, a linear quadrupole moment along the symmetry axis of the coronene disc. The second approach takes into account the fact that the partial charges within the molecules are distributed in a ring-like fashion. We then reparametrize the effective Gay-Berne-like potential such that it matches, at short distances, the ring-ring potential. To investigate the validity of these two approaches, we perform many-particle molecular dynamics simulations, focusing on the crystalline phase (karpatite) where electrostatic interaction effects are expected to be particularly relevant for the formation of tilted stacked columns. Specifically, we investigate various structural parameters as well as the melting transition. We find that the second approach yields consistent results with those from experiments despite the fact that the underlying potential decays with the wrong distance dependence at large molecule separations. Our strategy can be transferred to a broader class of molecules, such as benzene or hexabenzocoronene.

Coarse-grained electrostatic interactions of coronene: Towards the crystalline phase.

PubMed

Heinemann, Thomas; Palczynski, Karol; Dzubiella, Joachim; Klapp, Sabine H L

2015-11-07

In this article, we present and compare two different, coarse-grained approaches to model electrostatic interactions of disc-shaped aromatic molecules, specifically coronene. Our study builds on our previous work [T. Heinemann et al., J. Chem. Phys. 141, 214110 (2014)], where we proposed, based on a systematic coarse-graining procedure starting from the atomistic level, an anisotropic effective (Gay-Berne-like) potential capable of describing van der Waals contributions to the interaction energy. To take into account electrostatics, we introduce, first, a linear quadrupole moment along the symmetry axis of the coronene disc. The second approach takes into account the fact that the partial charges within the molecules are distributed in a ring-like fashion. We then reparametrize the effective Gay-Berne-like potential such that it matches, at short distances, the ring-ring potential. To investigate the validity of these two approaches, we perform many-particle molecular dynamics simulations, focusing on the crystalline phase (karpatite) where electrostatic interaction effects are expected to be particularly relevant for the formation of tilted stacked columns. Specifically, we investigate various structural parameters as well as the melting transition. We find that the second approach yields consistent results with those from experiments despite the fact that the underlying potential decays with the wrong distance dependence at large molecule separations. Our strategy can be transferred to a broader class of molecules, such as benzene or hexabenzocoronene.

Particle trapping in 3-D using a single fiber probe with an annular light distribution.

PubMed

Taylor, R; Hnatovsky, C

2003-10-20

A single optical fiber probe has been used to trap a solid 2 ìm diameter glass bead in 3-D in water. Optical confinement in 2-D was produced by the annular light distribution emerging from a selectively chemically etched, tapered, hollow tipped metalized fiber probe. Confinement of the bead in 3-D was achieved by balancing an electrostatic force of attraction towards the tip and the optical scattering force pushing the particle away from the tip.

Confocal shift interferometry of coherent emission from trapped dipolar excitons

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

Repp, J.; Nanosystems Initiative Munich; Center for NanoScience and Fakultät für Physik, Ludwig-Maximilians-Universität, Geschwister-Scholl-Platz 1, 80539 München

2014-12-15

We introduce a confocal shift-interferometer based on optical fibers. The presented spectroscopy allows measuring coherence maps of luminescent samples with a high spatial resolution even at cryogenic temperatures. We apply the spectroscopy onto electrostatically trapped, dipolar excitons in a semiconductor double quantum well. We find that the measured spatial coherence length of the excitonic emission coincides with the point spread function of the confocal setup. The results are consistent with a temporal coherence of the excitonic emission down to temperatures of 250 mK.

A dynamic magneto-optical trap for atom chips

NASA Astrophysics Data System (ADS)

Rushton, Jo; Roy, Ritayan; Bateman, James; Himsworth, Matt

2016-11-01

We describe a dynamic magneto-optical trap (MOT) suitable for the use with vacuum systems in which optical access is limited to a single window. This technique facilitates the long-standing desire of producing integrated atom chips, many of which are likely to have severely restricted optical access compared with conventional vacuum chambers. This ‘switching-MOT’ relies on the synchronized pulsing of optical and magnetic fields at audio frequencies. The trap’s beam geometry is obtained using a planar mirror surface, and does not require a patterned substrate or bulky optics inside the vacuum chamber. Central to the design is a novel magnetic field geometry that requires no external quadrupole or bias coils which leads toward a very compact system. We have implemented the trap for 85Rb and shown that it is capable of capturing 2 million atoms and directly cooling below the Doppler temperature.

Tunable aqueous virtual micropore.

PubMed

Park, Jae Hyun; Guan, Weihua; Reed, Mark A; Krstić, Predrag S

2012-03-26

A charged microparticle can be trapped in an aqueous environment by forming a narrow virtual pore--a cylindrical space region in which the particle motion in the radial direction is limited by forces emerging from dynamical interactions of the particle charge and dipole moment with an external radiofrequency quadrupole electric field. If the particle satisfies the trap stability criteria, its mean motion is reduced exponentially with time due to the viscosity of the aqueous environment; thereafter the long-time motion of particle is subject only to random, Brownian fluctuations, whose magnitude, influenced by the electrophoretic and dielectrophoretic effects and added to the particle size, determines the radius of the virtual pore, which is demonstrated by comparison of computer simulations and experiment. The measured size of the virtual nanopore could be utilized to estimate the charge of a trapped micro-object. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Design of An Improved Miniature Ion Neutral Mass Spectrometer for NASA Applications

NASA Technical Reports Server (NTRS)

Swaminathan, Viji K.; Alig, Roger C.

1997-01-01

The ion optics of NASA's Ion Neutral Mass Spectrometer (INMS) sensor was simulated with three dimensional models of the open source, the quadrupole deflector, the exit lens system and the quadrupole mass analyzer to design more compact models with lower weight. Comparison of calculated transmission with experimental results shows good agreement. Transmission analyses with varying geometrical parameters and voltages throw light on possible ways of reducing the size of the sensor. Trajectories of ions of mass 1-99 amu were simulated to analyze and optimize transmission. Analysis of open source transmission with varying angle of attack shows that the angular acceptance can be considerably increased by programming the voltages on the ion trap/ collimator. Analysis of transmission sensitivity to voltages and misalignments of the quadrupole deflector rods indicate that increased transmission is possible with a geometrically asymmetrical deflector and a deflector can be designed with much lower sensitivities of transmission. Bringing the disks closer together can decrease the size of the quadrupole deflector and also increase transmission. The exit lens system can be redesigned to be smaller by eliminating at least one electrode entirely without loss of transmission. Ceramic materials were investigated to find suitable candidates for use in the construction of lighter weight mass spectrometer. A high-sensitivity, high-resolution portable gas chromatograph mass spectrometer with a mass range of 2-700 amu has been built and will be commercialized in Phase 3.

Determination of sulfonamide antibiotics and metabolites in liver, muscle and kidney samples by pressurized liquid extraction or ultrasound-assisted extraction followed by liquid chromatography-quadrupole linear ion trap-tandem mass spectrometry (HPLC-QqLIT-MS/MS).

PubMed

Hoff, Rodrigo Barcellos; Pizzolato, Tânia Mara; Peralba, Maria do Carmo Ruaro; Díaz-Cruz, M Silvia; Barceló, Damià

2015-03-01

Sulfonamides are widely used in human and veterinary medicine. The presence of sulfonamides residues in food is an issue of great concern. Throughout the present work, a method for the targeted analysis of 16 sulfonamides and metabolites residue in liver of several species has been developed and validated. Extraction and clean-up has been statistically optimized using central composite design experiments. Two extraction methods have been developed, validated and compared: i) pressurized liquid extraction, in which samples were defatted with hexane and subsequently extracted with acetonitrile and ii) ultrasound-assisted extraction with acetonitrile and further liquid-liquid extraction with hexane. Extracts have been analyzed by liquid chromatography-quadrupole linear ion trap-tandem mass spectrometry. Validation procedure has been based on the Commission Decision 2002/657/EC and included the assessment of parameters such as decision limit (CCα), detection capability (CCβ), sensitivity, selectivity, accuracy and precision. Method׳s performance has been satisfactory, with CCα values within the range of 111.2-161.4 µg kg(-1), limits of detection of 10 µg kg(-1) and accuracy values around 100% for all compounds. Copyright © 2014 Elsevier B.V. All rights reserved.

Application of High-Performance Liquid Chromatography Coupled with Linear Ion Trap Quadrupole Orbitrap Mass Spectrometry for Qualitative and Quantitative Assessment of Shejin-Liyan Granule Supplements.

PubMed

Gu, Jifeng; Wu, Weijun; Huang, Mengwei; Long, Fen; Liu, Xinhua; Zhu, Yizhun

2018-04-11

A method for high-performance liquid chromatography coupled with linear ion trap quadrupole Orbitrap high-resolution mass spectrometry (HPLC-LTQ-Orbitrap MS) was developed and validated for the qualitative and quantitative assessment of Shejin-liyan Granule. According to the fragmentation mechanism and high-resolution MS data, 54 compounds, including fourteen isoflavones, eleven ligands, eight flavonoids, six physalins, six organic acids, four triterpenoid saponins, two xanthones, two alkaloids, and one licorice coumarin, were identified or tentatively characterized. In addition, ten of the representative compounds (matrine, galuteolin, tectoridin, iridin, arctiin, tectorigenin, glycyrrhizic acid, irigenin, arctigenin, and irisflorentin) were quantified using the validated HPLC-LTQ-Orbitrap MS method. The method validation showed a good linearity with coefficients of determination (r²) above 0.9914 for all analytes. The accuracy of the intra- and inter-day variation of the investigated compounds was 95.0-105.0%, and the precision values were less than 4.89%. The mean recoveries and reproducibilities of each analyte were 95.1-104.8%, with relative standard deviations below 4.91%. The method successfully quantified the ten compounds in Shejin-liyan Granule, and the results show that the method is accurate, sensitive, and reliable.

Trace analysis of pesticides in paddy field water by direct injection using liquid chromatography-quadrupole-linear ion trap-mass spectrometry.

PubMed

Pareja, Lucía; Martínez-Bueno, M J; Cesio, Verónica; Heinzen, Horacio; Fernández-Alba, A R

2011-07-29

A multiresidue method was developed for the quantification and confirmation of 70 pesticides in paddy field water. After its filtration, water was injected directly in a liquid chromatograph coupled to a hybrid triple quadrupole-linear ion trap-mass spectrometer (QqLIT). The list of target analytes included organophosphates, phenylureas, sulfonylureas, carbamates, conazoles, imidazolinones and others compounds widely used in different countries where rice is cropped. Detection and quantification limits achieved were in the range from 0.4 to 80 ng L(-1) and from 2 to 150 ng L(-1), respectively. Correlation coefficients for the calibration curves in the range 0.1-50 μg L(-1) were higher than 0.99 except for diazinon (0.1-25 μg L(-1)). Only 9 pesticides presented more than 20% of signal suppression/enhancement, no matrix effect was observed in the studied conditions for the rest of the target pesticides. The method developed was used to investigate the occurrence of pesticides in 59 water samples collected in paddy fields located in Spain and Uruguay. The study shows the presence of bensulfuron methyl, tricyclazole, carbendazim, imidacloprid, tebuconazole and quinclorac in a concentration range from 0.08 to 7.20 μg L(-1). Copyright © 2011 Elsevier B.V. All rights reserved.

A new hybrid electrospray Fourier transform mass spectrometer: design and performance characteristics.

PubMed

O'connor, Peter B; Pittman, Jason L; Thomson, Bruce A; Budnik, Bogdan A; Cournoyer, Jason C; Jebanathirajah, Judith; Lin, Cheng; Moyer, Susanne; Zhao, Cheng

2006-01-01

A new hybrid electrospray quadrupole Fourier transform mass spectrometry (FTMS) instrument design is shown and characterized. This instrument involves coupling an electrospray source and mass-resolving quadrupole, ion accumulation, and collision cell linear ion trap system developed by MDS Sciex with a home-built ion guide and ion cyclotron resonance (ICR) cell. The iterative progression of this design is shown. The final design involves a set of hexapole ion guides to transfer the ions from the accumulation/collision trap through the magnetic field gradient and into the cell. These hexapole ion guides are separated by a thin gate valve and two conduction limits to maintain the required <10(-9) mbar vacuum for FTICR. Low-attomole detection limits for a pure peptide are shown, 220 000 resolving power in broadband mode and 820 000 resolving power in narrow-band mode are demonstrated, and mass accuracy in the <2 ppm range is routinely available provided the signal is abundant, cleanly resolved, and internally calibrated. This instrument design provides high experimental flexibility, allowing Q2 CAD, SORI-CAD, IRMPD, and ECD experiments with selected ion accumulation as well as experiments such as nozzle skimmer dissociation. Initial top-down mass spectrometry experiments on a protein is shown using ECD.

The Beam Dynamics and Beam Related Uncertainties in Fermilab Muon $g-2$ Experiment

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

Wu, Wanwei

The anomaly of the muon magnetic moment,more » $$a_{\\mu}\\equiv (g-2)/2$$, has played an important role in constraining physics beyond the Standard Model for many years. Currently, the Standard Model prediction for $$a_{\\mu}$$ is accurate to 0.42 parts per million (ppm). The most recent muon $g-2$ experiment was done at Brookhaven National Laboratory (BNL) and determined $$a_{\\mu}$$ to 0.54 ppm, with a central value that differs from the Standard Model prediction by 3.3-3.6 standard deviations and provides a strong hint of new physics. The Fermilab Muon $g-2$ Experiment has a goal to measure $$a_{\\mu}$$ to unprecedented precision: 0.14 ppm, which could provide an unambiguous answer to the question whether there are new particles and forces that exist in nature. To achieve this goal, several items have been identified to lower the systematic uncertainties. In this work, we focus on the beam dynamics and beam associated uncertainties, which are important and must be better understood. We will discuss the electrostatic quadrupole system, particularly the hardware-related quad plate alignment and the quad extension and readout system. We will review the beam dynamics in the muon storage ring, present discussions on the beam related systematic errors, simulate the 3D electric fields of the electrostatic quadrupoles and examine the beam resonances. We will use a fast rotation analysis to study the muon radial momentum distribution, which provides the key input for evaluating the electric field correction to the measured $$a_{\\mu}$$.« less

Effect of particles attachment to multi-sized dust grains present in electrostatic sheaths of discharge plasmas

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

Zaham, B.; Faculté des Sciences et des Sciences Appliquées, Université de Bouira Rue Drissi Yahia 10000 Bouira; Tahraoui, A., E-mail: alatif-tahraoui@yahoo.fr

The loss of electrons and ions due to their attachment to a Gauss-distributed sizes of dust grains present in electrostatic sheaths of discharge plasmas is investigated. A uni-dimensional, unmagnetized, and stationary multi-fluid model is proposed. Forces acting on the dust grain along with its charge are self-consistently calculated, within the limits of the orbit motion limited model. The dynamic analysis of dust grains shows that the contribution of the neutral drag force in the net force acting on the dust grain is negligible, whereas the contribution of the gravity force is found considerable only for micrometer particles. The dust grainsmore » trapping is only possible when the electrostatic force is balanced by the ion drag and the gravity forces. This trapping occurs for a limited radius interval of micrometer dust grains, which is around the most probable dust grain radius. The effect of electron temperature and ion density at the sheath edge is also discussed. It is shown that the attachment of particles reduces considerably the sheath thickness and induces dust grain deceleration. The increase of the lower limit as well as the upper limit of the dust radius reduces also the sheath thickness.« less

Quantum Hall signatures of dipolar Mahan excitons

NASA Astrophysics Data System (ADS)

Schinner, G. J.; Repp, J.; Kowalik-Seidl, K.; Schubert, E.; Stallhofer, M. P.; Rai, A. K.; Reuter, D.; Wieck, A. D.; Govorov, A. O.; Holleitner, A. W.; Kotthaus, J. P.

2013-01-01

We explore the photoluminescence of spatially indirect, dipolar Mahan excitons in a gated double quantum well diode containing a mesoscopic electrostatic trap for neutral dipolar excitons at low temperatures down to 250 mK and in quantizing magnetic fields. Mahan excitons in the surrounding of the trap, consisting of individual holes interacting with a degenerate two-dimensional electron system confined in one of the quantum wells, exhibit strong quantum Hall signatures at integer filling factors and related anomalies around filling factor ν=(2)/(3),(3)/(5), and (1)/(2), reflecting the formation of composite fermions. Interactions across the trap perimeter are found to influence the energy of the confined neutral dipolar excitons by the presence of the quantum Hall effects in the two-dimensional electron system surrounding the trap.

Lab-on-a-chip Single Particle Dielectrophoretic Traps

NASA Astrophysics Data System (ADS)

Wang, Weina; Shao, Hua; Lear, Kevin

2007-03-01

Cell-patterning and cell-manipulation in micro-environments are fundamental to biological and biomedical applications, for example, spectroscopic cytology based cancer detection. Dielectrophoresis (DEP) traps with transparent centers for stabilized cell and particle optofluidic intracavity spectroscopy (OFIS) were fabricated by patterning 10 μm wide, planar gold electrodes on glass substrates. The capturing strength of DEP traps was quantified based on the minimum AC voltage required to capture and hold varying diameter polystyrene or was it some other material, e.g. silica or PMMA microspheres in water as a function of frequency required under a constant flowrate of 20 μm/s. The maximum required trapping voltage in the negative DEP regime of f = 1 kHz to 40 MHz was 5.0 VAC. The use of AC fields effectively suppressed hydrolysis. New geometries of DEP traps are being explored on the basis of 3-D electrostatic field simulations.

Magneto-optical trapping of potassium isotopes

NASA Astrophysics Data System (ADS)

Williamson, Robert Sylvester, III

1997-12-01

We have demonstrated a magneto-optical trap (scMOT) suitable for capturing radioactive potassium produced on- line with the UW-Madison 12MeV tandem electrostatic accelerator. To do this, we made and characterized the first scMOT for potassium, measured the potassium ultracold collision rate, and developed a numerical trap- loading rate model that makes useful quantitative predictions. We have created a cold beam of collimated potassium atoms using a pyramidal magneto-optical funnel and used it to load a long-lifetime scMOT operating at ultrahigh vacuum. We have also built a target that produces a beam of radioactive 37K and 38K and coupled it to the magneto-optical funnel and trap. Once a trap of radioactive 38K has been demonstrated, the primary goal of this project is to measure the beta-asymmetry parameter in the decay of 38K, performing a sensitive test of the Standard Model of weak interactions.

Collisionless microtearing modes in hot tokamaks: Effect of trapped electrons

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

Swamy, Aditya K.; Ganesh, R., E-mail: ganesh@ipr.res.in; Brunner, S.

2015-07-15

Collisionless microtearing modes have recently been found linearly unstable in sharp temperature gradient regions of large aspect ratio tokamaks. The magnetic drift resonance of passing electrons has been found to be sufficient to destabilise these modes above a threshold plasma β. A global gyrokinetic study, including both passing electrons as well as trapped electrons, shows that the non-adiabatic contribution of the trapped electrons provides a resonant destabilization, especially at large toroidal mode numbers, for a given aspect ratio. The global 2D mode structures show important changes to the destabilising electrostatic potential. The β threshold for the onset of the instabilitymore » is found to be generally downshifted by the inclusion of trapped electrons. A scan in the aspect ratio of the tokamak configuration, from medium to large but finite values, clearly indicates a significant destabilizing contribution from trapped electrons at small aspect ratio, with a diminishing role at larger aspect ratios.« less

Determination of Collision Cross Sections Using a Fourier Transform Electrostatic Linear Ion Trap Mass Spectrometer

NASA Astrophysics Data System (ADS)

Dziekonski, Eric T.; Johnson, Joshua T.; Lee, Kenneth W.; McLuckey, Scott A.

2018-02-01

Collision cross sections (CCSs) were determined from the frequency-domain linewidths in a Fourier transform electrostatic linear ion trap. With use of an ultrahigh-vacuum precision leak valve and nitrogen gas, transients were recorded as the background pressure in the mass analyzer chamber was varied between 4× 10-8 and 7 × 10-7 Torr. The energetic hard-sphere ion-neutral collision model, described by Xu and coworkers, was used to relate the recorded image charge to the CCS of the molecule. In lieu of our monoisotopically isolating the mass of interest, the known relative isotopic abundances were programmed into the Lorentzian fitting algorithm such that the linewidth was extracted from a sum of Lorentzians. Although this works only if the isotopic distribution is known a priori, it prevents ion loss, preserves the high signal-to-noise ratio, and minimizes the experimental error on our homebuilt instrument. Six tetraalkylammonium cations were used to correlate the CCS measured in the electrostatic linear ion trap with that measured by drift-tube ion mobility spectrometry, for which there was an excellent correlation ( R 2 ≈ 0.9999). Although the absolute CCSs derived with our method differ from those reported, the extracted linear correlation can be used to correct the raw CCS. With use of [angiotensin II]2+ and reserpine, the corrected CCSs (334.9 ± 2.1 and 250.1 ± 0.5, respectively) were in good agreement with the reported ion mobility spectrometry CCSs (335 and 254.3, respectively). With sufficient signal-to-noise ratio, the CCSs determined are reproducible to within a fraction of a percent, comparable to the uncertainties reported on dedicated ion mobility instruments.

Impact of Shock Front Rippling and Self-reformation on the Electron Dynamics at Low-Mach-number Shocks

NASA Astrophysics Data System (ADS)

Yang, Zhongwei; Lu, Quanming; Liu, Ying D.; Wang, Rui

2018-04-01

Electron dynamics at low-Mach-number collisionless shocks are investigated by using two-dimensional electromagnetic particle-in-cell simulations with various shock normal angles. We found: (1) The reflected ions and incident electrons at the shock front provide an effective mechanism for the quasi-electrostatic wave generation due to the charge-separation. A fraction of incident electrons can be effectively trapped and accelerated at the leading edge of the shock foot. (2) At quasi-perpendicular shocks, the electron trapping and reflection is nonuniform due to the shock rippling along the shock surface and is more likely to take place at some locations accompanied by intense reflected ion-beams. The electron trapping process has a periodical evolution over time due to the shock front self-reformation, which is controlled by ion dynamics. Thus, this is a cross-scale coupling phenomenon. (3) At quasi-parallel shocks, reflected ions can travel far back upstream. Consequently, quasi-electrostatic waves can be excited in the shock transition and the foreshock region. The electron trajectory analysis shows these waves can trap electrons at the foot region and reflect a fraction of them far back upstream. Simulation runs in this paper indicate that the micro-turbulence at the shock foot can provide a possible scenario for producing the reflected electron beam, which is a basic condition for the type II radio burst emission at low-Mach-number interplanetary shocks driven by Coronal Mass Ejections (CMEs).

Measuring the size and charge of single nanoscale objects in solution using an electrostatic fluidic trap.

PubMed

Mojarad, Nassiredin; Krishnan, Madhavi

2012-06-24

Measuring the size and charge of objects suspended in solution, such as dispersions of colloids or macromolecules, is a significant challenge. Measurements based on light scattering are inherently biased to larger entities, such as aggregates in the sample, because the intensity of light scattered by a small object scales as the sixth power of its size. Techniques that rely on the collective migration of species in response to external fields (electric or hydrodynamic, for example) are beset with difficulties including low accuracy and dispersion-limited resolution. Here, we show that the size and charge of single nanoscale objects can be directly measured with high throughput by analysing their thermal motion in an array of electrostatic traps. The approach, which is analogous to Millikan's oil drop experiment, could in future be used to detect molecular binding events with high sensitivity or carry out dynamic single-charge resolved measurements at the solid/liquid interface.

Dendritic polyelectrolytes as seen by the Poisson-Boltzmann-Flory theory.

PubMed

Kłos, J S; Milewski, J

2018-06-20

G3-G9 dendritic polyelectrolytes accompanied by counterions are investigated using the Poisson-Boltzmann-Flory theory. Within this approach we solve numerically the Poisson-Boltzmann equation for the mean electrostatic potential and minimize the Poisson-Boltzmann-Flory free energy with respect to the size of the molecules. Such a scheme enables us to inspect the conformational and electrostatic properties of the dendrimers in equilibrium based on their response to varying the dendrimer generation. The calculations indicate that the G3-G6 dendrimers exist in the polyelectrolyte regime where absorption of counterions into the volume of the molecules is minor. Trapping of ions in the interior region becomes significant for the G7-G9 dendrimers and signals the emergence of the osmotic regime. We find that the behavior of the dendritic polyelectrolytes corresponds with the degree of ion trapping. In particular, in both regimes the polyelectrolytes are swollen as compared to their neutral counterparts and the expansion factor is maximal at the crossover generation G7.

Electrostatic coating enhances bioavailability of insecticides and breaks pyrethroid resistance in mosquitoes

PubMed Central

Andriessen, Rob; Snetselaar, Janneke; Suer, Remco A.; Osinga, Anne J.; Deschietere, Johan; Lyimo, Issa N.; Mnyone, Ladslaus L.; Brooke, Basil D.; Ranson, Hilary; Knols, Bart G. J.; Farenhorst, Marit

2015-01-01

Insecticide resistance poses a significant and increasing threat to the control of malaria and other mosquito-borne diseases. We present a novel method of insecticide application based on netting treated with an electrostatic coating that binds insecticidal particles through polarity. Electrostatic netting can hold small amounts of insecticides effectively and results in enhanced bioavailability upon contact by the insect. Six pyrethroid-resistant Anopheles mosquito strains from across Africa were exposed to similar concentrations of deltamethrin on electrostatic netting or a standard long-lasting deltamethrin-coated bednet (PermaNet 2.0). Standard WHO exposure bioassays showed that electrostatic netting induced significantly higher mortality rates than the PermaNet, thereby effectively breaking mosquito resistance. Electrostatic netting also induced high mortality in resistant mosquito strains when a 15-fold lower dose of deltamethrin was applied and when the exposure time was reduced to only 5 s. Because different types of particles adhere to electrostatic netting, it is also possible to apply nonpyrethroid insecticides. Three insecticide classes were effective against strains of Aedes and Culex mosquitoes, demonstrating that electrostatic netting can be used to deploy a wide range of active insecticides against all major groups of disease-transmitting mosquitoes. Promising applications include the use of electrostatic coating on walls or eave curtains and in trapping/contamination devices. We conclude that application of electrostatically adhered particles boosts the efficacy of WHO-recommended insecticides even against resistant mosquitoes. This innovative technique has potential to support the use of unconventional insecticide classes or combinations thereof, potentially offering a significant step forward in managing insecticide resistance in vector-control operations. PMID:26324912

Targeted Proteomic Quantification on Quadrupole-Orbitrap Mass Spectrometer*

PubMed Central

Gallien, Sebastien; Duriez, Elodie; Crone, Catharina; Kellmann, Markus; Moehring, Thomas; Domon, Bruno

2012-01-01

There is an immediate need for improved methods to systematically and precisely quantify large sets of peptides in complex biological samples. To date protein quantification in biological samples has been routinely performed on triple quadrupole instruments operated in selected reaction monitoring mode (SRM), and two major challenges remain. Firstly, the number of peptides to be included in one survey experiment needs to be increased to routinely reach several hundreds, and secondly, the degree of selectivity should be improved so as to reliably discriminate the targeted analytes from background interferences. High resolution and accurate mass (HR/AM) analysis on the recently developed Q-Exactive mass spectrometer can potentially address these issues. This instrument presents a unique configuration: it is constituted of an orbitrap mass analyzer equipped with a quadrupole mass filter as the front-end for precursor ion mass selection. This configuration enables new quantitative methods based on HR/AM measurements, including targeted analysis in MS mode (single ion monitoring) and in MS/MS mode (parallel reaction monitoring). The ability of the quadrupole to select a restricted m/z range allows one to overcome the dynamic range limitations associated with trapping devices, and the MS/MS mode provides an additional stage of selectivity. When applied to targeted protein quantification in urine samples and benchmarked with the reference SRM technique, the quadrupole-orbitrap instrument exhibits similar or better performance in terms of selectivity, dynamic range, and sensitivity. This high performance is further enhanced by leveraging the multiplexing capability of the instrument to design novel acquisition methods and apply them to large targeted proteomic studies for the first time, as demonstrated on 770 tryptic yeast peptides analyzed in one 60-min experiment. The increased quality of quadrupole-orbitrap data has the potential to improve existing protein quantification methods in complex samples and address the pressing demand of systems biology or biomarker evaluation studies. PMID:22962056

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

PubMed

Greenwood, J B; Kelly, O; Calvert, C R; Duffy, M J; King, R B; Belshaw, L; Graham, L; Alexander, J D; Williams, I D; Bryan, W A; Turcu, I C E; Cacho, C M; Springate, E

2011-04-01

In this paper an algorithm for extracting spectral information from signals containing a series of narrow periodic impulses is presented. Such signals can typically be acquired by pickup detectors from the image-charge of ion bunches oscillating in a linear electrostatic ion trap, where frequency analysis provides a scheme for high-resolution mass spectrometry. To provide an improved technique for such frequency analysis, we introduce the CHIMERA algorithm (Comb-sampling for High-resolution IMpulse-train frequency ExtRAaction). This algorithm utilizes a comb function to generate frequency coefficients, rather than using sinusoids via a Fourier transform, since the comb provides a superior match to the data. This new technique is developed theoretically, applied to synthetic data, and then used to perform high resolution mass spectrometry on real data from an ion trap. If the ions are generated at a localized point in time and space, and the data is simultaneously acquired with multiple pickup rings, the method is shown to be a significant improvement on Fourier analysis. The mass spectra generated typically have an order of magnitude higher resolution compared with that obtained from fundamental Fourier frequencies, and are absent of large contributions from harmonic frequency components. © 2011 American Institute of Physics

Usage of the Upgraded Vassilissa Separator for Synthesis of Super-Heavy Elements

NASA Astrophysics Data System (ADS)

Yeremin, A. V.; Malyshev, O. N.; Popeko, A. G.; Sagaidak, R. N.; Chepigin, V. I.; Kabachenko, A. P.; Belozerov, A. V.; Chelnokov, M. L.; Gorshkov, V. A.; Svirikhin, A. I.; Korotkov, S. P.; Rohach, J.; Brida, I.; Berek, G.

2002-12-01

Electrostatic separator VASSILISSA is used for exploring complete fussion nuclear reactions. The magnetic analyzer, based on D37 dipole magnet, was installed after the second triplet of quadrupole lenses of the separator for the mass identification of evaporation residues. Mass identification is an powerful tool for identification of recoil atoms of super-heavy elements. The new detection system consisting of the time-of-fiight system and 32-strips position-sensitive detector array was installed in the focal plane of the separator. The mass resolution of the separator after upgrade was found to be about 2.5 %.

Development of the 2-MV Injector for HIF

NASA Astrophysics Data System (ADS)

Bieniosek, F. M.; Kwan, J. W.; Henestroza, E.; Kim, C.

2001-05-01

The 2-MV Injector consists of a 17-cm-diameter surface ionization source, an extraction diode, and an electrostatic quadrupole (ESQ) accelerator, with maximum current of 0.8 A of potassium beam at 2 MeV. Previous performance of the Injector produced a beam with adequate current and emittance but with a hollow profile at the end of the ESQ section. We have examined the profile of the beam as it leaves the diode. The measured nonuniform beam density distribution qualitatively agrees with EGUN simulation. Implications for emittance growth in the post acceleration and transport phase will be investigated.

Fast production of Bose-Einstein condensates of metastable helium

NASA Astrophysics Data System (ADS)

Bouton, Q.; Chang, R.; Hoendervanger, A. L.; Nogrette, F.; Aspect, A.; Westbrook, C. I.; Clément, D.

2015-06-01

We report on the Bose-Einstein condensation of metastable 4He atoms using a hybrid approach, consisting of a magnetic quadrupole and an optical dipole trap. In our setup we cross the phase transition with 2 ×106 atoms, and we obtain pure condensates of 5 ×105 atoms in the optical trap. This approach to cooling 4He provides enhanced cycle stability, large optical access to the atoms and results in the production of a condensate every 6 s—a factor 2 faster than the state of the art. This speed-up will significantly reduce the data acquisition time needed for the measurement of many particle correlations, made possible by the ability of metastable helium atoms to be detected individually.

Electron impact action spectroscopy of mass/charge selected macromolecular ions: Inner-shell excitation of ubiquitin protein

NASA Astrophysics Data System (ADS)

Ranković, Miloš Lj.; Giuliani, Alexandre; Milosavljević, Aleksandar R.

2016-02-01

We have performed inner-shell electron impact action spectroscopy of mass and charge selected macromolecular ions. For this purpose, we have coupled a focusing electron gun with a linear quadrupole ion trap mass spectrometer. This experiment represents a proof of principle that an energy-tunable electron beam can be used in combination with radio frequency traps as an activation method in tandem mass spectrometry (MS2) and allows performing action spectroscopy. Electron impact MS2 spectra of multiply protonated ubiquitin protein ion have been recorded at incident electron energies around the carbon 1 s excitation. Both MS2 and single ionization energy dependence spectra are compared with literature data obtained using the soft X-ray activation conditions.

Sideband cooling of small ion Coulomb crystals in a Penning trap

NASA Astrophysics Data System (ADS)

Stutter, G.; Hrmo, P.; Jarlaud, V.; Joshi, M. K.; Goodwin, J. F.; Thompson, R. C.

2018-03-01

We have recently demonstrated the laser cooling of a single ? ion to the motional ground state in a Penning trap using the resolved-sideband cooling technique on the electric quadrupole transition S? D?. Here we report on the extension of this technique to small ion Coulomb crystals made of two or three ? ions. Efficient cooling of the axial motion is achieved outside the Lamb-Dicke regime on a two-ion string along the magnetic field axis as well as on two- and three-ion planar crystals. Complex sideband cooling sequences are required in order to cool both axial degrees of freedom simultaneously. We measure a mean excitation after cooling of ? for the centre of mass (COM) mode and ? for the breathing mode of the two-ion string with corresponding heating rates of 11(2) ? and ? at a trap frequency of 162 kHz. The occupation of the ground state of the axial modes (?) is above 75% for the two-ion planar crystal and the associated heating rates 0.8(5) ? at a trap frequency of 355 kHz.

Trapping effect of metal nanoparticle mono- and multilayer in the organic field-effect transistor

NASA Astrophysics Data System (ADS)

Lee, Keanchuan; Weis, Martin; Lin, Jack; Taguchi, Dai; Majková, Eva; Manaka, Takaaki; Iwamoto, Mitsumasa

2011-03-01

The effect of silver nanoparticles self-assembled monolayer (Ag NPs SAM) on charge transport in pentacene organic field-effect transistors (OFET) was investigated by both steady-state and transient-state methods, which are current-voltage measurements in steady-state and time-resolved microscopic (TRM) second harmonic generation (SHG) in transient-state, respectively. The analysis of electronic properties revealed that OFET with SAM exhibited significant charge trapping effect due to the space-charge field formed by immobile charges. Lower transient-state mobility was verified by the direct probing of carrier motion by TRM-SHG technique. It was shown that the trapping effect rises together with increase of SAM layers suggesting the presence of traps in the bulk of NP films. The model based on the electrostatic charge barrier is suggested to explain the phenomenon.

Trapping saturation of the bump-on-tail instability and electrostatic harmonic excitation in earth's foreshock

NASA Technical Reports Server (NTRS)

Klimas, Alexander J.

1990-01-01

The Vlasov simulation is used to examine the trapping saturation of the bump-on-tail instability both with and without mode-mode coupling and subsequent harmonic excitation. It is found that adding the pumped harmonic modes leads to a significant difference in the behavior of the phase-space distribution function near the unstable bump at the saturation time of the instability. The pumped modes permit rapid plateau formation on the space-averaged velocity distribution, in effect preventing the onset of the quasi-linear velocity-diffusion saturation mechanism.

Sub-diffusion and trapped dynamics of neutral and charged probes in DNA-protein coacervates

NASA Astrophysics Data System (ADS)

Arfin, Najmul; Yadav, Avinash Chand; Bohidar, H. B.

2013-11-01

The physical mechanism leading to the formation of large intermolecular DNA-protein complexes has been studied. Our study aims to explain the occurrence of fast coacervation dynamics at the charge neutralization point, followed by the appearance of smaller complexes and slower coacervation dynamics as the complex experiences overcharging. Furthermore, the electrostatic potential and probe mobility was investigated to mimic the transport of DNA / DNA-protein complex in a DNA-protein complex coacervate medium [N. Arfin and H. B. Bohidar, J. Phys. Chem. B 116, 13192 (2012)] by assigning neutral, negative, or positive charge to the probe particle. The mobility of the neutral probe was maximal at low matrix concentrations and showed random walk behavior, while its mobility ceased at the jamming concentration of c = 0.6, showing sub-diffusion and trapped dynamics. The positively charged probe showed sub-diffusive random walk followed by trapped dynamics, while the negatively charged probe showed trapping with occasional hopping dynamics at much lower concentrations. Sub-diffusion of the probe was observed in all cases under consideration, where the electrostatic interaction was used exclusively as the dominant force involved in the dynamics. For neutral and positive probes, the mean square displacement ⟨R2⟩ exhibits a scaling with time as ⟨R2⟩ ˜ tα, distinguishing random walk and trapped dynamics at α = 0.64 ± 0.04 at c = 0.12 and c = 0.6, respectively. In addition, the same scaling factors with the exponent β = 0.64 ± 0.04 can be used to distinguish random walk and trapped dynamics for the neutral and positive probes using the relation between the number of distinct sites visited by the probe, S(t), which follows the scaling, S(t) ˜ tβ/ln (t). Our results established the occurrence of a hierarchy of diffusion dynamics experienced by a probe in a dense medium that is either charged or neutral.

Toward a Micro Gas Chromatograph/Mass Spectrometer (GC/MS) System

NASA Technical Reports Server (NTRS)

Wiberg, D. V.; Eyre, F. B.; Orient, O.; Chutjian, A.; Garkarian, V.

2001-01-01

Miniature mass filters (e.g., quadrupoles, ion traps) have been the subject of several miniaturization efforts. A project is currently in progress at JPL to develop a miniaturized Gas Chromatograph/Mass Spectrometer (GC/MS) system, incorporating and/or developing miniature system components including turbomolecular pumps, scroll type roughing pump, quadrupole mass filter, gas chromatograph, precision power supply and other electronic components. The preponderance of the system elements will be fabricated using microelectromechanical systems (MEMS) techniques. The quadrupole mass filter will be fabricated using an X-ray lithography technique producing high precision, 5x5 arrays of quadrupoles with pole lengths of about 3 mm and a total volume of 27 cubic mm. The miniature scroll pump will also be fabricated using X-ray lithography producing arrays of scroll stages about 3 mm in diameter. The target detection range for the mass spectrometer is 1 to 300 atomic mass units (AMU) with are solution of 0.5 AMU. This resolution will allow isotopic characterization for geochronology, atmospheric studies and other science efforts dependant on the understanding of isotope ratios of chemical species. This paper will discuss the design approach, the current state-of-the art regarding the system components and the progress toward development of key elements. The full system is anticipated to be small enough in mass, volume and power consumption to allow in situ chemical analysis on highly miniaturized science craft for geochronology, atmospheric characterization and detection of life experiments applicable to outer planet roadmap missions.

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

Belov, Mikhail E.; Anderson, Gordon A.; Smith, Richard D.

Data-dependent selective external ion ejection with improved resolution is demonstrated with a 3.5 tesla FTICR instrument employing DREAMS (Dynamic Range Enhancement Applied to Mass Spectrometry) technology. To correct for the fringing rf-field aberrations each rod of the selection quadrupole has been segmented into three sections, so that ion excitation and ejection was performed by applying auxiliary rf-only waveforms in the region of the middle segments. Two different modes of external ion trapping and ejection were studied with the mixtures of model peptides and a tryptic digest of bovine serum albumin. A mass resolution of about 100 has been attained formore » rf-only dipolar ejection in a quadrupole operating at a Mathieu parameter q of{approx} 0.45. LC-ESI-DREAMS-FTICR analysis of a 0.1 mg/mL solution of bovine serum albumin digest resulted in detection of 82 unique tryptic peptides with mass measurement errors lower than 5 ppm, providing 100% sequence coverage of the protein.« less

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

Belov, Mikhail E.; Anderson, Gordon A.; Smith, Richard D.

Data-dependent selective external ion ejection with improved resolution is demonstrated with a 3.5 tesla FTICR instrument employing DREAMS (Dynamic Range Enhancement Applied to Mass Spectrometry) technology. To correct for the fringing rf-field aberrations each rod of the selection quadrupole has been segmented into three sections, so that ion excitation and ejection was performed by applying auxiliary rf-only waveforms in the region of the middle segments. Two different modes of external ion trapping and ejection were studied with the mixtures of model peptides and a tryptic digest of bovine serum albumin. A mass resolution of about 100 had been attained formore » rf-only dipolar ejection in a quadrupole operating at a Mathieu parameter q of ~0.45. LC-ESI-DREAMS-FTICR analysis of a 0.1 mg/mL solution of bovine serum albumin digest resulted in detection of 82 unique tryptic peptides with mass measurement errors lower than 5 ppm, providing 100 % sequence coverage of the protein.« less

Atomistic modeling trap-assisted tunneling in hole tunnel field effect transistors

NASA Astrophysics Data System (ADS)

Long, Pengyu; Huang, Jun Z.; Povolotskyi, Michael; Sarangapani, Prasad; Valencia-Zapata, Gustavo A.; Kubis, Tillmann; Rodwell, Mark J. W.; Klimeck, Gerhard

2018-05-01

Tunnel Field Effect Transistors (FETs) have the potential to achieve steep Subthreshold Swing (S.S.) below 60 mV/dec, but their S.S. could be limited by trap-assisted tunneling (TAT) due to interface traps. In this paper, the effect of trap energy and location on OFF-current (IOFF) of tunnel FETs is evaluated systematically using an atomistic trap level representation in a full quantum transport simulation. Trap energy levels close to band edges cause the highest leakage. Wave function penetration into the surrounding oxide increases the TAT current. To estimate the effects of multiple traps, we assume that the traps themselves do not interact with each other and as a whole do not modify the electrostatic potential dramatically. Within that model limitation, this numerical metrology study points to the critical importance of TAT in the IOFF in tunnel FETs. The model shows that for Dit higher than 1012/(cm2 eV) IO F F is critically increased with a degraded IO N/IO F F ratio of the tunnel FET. In order to have an IO N/IO F F ratio higher than 104, the acceptable Dit near Ev should be controlled to no larger than 1012/(cm2 eV) .

Thermally assisted infrared multiphoton photodissociation in a quadrupole ion trap.

PubMed

Payne, A H; Glish, G L

2001-08-01

Thermally assisted infrared multiphoton photodissociation (TA-IRMPD) provides an effective means to dissociate ions in the quadrupole ion trap mass spectrometer (QITMS) without detrimentally affecting the performance of the instrument. IRMPD can offer advantages over collision-induced dissociation (CID). However, collisions with the QITMS bath gas at the standard pressure and ambient temperature cause IR-irradiated ions to lose energy faster than photons can be absorbed to induce dissociation. The low pressure required for IRMPD (< or = 10(-5) Torr) is not that required for optimal performance of the QITMS (10(-3) Torr), and sensitivity and resolution suffer. TA-IRMPD is performed with the bath gas at an elevated temperature. The higher temperature of the bath gas results in less energy lost in collisions of the IR-excited ions with the bath gas. Thermal assistance allows IRMPD to be used at or near optimal pressures, which results in an approximately 1 order of magnitude increase in signal intensity. Unlike CID, IRMPD allows small product ions, those less than about one-third the m/z of the parent ion, to be observed. IRMPD should also be more easily paired with fluctuating ion sources, as the corresponding fluctuations in resonant frequencies do not affect IRMPD. Finally, while IR irradiation nonselectively causes dissociation of all ions, TA-IRMPD can be made selective by using axial expansion to move ions away from the path of the laser beam.

Screening and identification of steroidal saponins from Anemarrhena asphodeloides employing UPLC tandem triple quadrupole linear ion trap mass spectrometry.

PubMed

Xia, Yong-Gang; Guo, Xin-Dong; Liang, Jun; Yang, Bing-You; Kuang, Hai-Xue

2017-09-01

This study presents a practical and valid strategy for the screening and structural characterization of Anemarrhena asphodeloides Bge steroidal saponins (SSs) using ultra-high performance liquid chromatography coupled with triple quadrupole linear ion trap mass spectrometry. The whole analytical protocols integrate four-step procedures in the positive mode: (1) rational deduction of mass fragmentation pathways of A. asphodeloides SSs; (2) untargeted screening of potential A. asphodeloides SSs by multiple-ion monitoring-information-dependent-acquiring-enhanced product ion (MIM-IDA-EPI) scan through reverse phase liquid chromatography; (3) comprehensive construction of an ammoniated precursor ion database by combining untargeted MIM-IDA-EPI scans and data literature; and (4) structural interpretation of targeted A. asphodeloides SSs using MIM-IDA-EPI and multiple reaction monitoring (MRM)-IDA-EPI with an energy-resolved technique. The protocols were used to analyze SSs in A. asphodeloides; of the 87 detected SSs that were unambiguously characterized or tentatively identified, 19 compounds were the first to be reported from A. asphodeloides and 13 ones were characterized as potential new compounds. Accuracy of the analytical procedure was demonstrated by structural identification of three SSs by NMR spectroscopy. The proposed schemes hold an excellent promise in the structural prediction and interpretation of complex SSs from plant medicines by mass spectrometry. Copyright © 2017 Elsevier Inc. All rights reserved.

Demonstration of charge breeding in a compact room temperature electron beam ion trap

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

Vorobjev, G.; Sokolov, A.; Herfurth, F.

2012-05-15

For the first time, a small room-temperature electron beam ion trap (EBIT), operated with permanent magnets, was successfully used for charge breeding experiments. The relatively low magnetic field of this EBIT does not contribute to the capture of the ions; single-charged ions are only caught by the space charge potential of the electron beam. An over-barrier injection method was used to fill the EBIT's electrostatic trap with externally produced, single-charged potassium ions. Charge states as high as K{sup 19+} were reached after about a 3 s breeding time. The capture and breeding efficiencies up to 0.016(4)% for K{sup 17+} havemore » been measured.« less

Theoretical studies of the mechanism of the action of the neurohypophyseal hormones. I. Molecular electrostatic potential (MEP) and molecular electrostatic field (MEF) maps of some vasopressin analogues

NASA Astrophysics Data System (ADS)

Liwo, Adam; Tempczyk, Anna; Grzonka, Zbigniew

1989-09-01

Continuing our theoretical studies of the oxytocin and vasopressin analogues, we have analysed the molecular electrostatic potential (MEP) and the norm of the molecular electrostatic field (MEF) of [1- β-mercaptopropionic acid]-arginine-vasopressin ([Mpa1]-AVP), [1-( β-mercapto- β,β-cyclopentamethylene)propionic acid]-arginine-vasopressin ([Cpp']-AVP), and [1-thiosalicylic acid]-arginine-vasopressin ([Ths']-AVP) whose low-energy conformations were calculated in our previous work. These compounds are known from experiment to exhibit different biological activity. The scalar fields mentioned determine the energy of interaction with either charged (MEP) or polar (MEF) species, the energy being in the second case either optimal or Boltzmann-averaged over all the possible orientations of the dipole moment versus the electrostatic field. The electrostatic interactions slowly vanish with distance and can therefore be considered to be the factor determining the molecular shape at greater distances, which can help in both predicting the interactions with the receptor at the stage of remote recognition and in finding the preferred directions of solvation by a polar solvent. In the analysis of the fields three techniques have been used: (i) the construction of maps in certain planes; (ii) the construction of maps on spheres centered in the charge center of the molecule under study and of poles chosen according to the main axes of the quadrupole moment; and (iii) the construction of surfaces corresponding to a given value of potential. The results obtained show that the shapes of both MEP and MEF are similar in the case of [Mpa1]-AVP and [Cpp1-AVP (biologically active), while some differences emerge when comparing these compounds with [Ths1]-AVP (inactive). It has also been found that both MEP and MEF depend even more strongly on conformation.

The fate of b-ions in the two worlds of collision-induced dissociation.

PubMed

Waldera-Lupa, Daniel M; Stefanski, Anja; Meyer, Helmut E; Stühler, Kai

2013-12-01

Fragment analysis of proteins and peptides by mass spectrometry using collision-induced dissociation (CID) revealed that the pairwise generated N-terminal b- and C-terminal y-ions have different stabilities resulting in underrepresentation of b-ions. Detailed analyses of large-scale spectra databases and synthetic peptides underlined these observations and additionally showed that the fragmentation pattern depends on utilized CID regime. To investigate this underrepresentation further we systematically compared resonant excitation energy and beam-type CID facilitated on different mass spectrometer platforms: (i) quadrupole time-of-flight, (ii) linear ion trap and (iii) three-dimensional ion trap. Detailed analysis of MS/MS data from a standard tryptic protein digest revealed that b-ions are significantly underrepresented on all investigated mass spectrometers. By N-terminal acetylation of tryptic peptides we show for the first time that b-ion cyclization reaction significantly contributes to b-ion underrepresentation even on ion trap instruments and accounts for at most 16% of b-ion loss. © 2013.

Identifying the tobacco related free radicals by UPCC-QTOF-MS with radical trapping method in mainstream cigarette smoke.

PubMed

Wang, Ying; Liu, Misha; Zhu, Yingjing; Cheng, Kuan; Da Wu; Liu, Baizhan; Li, Fengting

2016-11-01

Tobacco related free radicals (TFRs) in the cigarette smoke are specific classes of hazardous compounds that merit concern. In this study, we developed a hybrid method to identify TFRs directly based on ultra-performance convergence chromatography with a quadrupole time-of-flight mass spectrometry (UPCC-QTOF MS) combined spin trapping technique. The short-lived TFRs were stabilized successfully in situ through spin trapping procedure and UPCC was applied to facilitate efficient separation of complex derivative products. Coupling of orthogonal partial least squares discriminant analysis (OPLS-DA), UPCC-QTOF MS system enabled us to identify specific potential TFRs with exact chemical formula. Moreover, computational stimulations have been carried out to evaluate the optimized stability of TFRs. This work is a successful demonstration for the application of an advanced hyphenated technique for separation of TFRs with short detection time (less than 7min) and high throughput. Copyright © 2016 Elsevier B.V. All rights reserved.

Comparison of functional group selective ion-molecule reactions of trimethyl borate in different ion trap mass spectrometers

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

Habicht, S C; Vinueza, Nelson R; Amundson, Lucas M

2011-02-01

We report here a comparison of the use of diagnostic ion–molecule reactions for the identification of oxygen-containing functional groups in Fourier-transform ion cyclotron resonance (FTICR) and linear quadrupole ion trap (LQIT) mass spectrometers. The ultimate goal of this research is to be able to identify functionalities in previously unknown analytes by using many different types of mass spectrometers. Previous work has focused on the reactions of various boron reagents with protonated oxygen-containing analytes in FTICR mass spectrometers. By using a LQIT modified to allow the introduction of neutral reagents into the helium buffer gas, this methodology has been successfully implementedmore » to this type of an ion trap instrument. The products obtained from the reactions of trimethyl borate (TMB) with various protonated analytes are compared for the two instruments. Finally, the ability to integrate these reactions into LC-MS experiments on the LQIT is demonstrated.« less

DC Potentials Applied to an End-cap Electrode of a 3-D Ion Trap for Enhanced MSn Functionality

PubMed Central

Prentice, Boone M.; Xu, Wei; Ouyang, Zheng; McLuckey, Scott A.

2010-01-01

The effects of the application of various DC magnitudes and polarities to an end-cap of a 3-D quadrupole ion trap throughout a mass spectrometry experiment were investigated. Application of a monopolar DC field was achieved by applying a DC potential to the exit end-cap electrode, while maintaining the entrance end-cap electrode at ground potential. Control over the monopolar DC magnitude and polarity during time periods associated with ion accumulation, mass analysis, ion isolation, ion/ion reaction, and ion activation can have various desirable effects. Included amongst these are increased ion capture efficiency, increased ion ejection efficiency during mass analysis, effective isolation of ions using lower AC resonance ejection amplitudes, improved temporal control of the overlap of oppositely charged ion populations, and the performance of “broad-band” collision induced dissociation (CID). These results suggest general means to improve the performance of the 3-D ion trap in a variety of mass spectrometry and tandem mass spectrometry experiments. PMID:21927573

Progress toward studies of bubble-geometry Bose-Einstein condensates in microgravity with a ground-based prototype of NASA CAL

NASA Astrophysics Data System (ADS)

Lundblad, Nathan; Jarvis, Thomas; Paseltiner, Daniel; Lannert, Courtney

2016-05-01

We have proposed using NASA's Cold Atom Laboratory (CAL, launching to the International Space Station in 2017) to generate bubble-geometry Bose-Einstein condensates through radiofrequency dressing of an atom-chip magnetic trap. This geometry has not been truly realized terrestrially due to the perturbing influence of gravity, making it an ideal candidate for microgravity investigation aboard CAL. We report progress in the construction of a functional prototype of the orbital BEC apparatus: a compact atom-chip machine loaded by a 2D+MOT source, conventional 3D MOT, quadrupole trap, and transfer coil. We also present preliminary modeling of the dressed trap uniformity, which will crucially inform the geometric closure of the BEC shell surface as atom number, bubble radius, and bubble aspect ratio are varied. Finally, we discuss plans for experimental sequences to be run aboard CAL guided by intuition from ground-based prototype operation. JPL 1502172.

Pushing the Limit of Infrared Multiphoton Dissociation to Megadalton-Size DNA Ions.

PubMed

Doussineau, Tristan; Antoine, Rodolphe; Santacreu, Marion; Dugourd, Philippe

2012-08-16

We report the use of infrared multiphoton dissociation (IRMPD) for the determination of relative activation energies for unimolecular dissociation of megadalton DNA ions. Single ions with masses in the megadalton range were stored in an electrostatic ion trap for a few tens of milliseconds and the image current generated by the roundtrips of ions in the trap was recorded. While being trapped, single ions were irradiated by a CO2 laser and fragmented, owing to multiphoton IR activation. The analysis of the single-ion image current during the heating period allows us to measure changes in the charge of the trapped ion. We estimated the activation energy associated with the dissociation of megadalton-size DNA ions in the frame of an Arrhenius-like model by analyzing a large set of individual ions in order to construct a frequency histogram of the dissociation rates for a collection of ions.

Reversible gating of smart plasmonic molecular traps using thermoresponsive polymers for single-molecule detection

PubMed Central

Zheng, Yuanhui; Soeriyadi, Alexander H.; Rosa, Lorenzo; Ng, Soon Hock; Bach, Udo; Justin Gooding, J.

2015-01-01

Single-molecule surface-enhanced Raman spectroscopy (SERS) has attracted increasing interest for chemical and biochemical sensing. Many conventional substrates have a broad distribution of SERS enhancements, which compromise reproducibility and result in slow response times for single-molecule detection. Here we report a smart plasmonic sensor that can reversibly trap a single molecule at hotspots for rapid single-molecule detection. The sensor was fabricated through electrostatic self-assembly of gold nanoparticles onto a gold/silica-coated silicon substrate, producing a high yield of uniformly distributed hotspots on the surface. The hotspots were isolated with a monolayer of a thermoresponsive polymer (poly(N-isopropylacrylamide)), which act as gates for molecular trapping at the hotspots. The sensor shows not only a good SERS reproducibility but also a capability to repetitively trap and release molecules for single-molecular sensing. The single-molecule sensitivity is experimentally verified using SERS spectral blinking and bianalyte methods. PMID:26549539

Measurement of the trapping and detrapping properties of polymers in relation with their microstructure

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

Vallayer, B.; Hourquebie, P.; Marsacq, D.

1996-12-31

In the field of Space Charge Physics, the role of electrical traps on space charge behavior and therefore on the breakdown properties has been now well-established. However, the traps in polymers are very difficult to define compared to the case of ceramics for which a lot of studies have been performed. A new specific method for measuring the trapping and detrapping properties of dielectric materials has been developed. This method allows to characterize the electrostatic state of an insulating sample after irradiation by a high energy electron beam. The authors discuss the basis of the method and its general possibilitiesmore » to measure the breakdown relevant parameters as the secondary electron yield for instance. Moreover, the method has been used on several polymers as HDPE and LDPE. The difference of trapping properties between those materials can be explained by microstructure evolutions (crystallinity ratio) due to a difference of the branching rate. This difference of trapping and detrapping properties of these two polymers could be connected to the breakdown behavior of the two materials which is known to be very different.« less

Electron impact action spectroscopy of mass/charge selected macromolecular ions: Inner-shell excitation of ubiquitin protein

DOE PAGES

Rankovic, Milos Lj.; Giuliani, Alexandre; Milosavljevic, Aleksandar R.

2016-02-11

In this study, we have performed inner-shell electron impact action spectroscopy of mass and charge selected macromolecular ions. For this purpose, we have coupled a focusing electron gun with a linear quadrupole ion trap mass spectrometer. This experiment represents a proof of principle that an energy-tunable electron beam can be used in combination with radio frequency traps as an activation method in tandem mass spectrometry (MS 2) and allows performing action spectroscopy. Electron impact MS 2 spectra of multiply protonated ubiquitin protein ion have been recorded at incident electron energies around the carbon 1s excitation. Both MS 2 and singlemore » ionization energy dependence spectra are compared with literature data obtained using the soft X-ray activation conditions.« less

Electron impact action spectroscopy of mass/charge selected macromolecular ions: Inner-shell excitation of ubiquitin protein

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

Rankovic, Milos Lj.; Giuliani, Alexandre; Milosavljevic, Aleksandar R.

In this study, we have performed inner-shell electron impact action spectroscopy of mass and charge selected macromolecular ions. For this purpose, we have coupled a focusing electron gun with a linear quadrupole ion trap mass spectrometer. This experiment represents a proof of principle that an energy-tunable electron beam can be used in combination with radio frequency traps as an activation method in tandem mass spectrometry (MS 2) and allows performing action spectroscopy. Electron impact MS 2 spectra of multiply protonated ubiquitin protein ion have been recorded at incident electron energies around the carbon 1s excitation. Both MS 2 and singlemore » ionization energy dependence spectra are compared with literature data obtained using the soft X-ray activation conditions.« less

Direct atmospheric pressure chemical ionisation ion trap mass spectrometry for aroma analysis: Speed, sensitivity and resolution of isobaric compounds

NASA Astrophysics Data System (ADS)

Jublot, Lionel; Linforth, Robert S. T.; Taylor, Andrew J.

2005-06-01

Atmospheric pressure chemical ionisation (APCI) sources were developed for real time analysis of volatile release from foods using an ion trap (IT) mass spectrometer (MS). Key objectives were spectral simplicity (minimal fragmentation), response time and signal to noise ratio. The benefits of APCI-IT-MS were assessed by comparing the performance for in vivo and headspace analyses with that obtained using APCI coupled to a quadrupole mass analyser. Using MS-MS, direct APCI-IT-MS was able to differentiate mixtures of some C6 and terpene isobaric aroma compounds. Resolution could be achieved for some compounds by monitoring specific secondary ions. Direct resolution was also achieved with two of the three isobaric compounds released from chocolate with time as the sample was eaten.

Dipolar DC Collisional Activation in a "Stretched" 3-D Ion Trap: The Effect of Higher Order Fields on rf-Heating

NASA Astrophysics Data System (ADS)

Prentice, Boone M.; McLuckey, Scott A.

2012-04-01

Applying dipolar DC (DDC) to the end-cap electrodes of a 3-D ion trap operated with a bath gas at roughly 1 mTorr gives rise to `rf-heating' and can result in collision-induced dissociation (CID). This approach to ion trap CID differs from the conventional single-frequency resonance excitation approach in that it does not rely on tuning a supplementary frequency to coincide with the fundamental secular frequeny of the precursor ion of interest. Simulations using the program ITSIM 5.0 indicate that application of DDC physically displaces ions solely in the axial (inter end-cap) dimension whereupon ion acceleration occurs via power absorption from the drive rf. Experimental data shows that the degree of rf-heating in a stretched 3-D ion trap is not dependent solely on the ratio of the dipolar DC voltage/radio frequency (rf) amplitude, as a model based on a pure quadrupole field suggests. Rather, ion temperatures are shown to increase as the absolute values of the dipolar DC and rf amplitude both decrease. Simulations indicate that the presence of higher order multi-pole fields underlies this unexpected behavior. These findings have important implications for the use of DDC as a broad-band activation approach in multi-pole traps.

Integral glass encapsulation for solar arrays

NASA Technical Reports Server (NTRS)

Landis, G. A.

1981-01-01

Electrostatic bonding technology, an encapsulation technique for terrestrial solar array was developed. The process produces full integral, hermetic bonds with no adhesives or pottants. Panels of six solar cells on a simple glass superstrate were produced. Electrostatic bonding for making the cell front contact was also developed. A metal mesh is trapped into contact with the cell front during the bonding process. Six cell panels using the bonded mesh as the only cell front contact were produced. The possibility of using lower cost glass, with a higher thermal expansion mismatch to silicon, by making lower temperature bonds is developed. However, this requires a planar surface cell.

Plasma Modes

NASA Astrophysics Data System (ADS)

Dubin, D. H. E.

This chapter explores several aspects of the linear electrostatic normal modes of oscillation for a single-species non-neutral plasma in a Penning trap. Linearized fluid equations of motion are developed, assuming the plasma is cold but collisionless, which allow derivation of the cold plasma dielectric tensor and the electrostatic wave equation. Upper hybrid and magnetized plasma waves in an infinite uniform plasma are described. The effect of the plasma surface in a bounded plasma system is considered, and the properties of surface plasma waves are characterized. The normal modes of a cylindrical plasma column are discussed, and finally, modes of spheroidal plasmas, and finite temperature effects on the modes, are briefly described.

First muon acceleration using a radio-frequency accelerator

NASA Astrophysics Data System (ADS)

Bae, S.; Choi, H.; Choi, S.; Fukao, Y.; Futatsukawa, K.; Hasegawa, K.; Iijima, T.; Iinuma, H.; Ishida, K.; Kawamura, N.; Kim, B.; Kitamura, R.; Ko, H. S.; Kondo, Y.; Li, S.; Mibe, T.; Miyake, Y.; Morishita, T.; Nakazawa, Y.; Otani, M.; Razuvaev, G. P.; Saito, N.; Shimomura, K.; Sue, Y.; Won, E.; Yamazaki, T.

2018-05-01

Muons have been accelerated by using a radio-frequency accelerator for the first time. Negative muonium atoms (Mu- ), which are bound states of positive muons (μ+) and two electrons, are generated from μ+'s through the electron capture process in an aluminum degrader. The generated Mu- 's are initially electrostatically accelerated and injected into a radio-frequency quadrupole linac (RFQ). In the RFQ, the Mu- 's are accelerated to 89 keV. The accelerated Mu- 's are identified by momentum measurement and time of flight. This compact muon linac opens the door to various muon accelerator applications including particle physics measurements and the construction of a transmission muon microscope.

Nonlinear dynamics of resonant electrons interacting with coherent Langmuir waves

NASA Astrophysics Data System (ADS)

Tobita, Miwa; Omura, Yoshiharu

2018-03-01

We study the nonlinear dynamics of resonant particles interacting with coherent waves in space plasmas. Magnetospheric plasma waves such as whistler-mode chorus, electromagnetic ion cyclotron waves, and hiss emissions contain coherent wave structures with various discrete frequencies. Although these waves are electromagnetic, their interaction with resonant particles can be approximated by equations of motion for a charged particle in a one-dimensional electrostatic wave. The equations are expressed in the form of nonlinear pendulum equations. We perform test particle simulations of electrons in an electrostatic model with Langmuir waves and a non-oscillatory electric field. We solve equations of motion and study the dynamics of particles with different values of inhomogeneity factor S defined as a ratio of the non-oscillatory electric field intensity to the wave amplitude. The simulation results demonstrate deceleration/acceleration, thermalization, and trapping of particles through resonance with a single wave, two waves, and multiple waves. For two-wave and multiple-wave cases, we describe the wave-particle interaction as either coherent or incoherent based on the probability of nonlinear trapping.

Controlling electrostatic charging of nanocrystalline diamond at nanoscale.

PubMed

Verveniotis, Elisseos; Kromka, Alexander; Rezek, Bohuslav

2013-06-11

Constant electrical current in the range of -1 to -200 pA is applied by an atomic force microscope (AFM) in contact mode regime to induce and study local electrostatic charging of oxygen-terminated nanocrystalline diamond (NCD) thin films. The NCD films are deposited on silicon in 70 nm thickness and with 60% relative sp(2) phase content. Charging current is monitored by conductive AFM. Electric potential contrast induced by the current is evaluated by Kelvin force microscopy (KFM). KFM shows well-defined, homogeneous, and reproducible microscopic patterns that are not influenced by inherent tip-surface junction fluctuations during the charging process. The charged patterns are persistent for at least 72 h due to charge trapping inside the NCD film. The current-induced charging also clearly reveals field-induced detrapping at current amplitudes >-50 pA and tip instability at >-150 pA, both of which limit the achievable potential contrast. In addition, we show that the field also determines the range of electronic states that can trap the charge. We present a model and discuss implications for control of the nanoscale charging process.

Tandem mass spectrometry of coprogen and deferoxamine hydroxamic siderophores.

PubMed

Simionato, Ana V C; de Souza, Gezimar D; Rodrigues-Filho, Edson; Glick, James; Vouros, Paul; Carrilho, Emanuel

2006-01-01

Mechanisms of fragmentation of hydroxamic siderophores are proposed comparing deuterated and nondeuterated samples. Standard siderophores (e.g. deferoxamine and coprogen) were directly injected into both ion trap and linear quadrupole mass spectrometers with electrospray ionization (ESI). Four and two fragmentation steps were carried out for deferoxamine and coprogen (analyzed by positive and negative ESI, respectively). Deferoxamine cleavages occurred in both peptide and hydroxamic bonds while the coprogen fragmentation pattern is more elaborate, since it contains Fe(III) in its structure.

Measuring three-dimensional interaction potentials using optical interference.

PubMed

Mojarad, Nassir; Sandoghdar, Vahid; Krishnan, Madhavi

2013-04-22

We describe the application of three-dimensional (3D) scattering interferometric (iSCAT) imaging to the measurement of spatial interaction potentials for nano-objects in solution. We study electrostatically trapped gold particles in a nanofluidic device and present details on axial particle localization in the presence of a strongly reflecting interface. Our results demonstrate high-speed (~kHz) particle tracking with subnanometer localization precision in the axial and average 2.5 nm in the lateral dimension. A comparison of the measured levitation heights of trapped particles with the calculated values for traps of various geometries reveals good agreement. Our work demonstrates that iSCAT imaging delivers label-free, high-speed and accurate 3D tracking of nano-objects conducive to probing weak and long-range interaction potentials in solution.

Three-photon Gaussian-Gaussian-Laguerre-Gaussian excitation of a localized atom to a highly excited Rydberg state

NASA Astrophysics Data System (ADS)

Mashhadi, L.

2017-12-01

Optical vortices are currently one of the most intensively studied topics in light-matter interaction. In this work, a three-step axial Doppler- and recoil-free Gaussian-Gaussian-Laguerre-Gaussian (GGLG) excitation of a localized atom to the highly excited Rydberg state is presented. By assuming a large detuning for intermediate states, an effective quadrupole excitation related to the Laguerre-Gaussian (LG) excitation to the highly excited Rydberg state is obtained. This special excitation system radially confines the single highly excited Rydberg atom independently of the trapping system into a sharp potential landscape into the so-called ‘far-off-resonance optical dipole-quadrupole trap’ (FORDQT). The key parameters of the Rydberg excitation to the highly excited state, namely the effective Rabi frequency and the effective detuning including a position-dependent AC Stark shift, are calculated in terms of the basic parameters of the LG beam and of the polarization of the excitation lasers. It is shown that the obtained parameters can be tuned to have a precise excitation of a single atom to the desired Rydberg state as well. The features of transferring the optical orbital and spin angular momentum of the polarized LG beam to the atom via quadrupole Rydberg excitation offer a long-lived and controllable qudit quantum memory. In addition, in contrast to the Gaussian laser beam, the doughnut-shaped LG beam makes it possible to use a high intensity laser beam to increase the signal-to-noise ratio in quadrupole excitation with minimized perturbations coming from stray light broadening in the last Rydberg excitation process.

Electrostatic drift instability in a magnetotail configuration: The role of bouncing electrons

NASA Astrophysics Data System (ADS)

Fruit, G.; Louarn, P.; Tur, A.

2017-03-01

To understand the possible destabilization of two-dimensional current sheets, a kinetic model is proposed to describe the resonant interaction between electrostatic modes and trapped electrons that bounce within the sheet. This work follows the initial investigation by Tur, Louarn, and Yanovsky [Phys. Plasmas 17, 102905 (2010)] and Fruit, Louarn, and Tur [Phys. Plasmas 20, 022113 (2013)] that is revised and extended. Using a quasi-dipolar equilibrium state, the linearized gyro-kinetic Vlasov equation is solved for electrostatic fluctuations with a period of the order of the electron bounce period. Using an appropriated Fourier expansion of the particle motion along the magnetic field, the complete time integration of the non-local perturbed distribution functions is performed. The dispersion relation for electrostatic modes is then obtained through the quasineutrality condition. It is found that for a mildly stretched configuration ( L ˜8 ), strongly unstable electrostatic modes may develop in the current sheet with the growth rate of the order of a few seconds provided that the background density gradient responsible for the diamagnetic drift effects is sharp enough: typical length scale over one Earth radius or less. However, when this condition in the density gradient is not met, these electrostatic modes grow too slowly to be accountable for a rapid destabilization of the magnetic structure. This strong but finely tuned instability may offer opportunities to explain features in magnetospheric substorms.

Optical Trap Loading of Dielectric Microparticles In Air.

PubMed

Park, Haesung; LeBrun, Thomas W

2017-02-05

We demonstrate a method to trap a selected dielectric microparticle in air using radiation pressure from a single-beam gradient optical trap. Randomly scattered dielectric microparticles adhered to a glass substrate are momentarily detached using ultrasonic vibrations generated by a piezoelectric transducer (PZT). Then, the optical beam focused on a selected particle lifts it up to the optical trap while the vibrationally excited microparticles fall back to the substrate. A particle may be trapped at the nominal focus of the trapping beam or at a position above the focus (referred to here as the levitation position) where gravity provides the restoring force. After the measurement, the trapped particle can be placed at a desired position on the substrate in a controlled manner. In this protocol, an experimental procedure for selective optical trap loading in air is outlined. First, the experimental setup is briefly introduced. Second, the design and fabrication of a PZT holder and a sample enclosure are illustrated in detail. The optical trap loading of a selected microparticle is then demonstrated with step-by-step instructions including sample preparation, launching into the trap, and use of electrostatic force to excite particle motion in the trap and measure charge. Finally, we present recorded particle trajectories of Brownian and ballistic motions of a trapped microparticle in air. These trajectories can be used to measure stiffness or to verify optical alignment through time domain and frequency domain analysis. Selective trap loading enables optical tweezers to track a particle and its changes over repeated trap loadings in a reversible manner, thereby enabling studies of particle-surface interaction.

[Qualitative and quantitative analysis of amygdalin and its metabolite prunasin in plasma by ultra-high performance liquid chromatography-tandem quadrupole time of flight mass spectrometry and ultra-high performance liquid chromatography-tandem triple quadrupole mass spectrometry].

PubMed

Gao, Meng; Wang, Yuesheng; Wei, Huizhen; Ouyang, Hui; He, Mingzhen; Zeng, Lianqing; Shen, Fengyun; Guo, Qiang; Rao, Yi

2014-06-01

A method was developed for the determination of amygdalin and its metabolite prunasin in rat plasma after intragastric administration of Maxing shigan decoction. The analytes were identified by ultra-high performance liquid chromatography-tandem quadrupole time of flight mass spectrometry and quantitatively determined by ultra-high performance liquid chromatography-tandem triple quadrupole mass spectrometry. After purified by liquid-liquid extraction, the qualitative analysis of amygdalin and prunasin in the plasma sample was performed on a Shim-pack XR-ODS III HPLC column (75 mm x 2.0 mm, 1.6 microm), using acetonitrile-0.1% (v/v) formic acid aqueous solution. The detection was performed on a Triple TOF 5600 quadrupole time of flight mass spectrometer. The quantitative analysis of amygdalin and prunasin in the plasma sample was performed by separation on an Agilent C18 HPLC column (50 mm x 2.1 mm, 1.7 microm), using acetonitrile-0.1% (v/v) formic acid aqueous solution. The detection was performed on an AB Q-TRAP 4500 triple quadrupole mass spectrometer utilizing electrospray ionization (ESI) interface operated in negative ion mode and multiple-reaction monitoring (MRM) mode. The qualitative analysis results showed that amygdalin and its metabolite prunasin were detected in the plasma sample. The quantitative analysis results showed that the linear range of amygdalin was 1.05-4 200 ng/mL with the correlation coefficient of 0.999 0 and the linear range of prunasin was 1.25-2 490 ng/mL with the correlation coefficient of 0.997 0. The method had a good precision with the relative standard deviations (RSDs) lower than 9.20% and the overall recoveries varied from 82.33% to 95.25%. The limits of detection (LODs) of amygdalin and prunasin were 0.50 ng/mL. With good reproducibility, the method is simple, fast and effective for the qualitative and quantitative analysis of the amygdalin and prunasin in plasma sample of rats which were administered by Maxing shigan decoction.

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

Heinemann, Thomas, E-mail: thomas.heinemann@tu-berlin.de; Klapp, Sabine H. L., E-mail: klapp@physik.tu-berlin.de; Palczynski, Karol, E-mail: karol.palczynski@helmholtz-berlin.de

In this article, we present and compare two different, coarse-grained approaches to model electrostatic interactions of disc-shaped aromatic molecules, specifically coronene. Our study builds on our previous work [T. Heinemann et al., J. Chem. Phys. 141, 214110 (2014)], where we proposed, based on a systematic coarse-graining procedure starting from the atomistic level, an anisotropic effective (Gay-Berne-like) potential capable of describing van der Waals contributions to the interaction energy. To take into account electrostatics, we introduce, first, a linear quadrupole moment along the symmetry axis of the coronene disc. The second approach takes into account the fact that the partial chargesmore » within the molecules are distributed in a ring-like fashion. We then reparametrize the effective Gay-Berne-like potential such that it matches, at short distances, the ring-ring potential. To investigate the validity of these two approaches, we perform many-particle molecular dynamics simulations, focusing on the crystalline phase (karpatite) where electrostatic interaction effects are expected to be particularly relevant for the formation of tilted stacked columns. Specifically, we investigate various structural parameters as well as the melting transition. We find that the second approach yields consistent results with those from experiments despite the fact that the underlying potential decays with the wrong distance dependence at large molecule separations. Our strategy can be transferred to a broader class of molecules, such as benzene or hexabenzocoronene.« less

Mass Spectrometers in Space!

NASA Technical Reports Server (NTRS)

Brinckerhoff, William B.

2012-01-01

Exploration of our solar system over several decades has benefitted greatly from the sensitive chemical analyses offered by spaceflight mass spectrometers. When dealing with an unknown environment, the broadband detection capabilities of mass analyzers have proven extremely valuable in determining the composition and thereby the basic nature of space environments, including the outer reaches of Earth s atmosphere, interplanetary space, the Moon, and the planets and their satellites. Numerous mass analyzer types, including quadrupole, monopole, sector, ion trap, and time-of-flight have been incorporated in flight instruments and delivered robotically to a variety of planetary environments. All such instruments went through a rigorous process of application-specific development, often including significant miniaturization, testing, and qualification for the space environment. Upcoming missions to Mars and opportunities for missions to Venus, Europa, Saturn, Titan, asteroids, and comets provide new challenges for flight mass spectrometers that push to state of the art in fundamental analytical technique. The Sample Analysis at Mars (SAM) investigation on the recently-launch Mars Science Laboratory (MSL) rover mission incorporates a quadrupole analyzer to support direct evolved gas as well as gas chromatograph-based analysis of martian rocks and atmosphere, seeking signs of a past or present habitable environment. A next-generation linear ion trap mass spectrometer, using both electron impact and laser ionization, is being incorporated into the Mars Organic Molecule Analyzer (MOMA) instrument, which will be flown to Mars in 2018. These and other mass spectrometers and mission concepts at various stages of development will be described.

Lithium adduct as precursor ion for sensitive and rapid quantification of 20 (S)-protopanaxadiol in rat plasma by liquid chromatography/quadrupole linear ion trap mass spectrometry and application to rat pharmacokinetic study.

PubMed

Bao, Yuanwu; Wang, Quanying; Tang, Pingming

2013-03-01

A novel, rapid and sensitive liquid chromatography/quadrupole linear ion trap mass spectrometry [LC-ESI-(QqLIT)MS/MS] method was developed and validated for the quantification of protopanaxadiol (PPD) in rat plasma. Oleanolic acid (OA) was used as internal standard (IS). A simple protein precipitation based on acetonitrile (ACN) was employed. Chromatographic separation was performed on a Sepax GP-C18 column (50 × 2.1 mm, 5 μM) with a mobile phase consisting of ACN-water and 1.5 μM formic acid and 25 mM lithium acetate (90 : 10, v/v) at a flow rate of 0.4 ml/min for 3.0 min. Multiple-reaction-monitoring mode was performed using lithium adduct ion as precursor ion of m/z 467.5/449.4 and 455.6/407.4 for the drug and IS, respectively. Calibration curve was recovered over a concentration range of 0.5-100 ng/ml with a correlation coefficient >0.99. The limit of detection was 0.2 ng/ml in rat plasma for PPD. The results of the intraday and interday precision and accuracy studies were well within the acceptable limits. The validated method was successfully applied to investigate the pharmacokinetic study of PPD after intravenous and gavage administration to rat. Copyright © 2013 John Wiley & Sons, Ltd.

Experimental test of an online ion-optics optimizer

NASA Astrophysics Data System (ADS)

Amthor, A. M.; Schillaci, Z. M.; Morrissey, D. J.; Portillo, M.; Schwarz, S.; Steiner, M.; Sumithrarachchi, Ch.

2018-07-01

A technique has been developed and tested to automatically adjust multiple electrostatic or magnetic multipoles on an ion optical beam line - according to a defined optimization algorithm - until an optimal tune is found. This approach simplifies the process of determining high-performance optical tunes, satisfying a given set of optical properties, for an ion optical system. The optimization approach is based on the particle swarm method and is entirely model independent, thus the success of the optimization does not depend on the accuracy of an extant ion optical model of the system to be optimized. Initial test runs of a first order optimization of a low-energy (<60 keV) all-electrostatic beamline at the NSCL show reliable convergence of nine quadrupole degrees of freedom to well-performing tunes within a reasonable number of trial solutions, roughly 500, with full beam optimization run times of roughly two hours. Improved tunes were found both for quasi-local optimizations and for quasi-global optimizations, indicating a good ability of the optimizer to find a solution with or without a well defined set of initial multipole settings.

Qubit Residence Time Measurements with a Bose-Einstein Condensate

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

Sokolovski, D.

2009-06-12

We show that an electrostatic qubit located near a Bose-Einstein condensate trapped in a symmetric double-well potential can be used to measure the duration the qubit has spent in one of its quantum states. The strong, medium, and weak measurement regimes are analyzed. The analogy between the residence and the traversal (tunnelling) times is highlighted.

Slow electron acoustic double layer (SEADL) structures in bi-ion plasma with trapped electrons

NASA Astrophysics Data System (ADS)

Shan, Shaukat Ali; Imtiaz, Nadia

2018-05-01

The properties of ion acoustic double layer (IADL) structures in bi-ion plasma with electron trapping are investigated by using the quasi-potential analysis. The κ-distributed trapped electrons number density expression is truncated to some finite order of the electrostatic potential. By utilizing the reductive perturbation method, a modified Schamel equation which describes the evolution of the slow electron acoustic double layer (SEADL) with the modified speed due to the presence of bi-ion species is investigated. The Sagdeev-like potential has been derived which accounts for the effect of the electron trapping and superthermality in a bi-ion plasma. It is found that the superthermality index, the trapping efficiency of electrons, and ion to electron temperature ratio are the inhibiting parameters for the amplitude of the slow electron acoustic double layers (SEADLs). However, the enhanced population of the cold ions is found to play a supportive role for the low frequency DLs in bi-ion plasmas. The illustrations have been presented with the help of the bi-ion plasma parameters in the Earth's ionosphere F-region.

Characterization of trapped charges distribution in terms of mirror plot curve.

PubMed

Al-Obaidi, Hassan N; Mahdi, Ali S; Khaleel, Imad H

2018-01-01

Accumulation of charges (electrons) at the specimen surface in scanning electron microscope (SEM) lead to generate an electrostatic potential. By using the method of image charges, this potential is defined in the chamber's space of such apparatus. The deduced formula is expressed in terms a general volumetric distribution which proposed to be an infinitesimal spherical extension. With aid of a binomial theorem the defined potential is expanded to a multipolar form. Then resultant formula is adopted to modify a novel mirror plot equation so as to detect the real distribution of trapped charges. Simulation results reveal that trapped charges may take a various sort of arrangement such as monopole, quadruple and octuple. But existence of any of these arrangements alone may never be take place, rather are some a formations of a mix of them. Influence of each type of these profiles depends on the distance between the incident electron and surface of a sample. Result also shows that trapped charge's amount of trapped charges can refer to a threshold for failing of point charge approximation. Copyright © 2017 Elsevier B.V. All rights reserved.

Ultracold molecules for the masses: Evaporative cooling and magneto-optical trapping

NASA Astrophysics Data System (ADS)

Stuhl, B. K.

While cold molecule experiments are rapidly moving towards their promised benefits of precision spectroscopy, controllable chemistry, and novel condensed phases, heretofore the field has been greatly limited by a lack of methods to cool and compress chemically diverse species to temperatures below ten millikelvin. While in atomic physics these needs are fulfilled by laser cooling, magneto-optical trapping, and evaporative cooling, until now none of these techniques have been applicable to molecules. In this thesis, two major breakthroughs are reported. The first is the observation of evaporative cooling in magnetically trapped hydroxyl (OH) radicals, which potentially opens a path all the way to Bose-Einstein condensation of dipolar radicals, as well as allowing cold- and ultracold-chemistry studies of fundamental reaction mechanisms. Through the combination of an extremely high gradient magnetic quadrupole trap and the use of the OH Λ-doublet transition to enable highly selective forced evaporation, cooling by an order of magnitude in temperature was achieved and yielded a final temperature no higher than 5mK. The second breakthrough is the successful application of laser cooling and magneto-optical trapping to molecules. Motivated by a proposal in this thesis, laser cooling of molecules is now known to be technically feasible in a select but substantial pool of diatomic molecules. The demonstration of not only Doppler cooling but also two-dimensional magneto-optical trapping in yttrium (II) oxide, YO, is expected to enable rapid growth in the availability of ultracold molecules—just as the invention of the atomic magneto-optical trap stimulated atomic physics twenty-five years ago.

Stochastic three-wave interaction in flaring solar loops

NASA Technical Reports Server (NTRS)

Vlahos, L.; Sharma, R. R.; Papadopoulos, K.

1983-01-01

A model is proposed for the dynamic structure of high-frequency microwave bursts. The dynamic component is attributed to beams of precipitating electrons which generate electrostatic waves in the upper hybrid branch. Coherent upconversion of the electrostatic waves to electromagnetic waves produces an intrinsically stochastic emission component which is superposed on the gyrosynchrotron continuum generated by stably trapped electron fluxes. The role of the density and temperature of the ambient plasma in the wave growth and the transition of the three wave upconversion to stochastic, despite the stationarity of the energy source, are discussed in detail. The model appears to reproduce the observational features for reasonable parameters of the solar flare plasma.

Discharge pulse phenomenology

NASA Technical Reports Server (NTRS)

Frederickson, A. R.

1985-01-01

A model was developed which places radiation induced discharge pulse results into a unified conceptual framework. Only two phenomena are required to interpret all space and laboratory results: (1) radiation produces large electrostatic fields inside insulators via the trapping of a net space charge density; and (2) the electrostatic fields initiate discharge streamer plasmas similar to those investigated in high voltage electrical insulation materials; these streamer plasmas generate the pulsing phenomena. The apparent variability and diversity of results seen is an inherent feature of the plasma streamer mechanism acting in the electric fields which is created by irradiation of the dielectrics. The implications of the model are extensive and lead to constraints over what can be done about spacecraft pulsing.

The Laser Ablation Ion Funnel: Sampling for in situ Mass Spectrometry on Mars

NASA Technical Reports Server (NTRS)

Johnson, Paul V.; Hodyss, Robert; Tang, Keqi; Brinckerhoff, William B.; Smith, Richard D.

2011-01-01

A considerable investment has been made by NASA and other space agencies to develop instrumentation suitable for in situ analytical investigation of extra terrestrial bodies including various mass spectrometers (time-of-flight, quadrupole ion trap, quadrupole mass filters, etc.). However, the front-end sample handling that is needed to collect and prepare samples for interrogation by such instrumentation remains underdeveloped. Here we describe a novel approach tailored to the exploration of Mars where ions are created in the ambient atmosphere via laser ablation and then efficiently transported into a mass spectrometer for in situ analysis using an electrodynamic ion funnel. This concept would enable elemental and isotopic analysis of geological samples with the analysis of desorbed organic material a possibility as well. Such an instrument would be suitable for inclusion on all potential missions currently being considered such as the Mid-Range Rover, the Astrobiology Field Laboratory, and Mars Sample Return (i.e., as a sample pre-selection triage instrument), among others.

Vortex creation during magnetic trap manipulations of spinor Bose-Einstein condensates

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

Itin, A. P.; Space Research Institute, RAS, Moscow; Morishita, T.

2006-06-15

We investigate several mechanisms of vortex creation during splitting of a spinor Bose-Einstein condensate (BEC) in a magnetic double-well trap controlled by a pair of current carrying wires and bias magnetic fields. Our study is motivated by a recent MIT experiment on splitting BECs with a similar trap [Y. Shin et al., Phys. Rev. A 72, 021604 (2005)], where an unexpected fork-like structure appeared in the interference fringes indicating the presence of a singly quantized vortex in one of the interfering condensates. It is well known that in a spin-1 BEC in a quadrupole trap, a doubly quantized vortex ismore » topologically produced by a 'slow' reversal of bias magnetic field B{sub z}. Since in the experiment a doubly quantized vortex had never been seen, Shin et al. ruled out the topological mechanism and concentrated on the nonadiabatic mechanical mechanism for explanation of the vortex creation. We find, however, that in the magnetic trap considered both mechanisms are possible: singly quantized vortices can be formed in a spin-1 BEC topologically (for example, during the magnetic field switching-off process). We therefore provide a possible alternative explanation for the interference patterns observed in the experiment. We also present a numerical example of creation of singly quantized vortices due to 'fast' splitting; i.e., by a dynamical (nonadiabatic) mechanism.« less

Generation of forerunner electron beam during interaction of ion beam pulse with plasma

NASA Astrophysics Data System (ADS)

Hara, Kentaro; Kaganovich, Igor D.; Startsev, Edward A.

2018-01-01

The long-time evolution of the two-stream instability of a cold tenuous ion beam pulse propagating through the background plasma with density much higher than the ion beam density is investigated using a large-scale one-dimensional electrostatic kinetic simulation. The three stages of the instability are investigated in detail. After the initial linear growth and saturation by the electron trapping, a portion of the initially trapped electrons becomes detrapped and moves ahead of the ion beam pulse forming a forerunner electron beam, which causes a secondary two-stream instability that preheats the upstream plasma electrons. Consequently, the self-consistent nonlinear-driven turbulent state is set up at the head of the ion beam pulse with the saturated plasma wave sustained by the influx of the cold electrons from upstream of the beam that lasts until the final stage when the beam ions become trapped by the plasma wave. The beam ion trapping leads to the nonlinear heating of the beam ions that eventually extinguishes the instability.

Assessment of the ion-trap mass spectrometer for routine qualitative and quantitative analysis of drugs of abuse extracted from urine.

PubMed

Vorce, S P; Sklerov, J H; Kalasinsky, K S

2000-10-01

The ion-trap mass spectrometer (MS) has been available as a detector for gas chromatography (GC) for nearly two decades. However, it still occupies a minor role in forensic toxicology drug-testing laboratories. Quadrupole MS instruments make up the majority of GC detectors used in drug confirmation. This work addresses the use of these two MS detectors, comparing the ion ratio precision and quantitative accuracy for the analysis of different classes of abused drugs extracted from urine. Urine specimens were prepared at five concentrations each for amphetamine (AMP), methamphetamine (METH), benzoylecgonine (BZE), delta9-carboxy-tetrahydrocannabinol (delta9-THCCOOH), phencyclidine (PCP), morphine (MOR), codeine (COD), and 6-acetylmorphine (6-AM). Concentration ranges for AMP, METH, BZE, delta9-THCCOOH, PCP, MOR, COD, and 6-AM were 50-2500, 50-5000, 15-800, 1.5-65, 1-250, 500-32000, 250-21000, and 1.5-118 ng/mL, respectively. Sample extracts were injected into a GC-quadrupole MS operating in selected ion monitoring (SIM) mode and a GC-ion-trap MS operating in either selected ion storage (SIS) or full scan (FS) mode. Precision was assessed by the evaluation of five ion ratios for n = 15 injections at each concentration using a single-point calibration. Precision measurements for SIM ion ratios provided coefficients of variation (CV) between 2.6 and 9.8% for all drugs. By comparison, the SIS and FS data yielded CV ranges of 4.0-12.8% and 4.0-11.2%, respectively. The total ion ratio failure rates were 0.2% (SIM), 0.7% (SIS), and 1.2% (FS) for the eight drugs analyzed. Overall, the SIS mode produced stable, comparable mean ratios over the concentration ranges examined, but had greater variance within batch runs. Examination of postmortem and quality-control samples produced forensically accurate quantitation by SIS when compared to SIM. Furthermore, sensitivity of FS was equivalent to SIM for all compounds examined except for 6-AM.

Lie algebraic approach to the time-dependent quantum general harmonic oscillator and the bi-dimensional charged particle in time-dependent electromagnetic fields

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

Ibarra-Sierra, V.G.; Sandoval-Santana, J.C.; Cardoso, J.L.

We discuss the one-dimensional, time-dependent general quadratic Hamiltonian and the bi-dimensional charged particle in time-dependent electromagnetic fields through the Lie algebraic approach. Such method consists in finding a set of generators that form a closed Lie algebra in terms of which it is possible to express a quantum Hamiltonian and therefore the evolution operator. The evolution operator is then the starting point to obtain the propagator as well as the explicit form of the Heisenberg picture position and momentum operators. First, the set of generators forming a closed Lie algebra is identified for the general quadratic Hamiltonian. This algebra ismore » later extended to study the Hamiltonian of a charged particle in electromagnetic fields exploiting the similarities between the terms of these two Hamiltonians. These results are applied to the solution of five different examples: the linear potential which is used to introduce the Lie algebraic method, a radio frequency ion trap, a Kanai–Caldirola-like forced harmonic oscillator, a charged particle in a time dependent magnetic field, and a charged particle in constant magnetic field and oscillating electric field. In particular we present exact analytical expressions that are fitting for the study of a rotating quadrupole field ion trap and magneto-transport in two-dimensional semiconductor heterostructures illuminated by microwave radiation. In these examples we show that this powerful method is suitable to treat quadratic Hamiltonians with time dependent coefficients quite efficiently yielding closed analytical expressions for the propagator and the Heisenberg picture position and momentum operators. -- Highlights: •We deal with the general quadratic Hamiltonian and a particle in electromagnetic fields. •The evolution operator is worked out through the Lie algebraic approach. •We also obtain the propagator and Heisenberg picture position and momentum operators. •Analytical expressions for a rotating quadrupole field ion trap are presented. •Exact solutions for magneto-transport in variable electromagnetic fields are shown.« less

Magnetic moment measurements of gyroscopically stabilized graphene nanoplatelets levitated in an ion trap

NASA Astrophysics Data System (ADS)

Coppock, Joyce; Nagornykh, Pavel; Murphy, Jacob; Kane, Bruce

Measurement of small magnetic effects in 2D materials can be facilitated by decoupling the material from its substrate using particle trapping techniques. We investigate the mechanical and magnetic properties of a rotating micron-scale graphene nanoplatelet levitated in a quadrupole electric field trap in high vacuum. Its motion is observed optically, via the scattering of a low-power laser beam. Illumination by a circularly polarized laser causes the nanoplatelet to rotate at frequencies of 10-40 MHz. Frequency locking to an applied RF electric field stabilizes the nanoplatelet so that its axis of rotation is normal to its surface. We find that residual slow dynamics of the axis orientation are determined by an applied magnetic field. From frequency- and field-dependent measurements, we observe one magnetic moment arising from the rapid rotation of the charged nanoplatelet and one originating from diamagnetism, and we estimate their magnitudes. We determine a gyromagnetic ratio corresponding to the rotational moment and discuss our measurements of diamagnetism in the context of theories of the properties of graphene. Our measurements imply a torque sensitivity of better than 10-23 N-m.

Optical sideband spectroscopy of a single ion in a Penning trap

NASA Astrophysics Data System (ADS)

Mavadia, S.; Stutter, G.; Goodwin, J. F.; Crick, D. R.; Thompson, R. C.; Segal, D. M.

2014-03-01

We perform resolved optical sideband spectroscopy on a single 40Ca+ ion in a Penning trap. We probe the electric quadrupole allowed S1/2↔D5/2 transition at 729 nm and observe equally spaced sidebands for the three motional modes. The axial mode, parallel to the trap axis, is a one-dimensional harmonic oscillator, whereas the radial cyclotron and magnetron modes are circular motions perpendicular to the magnetic field. The total energy associated with the magnetron motion is negative, but here we probe only the (positive) kinetic energy. From the equivalent Doppler widths of the sideband spectra corresponding to the three motions we find effective temperatures of 1.1±0.2 mK, 7±3 mK, and 42±8 μK for the axial, modified cyclotron, and magnetron modes, respectively. These should be compared to the cooling limits, estimated using optimal laser parameters, of 0.38 mK, 0.8 mK, and ˜10 μK. In future work we aim to perform resolved-sideband cooling of the ion on the 729-nm transition.

Pulsed, high-current, in-line reversal electron attachment detector

NASA Technical Reports Server (NTRS)

Bernius, Mark T.; Chutjian, Ara

1989-01-01

A new, pulsed, high-current, in-line reversal electron attachment ionizer/detector is described. The ionizer is capable of delivering a beam of electrons into an electrostatic mirror field to form a planar wall of electrons having zero kinetic energy. Electron attachment to a molecular target at the reversal point produces either parent or fragment negative ions through a zero-energy (s-wave) state. The atomic or molecular ion is pulsed out of the attachment region approximately 2 microsec after the electrons are pulsed off, and focused onto the entrance plane of a quadrupole mass analyzer. The sensitivity of the apparatus is preliminarily assessed, and its higher-energy behavior with regard to molecular attachment and ionization is described.

Low-energy beam transport studies supporting the spallation neutron source 1-MW beam operation.

PubMed

Han, B X; Kalvas, T; Tarvainen, O; Welton, R F; Murray, S N; Pennisi, T R; Santana, M; Stockli, M P

2012-02-01

The H(-) injector consisting of a cesium enhanced RF-driven ion source and a 2-lens electrostatic low-energy beam transport (LEBT) system supports the spallation neutron source 1 MW beam operation with ∼38 mA beam current in the linac at 60 Hz with a pulse length of up to ∼1.0 ms. In this work, two important issues associated with the low-energy beam transport are discussed: (1) inconsistent dependence of the post-radio frequency quadrupole accelerator beam current on the ion source tilt angle and (2) high power beam losses on the LEBT electrodes under some off-nominal conditions compromising their reliability.

Investigation of the SERS Spectra of Hydroquinone Molecule Adsorbed on Titanium Dioxide

NASA Astrophysics Data System (ADS)

Polubotko, A. M.; Chelibanov, V. P.

2018-01-01

The paper analyzes the SERS spectrum of hydroquinone adsorbed on nanoparticles of titanium dioxide (TiO2). It is seen that the enhancement is stronger for a larger mean size of nanoparticles that is in agreement with an electrostatic approximation. In addition, it is found that there are the lines, which are forbidden in usual Raman spectra. There is also an enhancement caused both by the normal and tangential components of the electric field. This result is in agreement with the theory of SERS on semiconductor and dielectric substrates. The discovery of the forbidden lines indicates on the sufficiently large role of the strong quadrupole light-molecule interaction in such a system.

Chaotic transport and damping from θ-ruffled separatrices.

PubMed

Kabantsev, A A; Dubin, Daniel H E; Driscoll, C F; Tsidulko, Yu A

2010-11-12

Variations in magnetic or electrostatic confinement fields give rise to trapping separatrices, and neoclassical transport theory analyzes effects from collision-induced separatrix crossings. Experiments on pure electron plasmas now quantitatively characterize a broad range of transport and wave damping effects due to "chaotic" separatrix crossings, which occur due to equilibrium plasma rotation across θ-ruffled separatrices, and due to wave-induced separatrix fluctuations.

Polarization-mediated Debye-screening of surface potential fluctuations in dual-channel AlN/GaN high electron mobility transistors

NASA Astrophysics Data System (ADS)

Deen, David A.; Miller, Ross A.; Osinsky, Andrei V.; Downey, Brian P.; Storm, David F.; Meyer, David J.; Scott Katzer, D.; Nepal, Neeraj

2016-12-01

A dual-channel AlN/GaN/AlN/GaN high electron mobility transistor (HEMT) architecture is proposed, simulated, and demonstrated that suppresses gate lag due to surface-originated trapped charge. Dual two-dimensional electron gas (2DEG) channels are utilized such that the top 2DEG serves as an equipotential that screens potential fluctuations resulting from surface trapped charge. The bottom channel serves as the transistor's modulated channel. Two device modeling approaches have been performed as a means to guide the device design and to elucidate the relationship between the design and performance metrics. The modeling efforts include a self-consistent Poisson-Schrodinger solution for electrostatic simulation as well as hydrodynamic three-dimensional device modeling for three-dimensional electrostatics, steady-state, and transient simulations. Experimental results validated the HEMT design whereby homo-epitaxial growth on free-standing GaN substrates and fabrication of the same-wafer dual-channel and recessed-gate AlN/GaN HEMTs have been demonstrated. Notable pulsed-gate performance has been achieved by the fabricated HEMTs through a gate lag ratio of 0.86 with minimal drain current collapse while maintaining high levels of dc and rf performance.

Nanowell-Trapped Charged Ligand-Bearing Nanoparticle Surfaces – A Novel Method of Enhancing Flow-Resistant Cell Adhesion

PubMed Central

Tran, Phat L.; Gamboa, Jessica R.; McCracken, Katherine E.; Riley, Mark R.

2014-01-01

Assuring cell adhesion to an underlying biomaterial surface is vital in implant device design and tissue engineering, particularly under circumstances where cells are subjected to potential detachment from overriding fluid flow. Cell-substrate adhesion is a highly regulated process involving the interplay of mechanical properties, surface topographic features, electrostatic charge, and biochemical mechanisms. At the nanoscale level the physical properties of the underlying substrate are of particular importance in cell adhesion. Conventionally, natural, pro-adhesive, and often thrombogenic, protein biomaterials are frequently utilized to facilitate adhesion. In the present study nanofabrication techniques are utilized to enhance the biological functionality of a synthetic polymer surface, polymethymethacrylate, with respect to cell adhesion. Specifically we examine the effect on cell adhesion of combining: 1. optimized surface texturing, 2. electrostatic charge and 3. cell adhesive ligands, uniquely assembled on the substrata surface, as an ensemble of nanoparticles trapped in nanowells. Our results reveal that the ensemble strategy leads to enhanced, more than simply additive, endothelial cell adhesion under both static and flow conditions. This strategy may be of particular utility for enhancing flow-resistant endothelialization of blood-contacting surfaces of cardiovascular devices subjected to flow-mediated shear. PMID:23225491

Orthogonal Injection Ion Funnel Interface Providing Enhanced Performance for Selected Reaction Monitoring-Triple Quadrupole Mass Spectrometry

PubMed Central

Chen, Tsung-Chi; Fillmore, Thomas L.; Prost, Spencer A.; Moore, Ronald J.; Ibrahim, Yehia M.; Smith, Richard D.

2016-01-01

The electrodynamic ion funnel facilitates efficient focusing and transfer of charged particles in the higher-pressure regions (e.g., ion source interfaces) of mass spectrometers, thus providing increased sensitivity. An “off-axis” ion funnel design has been developed to reduce the source contamination and interferences from, e.g. ESI droplet residue and other poorly focused neutral or charged particles with very high mass-to-charge ratios. In this study, a dual ion funnel interface consisting of an orthogonal higher pressure electrodynamic ion funnel (HPIF) and an ion funnel trap combined with a triple quadrupole mass spectrometer was developed and characterized. An orthogonal ion injection inlet and a repeller plate electrode was used to direct ions to an ion funnel HPIF at a pressure of 9–10 Torr. Key factors for the HPIF performance characterized included the effects of RF amplitude, the DC gradient, and operating pressure. Compared to the triple quadrupole standard interface more than 4-fold improvement in the limit of detection for the direct quantitative MS analysis of low abundance peptides was observed. The sensitivity enhancement in liquid chromatography selected reaction monitoring (LC-SRM) analyses of low-abundance peptides spiked into a highly complex mixture was also compared with that obtained using both a commercial S-lens interface and an in-line dual-ion funnel interface. PMID:26107611

Identification of the 1s2s2p 4P5/2-->1s22s 2S1/2 magnetic quadrupole inner-shell satellite line in the Ar16+ K-shell x-ray spectrum

NASA Astrophysics Data System (ADS)

Beiersdorfer, P.; Bitter, M.; Hey, D.; Reed, K. J.

2002-09-01

We have identified the dipole-forbidden 1s2s2p 4P5/2-->1s22s 2S1/2 transition in lithiumlike Ar15+ in high-resolution K-shell x-ray emission spectra recorded at the Livermore EBIT-II electron-beam ion trap and the Princeton National Spherical Tokamak Experiment. Unlike other Ar15+ satellite lines, which can be excited by dielectronic recombination, the line is exclusively excited by electron-impact excitation. Its predicted radiative rate is comparable to that of the well-known 1s2p 3P1-->1s2 1S0 magnetic quadrupole transition in heliumlike Ar16+. As a result, it can also only be observed in low-density plasma. We present calculations of the electron-impact excitation cross sections of the innershell excited Ar15+ satellite lines, including the magnetic sublevels needed for calculating the linear line polarization. We compare these calculations to the relative magnitudes of the observed 1s2s2p-->1s22s transitions and find good agreement, confirming the identification of the lithiumlike 1s2s2p 4P5/2-->1s22s 2S1/2 magnetic quadrupole line.

The NSCL electron beam ion trap for the reacceleration of rare isotopes coming to life: first extraction tests with a high-current electron gun.

PubMed

Schwarz, S; Bollen, G; Johnson, M; Kester, O; Kostin, M; Ottarson, J; Portillo, M; Wilson, C; López-Urrutia, J R Crespo; Dilling, J

2010-02-01

NSCL is currently constructing the ReA3 reaccelerator, which will accelerate rare isotopes obtained from gas stopping of fast-fragment beams to energies of up to 3 MeV/u for uranium and higher for lighter ions. A high-current charge breeder, based on an electron beam ion trap (EBIT), has been chosen as the first step in the acceleration process, as it has the potential to efficiently produce highly charged ions in a single charge state. These ions are fed into a compact linear accelerator consisting of a radio frequency quadrupole structure and superconducting cavities. The NSCL EBIT has been fully designed with most of the parts constructed. The design concept of the EBIT and results from initial commissioning tests of the electron gun and collector with a temporary 0.4 T magnet are presented.

Excitation of ultrasharp trapped-mode resonances in mirror-symmetric metamaterials

NASA Astrophysics Data System (ADS)

Yang, Shengyan; Liu, Zhe; Xia, Xiaoxiang; E, Yiwen; Tang, Chengchun; Wang, Yujin; Li, Junjie; Wang, Li; Gu, Changzhi

2016-06-01

We experimentally demonstrate a metamaterial structure composed of two mirror-symmetric joint split ring resonators (JSRRs) that support extremely sharp trapped-mode resonance with a large modulation depth in the terahertz region. Contrary to the regular mirror-arranged SRR arrays in which both the subradiant inductive-capacitive (LC) resonance and quadrupole-mode resonance can be excited, our designed structure features a metallic microstrip bridging the adjacent SRRs, which leads to the emergence of an otherwise inaccessible ultrahigh-quality-factor resonance. The ultrasharp resonance occurs near the Wood-Rayleigh anomaly frequency, and the underlying mechanism can be attributed to the strong coupling between the in-plane propagating collective lattice surface mode originating from the array periodicity and localized surface plasmon resonance in mirror-symmetric coupled JSRRs, which dramatically reduces radiative damping. The ultrasharp resonance shows great potential for multifunctional applications such as plasmonic switching, low-power nonlinear processing, and chemical and biological sensing.

Effect of protonation and deprotonation on the gas-phase reactivity of fluorinated 1,2,4-triazines.

PubMed

Giorgi, Gianluca; Palumbo Piccionello, Antonio; Pace, Andrea; Buscemi, Silvestre

2008-05-01

Positive and negative electrospray mass spectrometry (MS), in-time and in-space MS(n) experiments, high-resolution and accurate mass measurements obtained with an Orbitrap, together with density functional theory calculations have been used to study the gas-phase ion chemistry of a series of fluorinated 1,2,4-triazines. As a result of low-energy collision-induced dissociations, occurring in an ion trap and in a triple quadrupole, their protonated and deprotonated molecules show interesting features depending on the nature and structure of the precursor ions. The occurrence of elimination/hydration reactions produced by positive ions in the ion trap is noteworthy. Decompositions of deprotonated molecules, initiated by elimination of a hydroxyl radical from [M-H](-), are dominated by radical anions. Theoretical calculations have allowed us to obtain information on atom sites involved in the protonation and deprotonation reactions.

Electrostatic odd symmetric eigenmode in inhomogeneous Bernstein-Greene-Kruskal equilibrium

NASA Astrophysics Data System (ADS)

Woo, M.-H.; Dokgo, K.; Yoon, Peter H.; Lee, D.-Y.; Choi, Cheong R.

2018-04-01

A self-consistent electrostatic odd-symmetric eigenmode (OEM) is analytically found in a solitary type Bernstein-Greene-Kruskal (BGK) equilibrium. The frequency of the OEM is order of the electron bounce frequency and it is spatially odd-symmetric with the scale comparable to that of the solitary BGK equilibrium structure. Such an OEM is consistent with the recent observation from particle-in-cell simulation of the solitary wave [Dokgo et al., Phys. Plasmas 23, 092107 (2016)]. The mode can be driven unstable by trapped electrons within the hole structure of the solitary wave. Such a low frequency, pure electron mode, which may possibly interact resonantly with the ion acoustic mode, provides a possible damping mechanism of the BGK equilibrium.

Obliquely propagating ion acoustic solitary structures in the presence of quantized magnetic field

NASA Astrophysics Data System (ADS)

Iqbal Shaukat, Muzzamal

2017-10-01

The effect of linear and nonlinear propagation of electrostatic waves have been studied in degenerate magnetoplasma taking into account the effect of electron trapping and finite temperature with quantizing magnetic field. The formation of solitary structures has been investigated by employing the small amplitude approximation both for fully and partially degenerate quantum plasma. It is observed that the inclusion of quantizing magnetic field significantly affects the propagation characteristics of the solitary wave. Importantly, the Zakharov-Kuznetsov equation under consideration has been found to allow the formation of compressive solitary structures only. The present investigation may be beneficial to understand the propagation of nonlinear electrostatic structures in dense astrophysical environments such as those found in white dwarfs.

Self focusing in a spatially modulated electrostatic field particle accelerator

NASA Astrophysics Data System (ADS)

Russman, F.; Marini, S.; Peter, E.; de Oliveira, G. I.; Rizzato, F. B.

2018-02-01

In the present analysis, we study the action of a three-dimensional (3D) modulated electrostatic wave over a charged particle. Meanwhile, the particle's velocity is smaller than the phase-velocity of the carrier, and the particle could be reflected by the potential or could pass through the potential with no significant change in the longitudinal velocity—and its dynamics could be described by a ponderomotive approximation. Otherwise, the particle is trapped by the potential and it is accelerated towards the speed of light, independently of the initial particle's phase—in this case, the ponderomotive approximation is no longer valid. During the acceleration process, numerical simulations show the particle is focused, simultaneously. These results suggest the accelerator proposed here is promising.

A Generic Multiple Reaction Monitoring Based Approach for Plant Flavonoids Profiling Using a Triple Quadrupole Linear Ion Trap Mass Spectrometry

NASA Astrophysics Data System (ADS)

Yan, Zhixiang; Lin, Ge; Ye, Yang; Wang, Yitao; Yan, Ru

2014-06-01

Flavonoids are one of the largest classes of plant secondary metabolites serving a variety of functions in plants and associating with a number of health benefits for humans. Typically, they are co-identified with many other secondary metabolites using untargeted metabolomics. The limited data quality of untargeted workflow calls for a shift from the breadth-first to the depth-first screening strategy when a specific biosynthetic pathway is focused on. Here we introduce a generic multiple reaction monitoring (MRM)-based approach for flavonoids profiling in plants using a hybrid triple quadrupole linear ion trap (QTrap) mass spectrometer. The approach includes four steps: (1) preliminary profiling of major aglycones by multiple ion monitoring triggered enhanced product ion scan (MIM-EPI); (2) glycones profiling by precursor ion triggered EPI scan (PI-EPI) of major aglycones; (3) comprehensive aglycones profiling by combining MIM-EPI and neutral loss triggered EPI scan (NL-EPI) of major glycone; (4) in-depth flavonoids profiling by MRM-EPI with elaborated MRM transitions. Particularly, incorporation of the NH3 loss and sugar elimination proved to be very informative and confirmative for flavonoids screening. This approach was applied for profiling flavonoids in Astragali radix ( Huangqi), a famous herb widely used for medicinal and nutritional purposes in China. In total, 421 flavonoids were tentatively characterized, among which less than 40 have been previously reported in this medicinal plant. This MRM-based approach provides versatility and sensitivity that required for flavonoids profiling in plants and serves as a useful tool for plant metabolomics.

Fragmentation pathways of 2-substituted pyrrole derivatives using electrospray ionization ion trap and electrospray ionization quadrupole time-of-flight mass spectrometry.

PubMed

Liang, Xianrui; Guo, Zili; Yu, Chuanming

2013-10-30

Pyrrole derivatives are of considerable importance and are present in a wide range of natural products and used extensively in drug discovery. Fragmentation pathway studies play an important role in the structural identification of pyrrole derivatives. As a part of our ongoing work on heterocycles, fragmentation pathways of 2-substituted pyrrole derivatives were investigated by mass spectrometry (MS). Twelve pyrrole derivatives were synthesized and analyzed. Low-resolution fragmentation ions of all the compounds were generated by ion trap mass spectrometry (ITMS(n) ) with an electrospray ionization (ESI) source in positive mode. Hybrid quadrupole time-of-flight mass spectrometry (QTOFMS) was used to determine the elemental compositions of the resultant product ions. The side-chain substituents at the 2-position influence the fragmentation pathways. Typical losses of H2 O, aldehydes and pyrrole moieties from the [M + H](+) ion are observed for the compounds with side chains bearing aromatic groups at the 2-position of the pyrrole. However, losses of H2 O, alcohols and C3 H6 are the main cleavage pathways for compounds 6 and 12 with nonphenyl-substituted side chains at the 2-position. Typical fragmentation mechanisms of 2-substituted pyrrole derivatives are proposed and elucidated based on the observations of ITMS(n) and QTOFMS spectra. The results showed that the fragmentation pathways were remarkably influenced by the side-chain substituents at the 2-position of pyrrole. This investigation should have value in the structural identification of this series of molecules or compounds with similar structures. Copyright © 2013 John Wiley & Sons, Ltd.

A targeted strategy to identify untargeted metabolites from in vitro to in vivo: Rapid and sensitive metabolites profiling of licorice in rats using ultra-high performance liquid chromatography coupled with triple quadrupole-linear ion trap mass spectrometry.

PubMed

Huang, Meilin; Cheng, Zhongzhe; Wang, Lu; Feng, Yulin; Huang, Jiangeng; Du, Zhifeng; Jiang, Hongliang

2018-05-29

It is challenging to conduct in vivo metabolic study for traditional Chinese medicines (TCMs) because of complex components, unpredictable metabolic pathways and low metabolite concentrations. Herein, we proposed a sensitive strategy to characterize TCM metabolites in vivo at an orally clinical dose using ultra-high performance liquid chromatography-triple quadrupole-linear ion trap mass spectrometry (UHPLC-QTRAP-MS). Firstly, the metabolism of individual compounds in rat liver microsomes was studied to obtain the metabolic pathways and fragmentation patterns. The untargeted metabolites in vitro were detected by multiple ion monitoring-enhanced product ion (EPI) and neutral loss-EPI scans. Subsequently, a sensitive multiple reaction monitoring-EPI method was developed according to the in vitro results and predicted metabolites to profile the in vivo metabolites. Licorice as a model herb was used to evaluate and validate our strategy. A clinical dose of licorice water extract was orally administered to rats, then a total of 45 metabolites in urine, 21 metabolites in feces and 35 metabolites in plasma were detected. Among them, 18 minor metabolites have not been reported previously and 6 minor metabolites were first detected in vivo. Several isomeric metabolites were well separated and differentiated in our strategy. These results suggested that this new strategy could be widely used for the detection and characterization of in vivo metabolites of TCMs. Copyright © 2018. Published by Elsevier B.V.

Precursor and Neutral Loss Scans in an RF Scanning Linear Quadrupole Ion Trap

NASA Astrophysics Data System (ADS)

Snyder, Dalton T.; Szalwinski, Lucas J.; Schrader, Robert L.; Pirro, Valentina; Hilger, Ryan; Cooks, R. Graham

2018-03-01

Methodology for performing precursor and neutral loss scans in an RF scanning linear quadrupole ion trap is described and compared to the unconventional ac frequency scan technique. In the RF scanning variant, precursor ions are mass selectively excited by a fixed frequency resonance excitation signal at low Mathieu q while the RF amplitude is ramped linearly to pass ions through the point of excitation such that the excited ion's m/z varies linearly with time. Ironically, a nonlinear ac frequency scan is still required for ejection of the product ions since their frequencies vary nonlinearly with the linearly varying RF amplitude. In the case of the precursor scan, the ejection frequency must be scanned so that it is fixed on a product ion m/z throughout the RF scan, whereas in the neutral loss scan, it must be scanned to maintain a constant mass offset from the excited precursor ions. Both simultaneous and sequential permutation scans are possible; only the former are demonstrated here. The scans described are performed on a variety of samples using different ionization sources: protonated amphetamine ions generated by nanoelectrospray ionization (nESI), explosives ionized by low-temperature plasma (LTP), and chemical warfare agent simulants sampled from a surface and analyzed with swab touch spray (TS). We lastly conclude that the ac frequency scan variant of these MS/MS scans is preferred due to electronic simplicity. In an accompanying manuscript, we thus describe the implementation of orthogonal double resonance precursor and neutral loss scans on the Mini 12 using constant RF voltage. [Figure not available: see fulltext.

Assignment of the Stereochemistry and Anomeric Configuration of Sugars within Oligosaccharides Via Overlapping Disaccharide Ladders Using MSn

NASA Astrophysics Data System (ADS)

Konda, Chiharu; Londry, Frank A.; Bendiak, Brad; Xia, Yu

2014-08-01

A systematic approach is described that can pinpoint the stereo-structures (sugar identity, anomeric configuration, and location) of individual sugar units within linear oligosaccharides. Using a highly modified mass spectrometer, dissociation of linear oligosaccharides in the gas phase was optimized along multiple-stage tandem dissociation pathways (MSn, n = 4 or 5). The instrument was a hybrid triple quadrupole/linear ion trap mass spectrometer capable of high-efficiency bidirectional ion transfer between quadrupole arrays. Different types of collision-induced dissociation (CID), either on-resonance ion trap or beam-type CID could be utilized at any given stage of dissociation, enabling either glycosidic bond cleavages or cross-ring cleavages to be maximized when wanted. The approach first involves optimizing the isolation of disaccharide units as an ordered set of overlapping substructures via glycosidic bond cleavages during early stages of MSn, with explicit intent to minimize cross-ring cleavages. Subsequently, cross-ring cleavages were optimized for individual disaccharides to yield key diagnostic product ions ( m/ z 221). Finally, fingerprint patterns that establish stereochemistry and anomeric configuration were obtained from the diagnostic ions via CID. Model linear oligosaccharides were derivatized at the reducing end, allowing overlapping ladders of disaccharides to be isolated from MSn. High confidence stereo-structural determination was achieved by matching MSn CID of the diagnostic ions to synthetic standards via a spectral matching algorithm. Using this MSn ( n = 4 or 5) approach, the stereo-structures, anomeric configurations, and locations of three individual sugar units within two pentasaccharides were successfully determined.

Studies on equatorial shock formation during plasmaspheric refilling

NASA Technical Reports Server (NTRS)

Singh, N.

1994-01-01

Investigations based on small-scale simulations of microprocesses occurring when a magnetic flux tube refills with a cold plasma are summarized. Results of these investigations are reported in the following attached papers: (1) 'Numerical Simulation of Filling a Magnetic Flux Tube with a Cold Plasma: The Role of Ion Beam-Driven Instabilities'; and (2) 'Numerical Simulation of Filling a Magnetic Flux Tube with a Cold Plasma: Effects of Magnetically Trapped Hot Plasma'. Other papers included are: 'Interaction of Field-Aligned Cold Plasma Flows with an Equatorially-Trapped Hot Plasma: Electrostatic Shock Formation'; and 'Comparison of Hydrodynamic and Semikinetic Treatments for a Plasma Flow along Closed Field Lines'. A proposal for further research is included.

Intrinsic Charge Trapping Observed as Surface Potential Variations in diF-TES-ADT Films.

PubMed

Hoffman, Benjamin C; McAfee, Terry; Conrad, Brad R; Loth, Marsha A; Anthony, John E; Ade, Harald W; Dougherty, Daniel B

2016-08-24

Spatial variations in surface potential are measured with Kelvin probe force microscopy for thin films of 2,8-difluoro-5,11-bis(triethylsilylethynyl)anthradithiophenes (diF-TES-ADT) grown on SiO2 and silane-treated SiO2 substrates by organic molecular beam deposition. The variations are observed both between and within grains of the polycrystalline organic film and are quantitatively different than electrostatic variations on the substrate surfaces. The skewness of surface potential distributions is larger on SiO2 than on HMDS-treated substrates. This observation is attributed to the impact of substrate functionalization on minimizing intrinsic crystallographic defects in the organic film that can trap charge.

Modeling of long range frequency sweeping for energetic particle modes

NASA Astrophysics Data System (ADS)

Nyqvist, R. M.; Breizman, B. N.

2013-04-01

Long range frequency sweeping events are simulated numerically within a one-dimensional, electrostatic bump-on-tail model with fast particle sources and collisions. The numerical solution accounts for fast particle trapping and detrapping in an evolving wave field with a fixed wavelength, and it includes three distinct collisions operators: Drag (dynamical friction on the background electrons), Krook-type collisions, and velocity space diffusion. The effects of particle trapping and diffusion on the evolution of holes and clumps are investigated, and the occurrence of non-monotonic (hooked) frequency sweeping and asymptotically steady holes is discussed. The presented solution constitutes a step towards predictive modeling of frequency sweeping events in more realistic geometries.

Tunable Mobility in Double-Gated MoTe2 Field-Effect Transistor: Effect of Coulomb Screening and Trap Sites.

PubMed

Ji, Hyunjin; Joo, Min-Kyu; Yi, Hojoon; Choi, Homin; Gul, Hamza Zad; Ghimire, Mohan Kumar; Lim, Seong Chu

2017-08-30

There is a general consensus that the carrier mobility in a field-effect transistor (FET) made of semiconducting transition-metal dichalcogenides (s-TMDs) is severely degraded by the trapping/detrapping and Coulomb scattering of carriers by ionic charges in the gate oxides. Using a double-gated (DG) MoTe 2 FET, we modulated and enhanced the carrier mobility by adjusting the top- and bottom-gate biases. The relevant mechanism for mobility tuning in this device was explored using static DC and low-frequency (LF) noise characterizations. In the investigations, LF-noise analysis revealed that for a strong back-gate bias the Coulomb scattering of carriers by ionized traps in the gate dielectrics is strongly screened by accumulation charges. This significantly reduces the electrostatic scattering of channel carriers by the interface trap sites, resulting in increased mobility. The reduction of the number of effective trap sites also depends on the gate bias, implying that owing to the gate bias, the carriers are shifted inside the channel. Thus, the number of active trap sites decreases as the carriers are repelled from the interface by the gate bias. The gate-controlled Coulomb-scattering parameter and the trap-site density provide new handles for improving the carrier mobility in TMDs, in a fundamentally different way from dielectric screening observed in previous studies.

Ground-Based High-Power Microwave Decoy Discrimination System.

DTIC Science & Technology

1987-12-23

understanding of plasma instabilities, self-induced magnetic effects , space - charge considerations, production of ion currents, etc. 3.3.4 Cross-Field...breakdown, due to small potential differences. Interaction volumes can therefore be large, avoiding breakdown and space - charge effects (at the price...the interference of the incident and reflected wave, and by the electrostatic forces of the surface (positive) and space charge (negative) trapped in

Metabolic characterization of (±)-praeruptorin A in vitro and in vivo by high performance liquid chromatography coupled with hybrid triple quadrupole-linear ion trap mass spectrometry and time-of-flight mass spectrometry.

PubMed

Song, Yue-Lin; Jing, Wang-Hui; Yan, Ru; Wang, Yi-Tao

2014-03-01

(±)-Praeruptorin A (PA) is the major bioactive component in Peucedani Radix (Chinese name: Qian-hu), and exhibits dramatically anti-hypertensive effect typically through acting as a calcium channel blocker. The current study aims on the characterization of the metabolic profiles of PA in vitro and in vivo using high performance liquid chromatography (HPLC) coupled with hybrid triple quadrupole-linear ion trap mass spectrometry (Q-trap-MS) and time-of-flight mass spectrometry (TOF-MS). A total of 12 phase I metabolites (M1-12) in rat liver microsomes (RLMs), 9 phase I metabolites (M1-3, M5-6 and M9-12) in human liver microsomes (HLMs), 2 hydrolyzed products in rat plasma (M11 and M12), none metabolite in human plasma, none metabolite in rat intestinal bacteria, 7 metabolites (M1, M4-7, M13 and M15) in PA-treated rat urine and 6 metabolites (M1, M4-7 and M15) in PA-treated feces were detected and tentatively identified using predictive multiple reaction monitoring-information dependent acquisition-enhanced product ion (predictive MRM-IDA-EPI) mode in combination with enhanced mass spectrum-information dependent acquisition-enhanced product ion (EMS-IDA-EPI) mode in the mass spectrometer domain, respectively, while TOF-MS was adopted to confirm the identification. Further, 2 glucuronidated metabolites (M13-14) in RLMs and none metabolite in HLMs of cis-khellactone (CKL), which was the main actual form of PA in vivo, were generated, while its sulfated product was not observed in either rat liver S9 fractions (RS9) or human liver S9 fractions (HS9). Oxidation, hydrolysis, intra-molecular acyl migration and glucuronidation were demonstrated to be the predominant metabolic types for PA in vitro and in vivo. Judging from the decrement of peak areas, PA was metabolized quickly in both RLMs and HLMs, indicating extensively hepatic first-pass elimination. Taken together, the metabolic fates of (±)-praeruptorin A in vitro and in vivo were elucidated in current study, and Q-trap-MS coupled with LightSight™ software can be adopted as a useful tool for quick detection and identification of metabolites in complex biological matrices. Crown Copyright © 2013. Published by Elsevier B.V. All rights reserved.

Non-dipolar magnetic field models and patterns of radio emission: Uranus and Neptune compared

NASA Technical Reports Server (NTRS)

Evans, D. R.

1994-01-01

The magnetic field geometries of Uranus and Neptune are superficially similar, and are similarly unlike those of other planets: the field strengths are similar, and they contain extraordinarily large non-dipolar components. As a corollary, the best dipolar field models of each of the two planets comprises a dipole that is considerably offset from the planetary center and tilted away from the rotational axis. However, in other respects the best field models of the two planets are quite different. Uranus has a quadrupole model in which all the terms are well determined and in which none of the higher order terms is determined. To represent the magnetometer data acquired during Voyager's Neptune encounter requires a model of order 8 (instead of Uranus' order 2), yet many of the coefficients are poorly determined. A second model, an octupole model comprising the terms up to order three of the order 8 model, has been suggested by the magnetometer team as being useful; its use, however, is limited only to the region outside of about 2R(exp N), whereas planetary radio emissions have their sources well inside this surface. Computer code has been written that permits an analysis of the detailed motion of low energy charged particles moving in general planetary magnetic fields. At Uranus, this code reveals the existence of an isolated region of the inner magnetosphere above the day side in which particles may be trapped, separate from the more general magnetospheric trapping. An examination of the so-call ordinary mode uranian radio emissions leads us to believe that these emissions are in fact extraordinary mode emissions coming from particles trapped in this isolated region. A similar attempt to discover trapping regions at Neptune has proved, unfortunately, to be impossible. This arises from three factors: (1) the computation needed to track particles in an eighth order field is more than an order of magnitude greater than that needed to perform a similar calculation in a quadrupole field, and is beyond the capacity of workstation-class computers; (2) the octupole field model is known to be in error by too large an ammount for it, or any similarly truncated version of the eighth order model, to produce trustworthy results; (3) the eighth order model can, in effect, be infinitely varied without affecting the field strength along the spacecraft trajectory.

Utility of Higher Harmonics in Electrospray Ionization Fourier Transform Electrostatic Linear Ion Trap Mass Spectrometry.

PubMed

Dziekonski, Eric T; Johnson, Joshua T; McLuckey, Scott A

2017-04-18

Mass resolution (M/ΔM fwhm) is observed to linearly increase with harmonic order in a Fourier transform electrostatic linear ion trap (ELIT) mass spectrometer. This behavior was predicted by Grosshans and Marshall for frequency-multiple detection in a Fourier transform ion cyclotron resonance mass spectrometer only for situations when the prominent mechanism for signal decay is ion ejection from the trap. As the analyzer pressure in our ELIT chamber is relatively high, such that collisional scattering and collision-induced dissociation are expected to underlie much of the ion loss, we sought to explore the relationship between harmonic order and mass resolution. Mass resolutions of 36 900 (fundamental), 75 850 (2nd harmonic), and 108 200 (3rd harmonic) were obtained for GdO + (avg. m/z 173.919) with a transient length of 300 ms. To demonstrate that the mass resolution was truly increasing with harmonic order, the unresolved isotopes at the fundamental distribution of cytochrome c +8 (m/z ∼ 1549) were nearly baseline, resolved at the third harmonic (mass resolution ≈ 23 000) with a transient length of only 200 ms. This experiment demonstrates that, when the ion density is sufficiently low, ions with frequency differences of less than 4 Hz remain uncoalesced. Higher harmonics can be used to increase the effective mass resolution for a fixed transient length and thereby may enable the resolution of closely spaced masses, determination of a protein ion's charge state, and study of the onset of peak coalescence when the resolution at the fundamental frequency is insufficient.

Bloch equations applied to ion cyclotron resonance spectroscopy: Broadband interconversion between magnetron and cyclotron motion for ion axialization

NASA Astrophysics Data System (ADS)

Guan, Shenheng; Marshall, Alan G.

1993-03-01

Conversion of magnetron motion to cyclotron motion combined with collisional cooling of the cyclotron motion provides an efficient way to reduce the kinetic energy of trapped heavy ions and to reduce their magnetron radii in an ion cyclotron resonance (ICR) ion trap. The coupling of magnetron and cyclotron motion can be realized by azimuthal quadrupolar excitation. Theoretical understanding of the coupling process has until now been based on resonant single-frequency quadrupolar excitation at the combination frequency ωc=ω++ω-, in which ωc is the ion cyclotron orbital frequency in the absence of electrostatic field; and ω+ and ω- are the reduced cyclotron and magnetron frequencies in the presence of an electrostatic trapping potential. In this work, we prove that the magnetron/cyclotron coupling is closely related to a two energy level system whose behavior is described by the well-known Bloch equations. By means of a special transformation, the equations of motion for the coupling may be expressed in Bloch-type equations in spherical coordinates. We show that magnetron-to-cyclotron conversion by single-frequency quadrupolar excitation in ICR is analogous to a 180° pulse in nuclear magnetic resonance (NMR). We go on to show that simultaneous magnetron-to-cyclotron conversion of ions over a finite mass-to-charge ratio range may be produced by quadrupolar frequency-sweep excitation, by analogy to adiabatic rapid passage in magnetic resonance. Axialization by broadband magnetron-to-cyclotron conversion followed by cyclotron cooling is successfully demonstrated experimentally for a crude oil distillate sample.

The HIBEAM Manual

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

Fawley, William M.

2000-02-01

HIBEAM is a 2 1/2D particle-in-cell (PIC) simulation code developed in the late 1990's in the Heavy-Ion Fusion research program at Lawrence Berkeley National Laboratory. The major purpose of HIBEAM is to simulate the transverse (i.e., X-Y) dynamics of a space-charge-dominated, non-relativistic heavy-ion beam being transported in a static accelerator focusing lattice. HIBEAM has been used to study beam combining systems, effective dynamic apertures in electrostatic quadrupole lattices, and emittance growth due to transverse misalignments. At present, HIBEAM runs on the CRAY vector machines (C90 and J90's) at NERSC, although it would be relatively simple to port the code tomore » UNIX workstations so long as IMSL math routines were available.« less

Experimental and Simulated Characterization of a Beam Shaping Assembly for Accelerator- Based Boron Neutron Capture Therapy (AB-BNCT)

NASA Astrophysics Data System (ADS)

Burlon, Alejandro A.; Girola, Santiago; Valda, Alejandro A.; Minsky, Daniel M.; Kreiner, Andrés J.

2010-08-01

In the frame of the construction of a Tandem Electrostatic Quadrupole Accelerator facility devoted to the Accelerator-Based Boron Neutron Capture Therapy, a Beam Shaping Assembly has been characterized by means of Monte-Carlo simulations and measurements. The neutrons were generated via the 7Li(p, n)7Be reaction by irradiating a thick LiF target with a 2.3 MeV proton beam delivered by the TANDAR accelerator at CNEA. The emerging neutron flux was measured by means of activation foils while the beam quality and directionality was evaluated by means of Monte Carlo simulations. The parameters show compliance with those suggested by IAEA. Finally, an improvement adding a beam collimator has been evaluated.

Compact High-Current Heavy-Ion Injector

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

Westenskow, G.A.; Grote, D.P.; Kwan, J.W.

2005-10-05

To provide a compact high-brightness heavy-ion beam source for Heavy Ion Fusion (HIF), we have been experimenting with merging multi-beamlets in an injector which uses an RF plasma source. An array of converging beamlets was used to produce a beam with the envelope radius, convergence, and ellipticity matched to an electrostatic quadrupole (ESQ) channel. Experimental results were in good quantitative agreement with simulation and have demonstrated the feasibility of this concept. The size of a driver-scale injector system using this approach will be several times smaller than one designed using traditional single large-aperture beams. The success of this experiment hasmore » possible significant economical and technical impacts on the architecture of HIF drivers.« less

Compact High-Current Heavy-Ion Injector

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

Westenskow, G A; Grote, D P; Kwan, J W

2006-04-13

To provide a compact high-brightness heavy-ion beam source for Heavy Ion Fusion (HIF), we have been experimenting with merging multi-beamlets in an injector which uses an RF plasma source. An array of converging beamlets was use to produce a beam with the envelope radius, convergence, and ellipticity matched to an electrostatic quadrupole (ESQ) channel. Experimental results were in good quantitative agreement with simulation and have demonstrated the feasibility of this concept. The size of a driver-scale injector system using this approach will be several times smaller than one designed using traditional single large-aperture beams. The success of this experiment hasmore » possible significant economical and technical impacts on the architecture of HIF drivers.« less

STM imaging ortho- and para-fluorothiophenol self-assembled monolayers on Au(111).

PubMed

Jiang, Peng; Deng, Ke; Fichou, Denis; Xie, Si-Shen; Nion, Aymeric; Wang, Chen

2009-05-05

Self-assembled monolayers (SAMs) of para- and ortho-fluorothiophenol (p- and o-FTP) spontaneously formed on Au(111) substrate have been contrasted through investigation by a scanning tunneling microscope (STM) at room temperature. High-resolution STM imaging reveals that p-FTP adopts a 6 x radical3R30 degrees molecule arrangement containing six molecules. Two different kinds of p-FTP molecule dimer line structures have been formed on Au(111) by intermolecular pi-pi stacking along 112 substrate directions, besides a single p-FTP molecule line. In contrast, o-FTP molecules self-assemble into a much looser wave-like SAM, which can be described as a 5 x 3 radical3R30 degrees structure containing two molecules. Periodic density functional theory (DFT) calculations for the two systems suggest that these kinds of FTP molecules preferentially take the asymmetrical positions between 3-fold face-centered cubic (fcc) hollow and bridge sites on Au(111), tilting from the substrate surface. Theoretical simulation gives apparent average tilted angles of 58 degrees and 68 degrees for p-FTP and o-FTP with respect to the surface normal, respectively. This simulation shows that o-FTP is more inclined to lie down toward the Au(111) surface compared to p-FTP. The difference between p-FTP and o-FTP SAM structures can be qualitatively understood in terms of the variation of intermolecular dipole-dipole orientation. This suggests that, besides well-known Au-S and pi-pi interactions, electrostatic interactions including dipole-dipole, quadrupole-quadrupole, and dipole-quadrupole interactions might also play an important role in influencing the SAM structures formed by aromatic thiols with a permanent dipole moment.

Achromatic beam transport of High Current Injector

NASA Astrophysics Data System (ADS)

Kumar, Sarvesh; Mandal, A.

2016-02-01

The high current injector (HCI) provides intense ion beams of high charge state using a high temperature superconducting ECR ion source. The ion beam is accelerated upto a final energy of 1.8 MeV/u due to an electrostatic potential, a radio frequency quadrupole (RFQ) and a drift tube linac (DTL). The ion beam has to be transported to superconducting LINAC which is around 50 m away from DTL. This section is termed as high energy beam transport section (HEBT) and is used to match the beam both in transverse and longitudinal phase space to the entrance of LINAC. The HEBT section is made up of four 90 deg. achromatic bends and interconnecting magnetic quadrupole triplets. Two RF bunchers have been used for longitudinal phase matching to the LINAC. The ion optical design of HEBT section has been simulated using different beam dynamics codes like TRACEWIN, GICOSY and TRACE 3D. The field computation code OPERA 3D has been utilized for hardware design of all the magnets. All the dipole and quadrupole magnets have been field mapped and their test results such as edge angles measurements, homogeneity and harmonic analysis etc. are reported. The whole design of HEBT section has been performed such that the most of the beam optical components share same hardware design and there is ample space for beam diagnostics as per geometry of the building. Many combination of achromatic bends have been simulated to transport the beam in HEBT section but finally the four 90 deg. achromatic bend configuration is found to be the best satisfying all the geometrical constraints with simplified beam tuning process in real time.

Effect of Trapped Ions on Shielding and Floating Potential of a Dust Grain in a Plasma

NASA Astrophysics Data System (ADS)

Lampe, Martin; Ganguli, Gurudas; Joyce, Glenn; Gavrishchaka, Valeriy

2001-10-01

The problem of electrostatic shielding around a small spherical collector immersed in plasma, and the related problem of electron and ion flow to the collector, date to the origins of plasma physics. Beginning with Mott-Smith and Langmuir (1926), calculations have typically neglected collisions, on the grounds that the mean free path is long compared to shielding length scales, i.e. the Debye length. However, investigators beginning with Bernstein and Rabinowitz (1959) have known that negative-energy trapped ions, created by occasional collisions, might be important. We present an analytic calculation of the density of trapped and untrapped ions, self-consistent with the potential. Under typical conditions for dust grains immersed in a discharge plasma, trapped ions dominate the shielding cloud in steady state, even in the limit of very long mean free path. As a result the shielded potential is different from the results of orbital motion limited theory. Collisions also greatly increase the ion current to the collector, thereby decreasing the floating potential and the grain charge by a factor as large as two to three.

Generation of forerunner electron beam during interaction of ion beam pulse with plasma

DOE PAGES

Hara, Kentaro; Kaganovich, Igor D.; Startsev, Edward A.

2018-01-01

The long-time evolution of the two-stream instability of a cold tenuous ion beam pulse propagating through the background plasma with density much higher than the ion beam density is investigated using a large-scale one-dimensional electrostatic kinetic simulation. The three stages of the instability are investigated in detail. After the initial linear growth and saturation by the electron trapping, a portion of the initially trapped electrons becomes detrapped and moves ahead of the ion beam pulse forming a forerunner electron beam, which causes a secondary two-stream instability that preheats the upstream plasma electrons. Consequently, the self-consistent nonlinear-driven turbulent state is setmore » up at the head of the ion beam pulse with the saturated plasma wave sustained by the influx of the cold electrons from upstream of the beam that lasts until the final stage when the beam ions become trapped by the plasma wave. Finally, the beam ion trapping leads to the nonlinear heating of the beam ions that eventually extinguishes the instability.« less

Geomagnetic Field Distortion by a Solar Stream as a Mechanism for the Production of Polar Aurora and Electrojets

NASA Technical Reports Server (NTRS)

Kern, J. W.

1961-01-01

This paper describes a mechanism for charge separation in the geomagnetically trapped radiation which may account for some observed phenomena associated with the polar aurora and the electrojet current systems. The following development is proposed: given that there exist eastward or westward longitudinal gradients in the geomagnetic field resulting from distortion of the geomagnetic field by solar streams, if the trapped radiation is adiabatic in character, radial drift separation of positive and negative charged particles must occur. It follows that, for bounded or irregular distributions of plasma number density in such an adiabatic - drift region, electric fields will arise. The origin of such electric fields will not arrest the drift separation of the charged particles, but will contribute to exponential growth of irregularities in the trapped plasma density. An adiabatic acceleration mechanism is described, which is based on incorporating the electrostatic energy of the particle in the energy function for the particle. Direct consequences of polarization of the geomagnetically trapped radiation will be the polar electrojet current systems and the polar aurora.

Generation of forerunner electron beam during interaction of ion beam pulse with plasma

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

Hara, Kentaro; Kaganovich, Igor D.; Startsev, Edward A.

The long-time evolution of the two-stream instability of a cold tenuous ion beam pulse propagating through the background plasma with density much higher than the ion beam density is investigated using a large-scale one-dimensional electrostatic kinetic simulation. The three stages of the instability are investigated in detail. After the initial linear growth and saturation by the electron trapping, a portion of the initially trapped electrons becomes detrapped and moves ahead of the ion beam pulse forming a forerunner electron beam, which causes a secondary two-stream instability that preheats the upstream plasma electrons. Consequently, the self-consistent nonlinear-driven turbulent state is setmore » up at the head of the ion beam pulse with the saturated plasma wave sustained by the influx of the cold electrons from upstream of the beam that lasts until the final stage when the beam ions become trapped by the plasma wave. Finally, the beam ion trapping leads to the nonlinear heating of the beam ions that eventually extinguishes the instability.« less

X-ray Spectroscopy of E2 and M3 Transitions in Ni-like W

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

Clementson, J; Beiersdorfer, P; Gu, M F

2009-11-09

The electric quadrupole (E2) and magnetic octupole (M3) ground state transitions in Ni-like W{sup 46+} have been measured using high-resolution crystal spectroscopy at the Livermore electron beam ion trap facility. The lines fall in the soft x-ray region near 7.93 {angstrom} and were originally observed as an unresolved feature in tokamak plasmas. Using flat ADP and quartz crystals the wavelengths, intensities, and polarizations of the two lines have been measured for various electron beam energies and compared to intensity and polarization calculations performed using the Flexible Atomic Code (FAC).

A scale-bridging modeling approach for anisotropic organic molecules at patterned semiconductor surfaces

NASA Astrophysics Data System (ADS)

Kleppmann, Nicola; Klapp, Sabine H. L.

2015-02-01

Hybrid systems consisting of organic molecules at inorganic semiconductor surfaces are gaining increasing importance as thin film devices for optoelectronics. The efficiency of such devices strongly depends on the collective behavior of the adsorbed molecules. In the present paper, we propose a novel, coarse-grained model addressing the condensed phases of a representative hybrid system, that is, para-sexiphenyl (6P) at zinc-oxide (ZnO). Within our model, intermolecular interactions are represented via a Gay-Berne potential (describing steric and van-der-Waals interactions) combined with the electrostatic potential between two linear quadrupoles. Similarly, the molecule-substrate interactions include a coupling between a linear molecular quadrupole to the electric field generated by the line charges characterizing ZnO(10-10). To validate our approach, we perform equilibrium Monte Carlo simulations, where the lateral positions are fixed to a 2D lattice, while the rotational degrees of freedom are continuous. We use these simulations to investigate orientational ordering in the condensed state. We reproduce various experimentally observed features such as the alignment of individual molecules with the line charges on the surface, the formation of a standing uniaxial phase with a herringbone structure, as well as the formation of a lying nematic phase.

Magnetic fields for transporting charged beams

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

Parzen, G.

1976-01-01

The transport of charged particle beams requires magnetic fields that must be shaped correctly and very accurately. During the last 20 years or so, many studies have been made, both analytically and through the use of computer programs, of various magnetic shapes that have proved to be useful. Many of the results for magnetic field shapes can be applied equally well to electric field shapes. A report is given which gathers together the results that have more general significance and would be useful in designing a configuration to produce a desired magnetic field shape. The field shapes studied include themore » fields in dipoles, quadrupoles, sextupoles, octupoles, septum magnets, combined-function magnets, and electrostatic septums. Where possible, empirical formulas are proposed, based on computer and analytical studies and on magnetic field measurements. These empirical formulas are often easier to use than analytical formulas and often include effects that are difficult to compute analytically. In addition, results given in the form of tables and graphs serve as illustrative examples. The field shapes studied include uniform fields produced by window-frame magnets, C-magnets, H-magnets, and cosine magnets; linear fields produced by various types of quadrupoles; quadratic and cubic fields produced by sextupoles and octupoles; combinations of uniform and linear fields; and septum fields with sharp boundaries.« less

Gas-phase ion chemistry and organic chemistry-the story of a hybrid six sector mass spectrometer--the "AutoSpec 6F".

PubMed

Gerbaux, Pascal; Lamote, Luc; Van Haverbeke, Yves; Flammang, Robert; Brown, Jeffrey M

2012-01-01

The AutoSpec 6F mass spectrometer is a large, floor standing instrument comprising a pair of commercial EBE geometry (AutoSpec) mass spectrometers coupled in series to provide an hybrid EBE-EBE configuration, (E and B being respectively electrostatic and magnetic sectors.) It was designed in close collaboration between Professor R. Flammang and VG Analytical in Manchester, UK. It was equipped with five collision cells and allowed the recording of high energy CID (collision induced dissociation), MIKES (mass analyzed ion kinetic energy spectrometry) and NRMS (neutralization re-ionization mass spectrometry) data as well as consecutive MSn analyses. The field-free regions between sectors allowed the study of unimolecular decomposition products from long-lived metastable ions. The mass spectrometer became even more versatile when an RF-only quadrupole collision cell was installed between the second and the third electric sector. This allowed the study of associative ion/molecule reactions in the low kinetic energy regime. Bimolecular chemical reactions were performed inside the quadrupole cell when a neutral reagent was introduced and the reaction products were analyzed by high energy CID in the downstream sectors. This paper tells the history and summarizes the capabilities of this versatile instrument.

Oscillatory Dynamics of Single Bubbles and Agglomeration in a Sound Field in Microgravity

NASA Technical Reports Server (NTRS)

Marston, Philip L.; Trinh, Eugene H.; Depew, Jon; Asaki, Thomas J.

1994-01-01

A dual-frequency acoustic levitator containing water was developed for studying bubble and drop dynamics in low gravity. It was flown on USML-1 where it was used in the Glovebox facility. High frequency (21 or 63 kHz) ultrasonic waves were modulated by low frequencies to excite shape oscillations on bubbles and oil drops ultrasonically trapped in the water. Bubble diameters were typically close to 1 cm or larger. When such large bubbles are acoustically trapped on the Earth, the acoustic radiation pressure needed to overcome buoyancy tends to shift the natural frequency for quadrupole (n = 2) oscillations above the prediction of Lamb's equation. In low gravity, a much weaker trapping force was used and measurements of n = 2 and 3 mode frequencies were closer to the ideal case. Other video observations in low gravity include: (i) the transient reappearance of a bulge where a small bubble has coalesced with a large one, (ii) observations of the dynamics of bubbles coated by oil indicating that shape oscillations can shift a coated bubble away from the oil-water interface of the coating giving a centering of the core, and (iii) the agglomeration of bubbles induced by the sound field.

Chemical Mass Shifts in a Digital Linear Ion Trap as Analytical Identity of o-, m-, and p-Xylene.

PubMed

Sun, Lulu; Xue, Bing; Huang, Zhengxu; Cheng, Ping; Ma, Li; Ding, Li; Zhou, Zhen

2018-07-01

Chemical mass shifts between isomeric ions of o-, m-, and p-xylene were measured using a digital linear ion trap, and the directions and values of the shifts were found to be correlated to the collision cross sections of the isomers. Both forward and reverse scans were used and the chemical shifts for each pair of isomers in scans of opposite directions were in opposite signs. Using different voltage settings (namely the voltage dividing ratio-VDR) of the ion trap allows adding high order field components in the quadrupole field and results in larger chemical mass shifts. The differential chemical mass shift which combined the shifts from forward and reverse scans doubled the amount of chemical shift, e.g., 0.077 Th between o- and p-xylene, enough for identification of the type of isomer without using an additional ion mobility spectrometer. The feature of equal and opposite chemical mass shifts also allowed to null out the chemical mass shift by calculating the mean m/z value between the two opposite scans and remove or reduce the mass error caused by chemical mass shift. Graphical Abstract ᅟ.

UV Photodissociation Action Spectroscopy of Haloanilinium Ions in a Linear Quadrupole Ion Trap Mass Spectrometer

NASA Astrophysics Data System (ADS)

Hansen, Christopher S.; Kirk, Benjamin B.; Blanksby, Stephen J.; O'Hair, Richard. A. J.; Trevitt, Adam J.

2013-06-01

UV-vis photodissociation action spectroscopy is becoming increasingly prevalent because of advances in, and commercial availability of, ion trapping technologies and tunable laser sources. This study outlines in detail an instrumental arrangement, combining a commercial ion-trap mass spectrometer and tunable nanosecond pulsed laser source, for performing fully automated photodissociation action spectroscopy on gas-phase ions. The components of the instrumentation are outlined, including the optical and electronic interfacing, in addition to the control software for automating the experiment and performing online analysis of the spectra. To demonstrate the utility of this ensemble, the photodissociation action spectra of 4-chloroanilinium, 4-bromoanilinium, and 4-iodoanilinium cations are presented and discussed. Multiple photoproducts are detected in each case and the photoproduct yields are followed as a function of laser wavelength. It is shown that the wavelength-dependent partitioning of the halide loss, H loss, and NH3 loss channels can be broadly rationalized in terms of the relative carbon-halide bond dissociation energies and processes of energy redistribution. The photodissociation action spectrum of (phenyl)Ag2 + is compared with a literature spectrum as a further benchmark.

Cooling atomic ions with visible and infra-red light

NASA Astrophysics Data System (ADS)

Lindenfelser, F.; Marinelli, M.; Negnevitsky, V.; Ragg, S.; Home, J. P.

2017-06-01

We demonstrate the ability to load, cool and detect singly charged calcium ions in a surface electrode trap using only visible and infrared lasers for the trapped-ion control. As opposed to the standard methods of cooling using dipole-allowed transitions, we combine power broadening of a quadrupole transition at 729 nm with quenching of the upper level using a dipole allowed transition at 854 nm. By observing the resulting 393 nm fluorescence we are able to perform background-free detection of the ion. We show that this system can be used to smoothly transition between the Doppler cooling and sideband cooling regimes, and verify theoretical predictions throughout this range. We achieve scattering rates which reliably allow recooling after collision events and allow ions to be loaded from a thermal atomic beam. This work is compatible with recent advances in optical waveguides, and thus opens a path in current technologies for large-scale quantum information processing. In situations where dielectric materials are placed close to trapped ions, it carries the additional advantage of using wavelengths which do not lead to significant charging, which should facilitate high rate optical interfaces between remotely held ions.

Effect of stray electric fields on cooling of center of mass motion of levitated graphite flakes

NASA Astrophysics Data System (ADS)

Nagornykh, Pavel; Coppock, Joyce; Kane, Bruce

2015-03-01

Levitation of charged multilayer graphene flakes in a quadrupole ion trap provides a unique way to study graphene in isolated conditions. Cooling of a flake in such a setup is necessary for high vacuum measurements of the flake and is achieved by using a parametric feedback scheme. We present data showing the strong dependence of the cooling of the flake's center of mass motion on the stray electric fields. We achieve this by using auxiliary electrodes to shift the position of the trap center in space. Once the point of minimum interaction between the stray fields and the particle is found (leading to cooling of the flake motion to temperatures below 20K at pressure of 10-7 Torr), we can estimate charge and mass of the flake by observing quantized discharge of the particle and measure transient dynamics of the center of mass motion by turning the cooling off and on. As an additional benefit, the behavior of the flake away from the optimum trap position can be used to quantify stray fields' effect on the particle motion by measuring its spinning orientation and frequency dependence on offset from the optimum position.

Chemical Mass Shifts in a Digital Linear Ion Trap as Analytical Identity of o-, m-, and p-Xylene

NASA Astrophysics Data System (ADS)

Sun, Lulu; Xue, Bing; Huang, Zhengxu; Cheng, Ping; Ma, Li; Ding, Li; Zhou, Zhen

2018-04-01

Chemical mass shifts between isomeric ions of o-, m-, and p-xylene were measured using a digital linear ion trap, and the directions and values of the shifts were found to be correlated to the collision cross sections of the isomers. Both forward and reverse scans were used and the chemical shifts for each pair of isomers in scans of opposite directions were in opposite signs. Using different voltage settings (namely the voltage dividing ratio-VDR) of the ion trap allows adding high order field components in the quadrupole field and results in larger chemical mass shifts. The differential chemical mass shift which combined the shifts from forward and reverse scans doubled the amount of chemical shift, e.g., 0.077 Th between o- and p-xylene, enough for identification of the type of isomer without using an additional ion mobility spectrometer. The feature of equal and opposite chemical mass shifts also allowed to null out the chemical mass shift by calculating the mean m/z value between the two opposite scans and remove or reduce the mass error caused by chemical mass shift. [Figure not available: see fulltext.

Charge retention behavior of preferentially oriented and textured Bi3.25La0.75Ti3O12 thin films by electrostatic force microscopy

NASA Astrophysics Data System (ADS)

Kim, T. Y.; Lee, J. H.; Oh, Y. J.; Choi, M. R.; Jo, W.

2007-02-01

The authors report charge retention in preferentially (117) oriented and textured c-axis oriented ferroelectric Bi3.25La0.75Ti3O12 thin films by electrostatic force microscopy. Surface charges of the films were observed as a function of time in a selected area which consists of a single-poled region and a reverse-poled region. The highly (117) oriented film shows the extended exponential decay with characteristic scaling exponents, n =1.5-1.6. The preferentially c-axis oriented film shows a remarkable retained behavior regardless of the poling. Decay and retention mechanisms of the regions are explained by space-charge redistribution and trapping of defects in the films.

Intrinsic trapping of stochastic sheared magnetic field lines

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

Negrea, M.; Petrisor, I.; Balescu, R.

2004-10-01

The decorrelation trajectory method is applied to the diffusion of magnetic field lines in a perturbed sheared slab magnetic configuration. Some interesting decorrelation trajectories for several values of the magnetic Kubo number and of the shear parameter are exhibited. The asymmetry of the decorrelation trajectories appears in comparison with those obtained in the purely electrostatic case studied in earlier work. The running and asymptotic diffusion tensor components are calculated and displayed.

Anomalous pinch of turbulent plasmas driven by the magnetic-drift-induced Lorentz force through the Stokes-Einstein relation

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

Wang, Shaojie, E-mail: wangsj@ustc.edu.cn

It is found that the Lorentz force generated by the magnetic drift drives a generic plasma pinch flux of particle, energy and momentum through the Stokes-Einstein relation. The proposed theoretical model applies for both electrons and ions, trapped particles, and passing particles. An anomalous parallel current pinch due to the electrostatic turbulence with long parallel wave-length is predicted.

Using a nanopore for single molecule detection and single cell transfection.

PubMed

Nelson, Edward M; Kurz, Volker; Shim, Jiwook; Timp, Winston; Timp, Gregory

2012-07-07

We assert that it is possible to trap and identify proteins, and even (conceivably) manipulate proteins secreted from a single cell (i.e. the secretome) through transfection via electroporation by exploiting the exquisite control over the electrostatic potential available in a nanopore. These capabilities may be leveraged for single cell analysis and transfection with single molecule resolution, ultimately enabling a careful scrutiny of tissue heterogeneity.

Collective excitation frequencies and stationary states of trapped dipolar Bose-Einstein condensates in the Thomas-Fermi regime

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

Bijnen, R. M. W. van; Department of Physics and Astronomy, McMaster University, Hamilton, Ontario L8S 4M1; Parker, N. G.

We present a general method for obtaining the exact static solutions and collective excitation frequencies of a trapped Bose-Einstein condensate (BEC) with dipolar atomic interactions in the Thomas-Fermi regime. The method incorporates analytic expressions for the dipolar potential of an arbitrary polynomial density profile, thereby reducing the problem of handling nonlocal dipolar interactions to the solution of algebraic equations. We comprehensively map out the static solutions and excitation modes, including non-cylindrically-symmetric traps, and also the case of negative scattering length where dipolar interactions stabilize an otherwise unstable condensate. The dynamical stability of the excitation modes gives insight into the onsetmore » of collapse of a dipolar BEC. We find that global collapse is consistently mediated by an anisotropic quadrupolar collective mode, although there are two trapping regimes in which the BEC is stable against quadrupole fluctuations even as the ratio of the dipolar to s-wave interactions becomes infinite. Motivated by the possibility of a fragmented condensate in a dipolar Bose gas due to the partially attractive interactions, we pay special attention to the scissors modes, which can provide a signature of superfluidity, and identify a long-range restoring force which is peculiar to dipolar systems. As part of the supporting material for this paper we provide the computer program used to make the calculations, including a graphical user interface.« less

Rotational spectroscopy of cold and trapped molecular ions in the Lamb-Dicke regime

NASA Astrophysics Data System (ADS)

Alighanbari, S.; Hansen, M. G.; Korobov, V. I.; Schiller, S.

2018-06-01

Sympathetic cooling of trapped ions has been established as a powerful technique for the manipulation of non-laser-coolable ions1-4. For molecular ions, it promises vastly enhanced spectroscopic resolution and accuracy. However, this potential remains untapped so far, with the best resolution achieved being not better than 5 × 10-8 fractionally, due to residual Doppler broadening being present in ion clusters even at the lowest achievable translational temperatures5. Here we introduce a general and accessible approach that enables Doppler-free rotational spectroscopy. It makes use of the strong radial spatial confinement of molecular ions when trapped and crystallized in a linear quadrupole trap, providing the Lamb-Dicke regime for rotational transitions. We achieve a linewidth of 1 × 10-9 fractionally and 1.3 kHz absolute, an improvement of ≃50-fold over the previous highest resolution in rotational spectroscopy. As an application, we demonstrate the most precise test of ab initio molecular theory and the most accurate (1.3 × 10-9) determination of the proton mass using molecular spectroscopy. The results represent the long overdue extension of Doppler-free microwave spectroscopy of laser-cooled atomic ion clusters6 to higher spectroscopy frequencies and to molecules. This approach enables a wide range of high-accuracy measurements on molecules, both on rotational and, as we project, vibrational transitions.

Variable dual-frequency electrostatic wave launcher for plasma applications.

PubMed

Jorns, Benjamin; Sorenson, Robert; Choueiri, Edgar

2011-12-01

A variable tuning system is presented for launching two electrostatic waves concurrently in a magnetized plasma. The purpose of this system is to satisfy the wave launching requirements for plasma applications where maximal power must be coupled into two carefully tuned electrostatic waves while minimizing erosion to the launching antenna. Two parallel LC traps with fixed inductors and variable capacitors are used to provide an impedance match between a two-wave source and a loop antenna placed outside the plasma. Equivalent circuit analysis is then employed to derive an analytical expression for the normalized, average magnetic flux density produced by the antenna in this system as a function of capacitance and frequency. It is found with this metric that the wave launcher can couple to electrostatic modes at two variable frequencies concurrently while attenuating noise from the source signal at undesired frequencies. An example based on an experiment for plasma heating with two electrostatic waves is used to demonstrate a procedure for tailoring the wave launcher to accommodate the frequency range and flux densities of a specific two-wave application. This example is also used to illustrate a method based on averaging over wave frequencies for evaluating the overall efficacy of the system. The wave launcher is shown to be particularly effective for the illustrative example--generating magnetic flux densities in excess of 50% of the ideal case at two variable frequencies concurrently--with a high adaptability to a number of plasma dynamics and heating applications.

Unique capabilities of AC frequency scanning and its implementation on a Mars Organic Molecule Analyzer linear ion trap.

PubMed

Snyder, Dalton T; Kaplan, Desmond A; Danell, Ryan M; van Amerom, Friso H W; Pinnick, Veronica T; Brinckerhoff, William B; Mahaffy, Paul R; Cooks, R Graham

2017-06-21

A limitation of conventional quadrupole ion trap scan modes which use rf amplitude control for mass scanning is that, in order to detect a subset of an ion population, the rest of the ion population must also be interrogated. That is, ions cannot be detected out of order; they must be detected in order of either increasing or decreasing mass-to-charge (m/z). However, an ion trap operated in the ac frequency scan mode, where the rf amplitude is kept constant and instead the ac frequency is used for mass-selective operations, has no such limitation because any variation in the ac frequency affects only the subset of ions whose secular frequencies match the perturbation frequency. Hence, an ion trap operated in the ac frequency scan mode can perform any arbitrary mass scan, as well as a sequence of scans, using a single ion injection; we demonstrate both capabilities here. Combining these two capabilities, we demonstrate the acquisition of a full mass spectrum, a product ion spectrum, and a second generation product ion spectrum using a single ion injection event. We further demonstrate a "segmented scan" in which different mass ranges are interrogated at different rf amplitudes in order to improve resolution over a portion of the mass range, and a "periodic scan" in which ions are continuously introduced into the ion trap to achieve a nearly 100% duty cycle. These unique scan modes, along with other characteristics of ac frequency scanning, are particularly appropriate for miniature ion trap mass spectrometers. Hence, implementation of ac frequency scanning on a prototype of the Mars Organic Molecule Analyzer mass spectrometer is also described.

Decelerating and Trapping Large Polar Molecules.

PubMed

Patterson, David

2016-11-18

Manipulating the motion of large polyatomic molecules, such as benzonitrile (C 6 H 5 CN), presents significant difficulties compared to the manipulation of diatomic molecules. Although recent impressive results have demonstrated manipulation, trapping, and cooling of molecules as large as CH 3 F, no general technique for trapping such molecules has been demonstrated, and cold neutral molecules larger than 5 atoms have not been trapped (M. Zeppenfeld, B. G. U. Englert, R. Glöckner, A. Prehn, M. Mielenz, C. Sommer, L. D. van Buuren, M. Motsch, G. Rempe, Nature 2012, 491, 570-573). In particular, extending Stark deceleration and electrostatic trapping to such species remains challenging. Here, we propose to combine a novel "asymmetric doublet state" Stark decelerator with recently demonstrated slow, cold, buffer-gas-cooled beams of closed-shell volatile molecules to realize a general system for decelerating and trapping samples of a broad range of volatile neutral polar prolate asymmetric top molecules. The technique is applicable to most stable volatile molecules in the 100-500 AMU range, and would be capable of producing trapped samples in a single rotational state and at a motional temperature of hundreds of mK. Such samples would immediately allow for spectroscopy of unprecedented resolution, and extensions would allow for further cooling and direct observation of slow intramolecular processes such as vibrational relaxation and Hertz-level tunneling dynamics. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A model for chorus associated electrostatic bursts

NASA Technical Reports Server (NTRS)

Grabbe, C. L.

1984-01-01

The linear theory of the generation of electrostatic bursts of noise by electrons trapped in chorus wave packets is developed for a finite temperature electron beam and a Maxwellian elecron and ion background. The growth rates determined qualitatively in good agreement with those obtained by previous authors from a more idealized model. Two connected instability mechanisms seem to be occurring: a beam plasma (electron-ion two-stream) instability commonly associated with intensification of the chorus power levels, and a transitional or borderline resistive medium instability commonly associated with chorus hooks. The physical reasons for the two mechanisms is discussed. In the second case electron beams are difficult to identify in the particle data. An expression is obtained for the maximum growth rate in terms of the ratios of the beam and electron thermal velocities to the beam velocity, and of the beam density to plasma density. It is anticipated that this may allow the observed peak in the electrostatic noise spectrum to be used as a diagnostic for the beam characteristics. Previously announced in STAR as N84-12832

Comprehensive mass spectrometric analysis of novel organic semiconductor molecules

NASA Astrophysics Data System (ADS)

Prada, Svitlana

This work presents a comprehensive mass spectrometry (MS) study of novel organic semiconductor molecules including ion mobility/reactivity measurements and trace elemental analysis. The organic molecules investigated here are important semiconductor materials for molecular electronic devices such as Organic Field-Effect Transistors (OFETs) and Light Emitted Diodes (LED). A high-performance orthogonal time-of flight mass spectrometer (TOF-MS) in combination with a matrix assisted laser desorption/ionization (MALDI) source operating at elevated pressure was used to perform MALDI/TOF analyses of pentacene and some of its derivatives with and without an added matrix. The observation of ion-molecule reactions between "cold" analyte ions and neutral analyte molecules in the gas phase has provided some insight into the mechanism of pentacene cluster formation and its functionalized derivatives. Furthermore, some of the matrices employed to assist the desorption/ionization process of these compounds were observed to influence the outcome via ion-molecule reactions of analyte ions and matrix molecules in the gas phase. The stability and reactivity of the compounds and their clusters in the MALDI plume during gas-phase expansion were evaluated; possible structures of the resulting clusters are discussed. The MALDI/TOF technique was also helpful in distinguishing between two isomeric forms of bis-[(triisopropylsilyl)-ethynyl]-pentacene. Furthermore, we reported ion mobility measurements of functionalized pentacene ions with a modified triple quadrupole mass spectrometer fitted with an ion molecule reactor (IMR). The IMR is equipped with a variable axial electrostatic drift field (ADF) and is able to trap ions for a prolong period of time. These capabilities were successfully employed in the measurement of ion mobilities in different modes of the IMR operation. Theoretical modeling of the drift dynamics and the special localization of the large ion packet was successfully implemented. The contribution of the quadrupole RF field to the drift dynamics also was taken into consideration. The IMR was successfully employed in the ion-molecule reactions study of four functionalized pentacene derivatives such as TIPS, o-TIPS, 6,13-bis-[(triisopropylsilyl)-ethynyl]-pentacene-2,3-dicarbonitrile (TIPS(CN)2), and 6,13-bis-[(triisopropylsilyl)-ethynyl]-pentacene-2,3,9,10-tetracarbonitrile (TIPS(CN)4). Details of the IMR operation in this mode are extensively discussed. The purity of the starting material is one of the most important parameters for the fabrication of a molecular electronic device. We report the method of determination of trace elemental impurities (Li, Na, Al, Mg, Be, Pb, Mn, Co, Ti, Sn, Cu, Cr, V, Zn, Fe, Ca, K and Ni) in organic semiconductor materials, such as Tetracene, Anthracene, Pentacene, TIPS and Rubrene, using an inductively coupled plasma quadrupole mass spectrometer (ICP-MS) fitted with a dynamic reaction cell (DRC). The determination of Fe, Ca, K and Ni in the organic semiconductor materials was carried out using NH3 as a reaction gas in the DRC mode to obviate the effect of polyatomic isobaric interferences. The other trace elements such as Li, Na, Al, Mg, Be, Pb, Mn, Co, Ti, Sn, Cu, Cr, V and Zn have been determined under standard operating conditions.

Compact, Highly Stable Ion Atomic Clock

NASA Technical Reports Server (NTRS)

Prestage, John

2008-01-01

A mercury-ion clock now at the breadboard stage of development (see figure) has a stability comparable to that of a hydrogen-maser clock: In tests, the clock exhibited an Allan deviation of between 2 x 10(exp -13) and 3 x 10(exp -13) at a measurement time of 1 second, averaging to about 10(exp -15) at 1 day. However, the clock occupies a volume of only about 2 liters . about a hundredth of the volume of a hydrogen-maser clock. The ion-handling parts of the apparatus are housed in a sealed vacuum tube, wherein only a getter pump is used to maintain the vacuum. Hence, this apparatus is a prototype of a generation of small, potentially portable high-precision clocks for diverse ground- and space-based navigation and radio science applications. Furthermore, this new ion-clock technology is about 100 times more stable and precise than the rubidium atomic clocks currently in use in the NAV STAR GPS Earth-orbiting satellites. In this clock, mercury ions are shuttled between a quadrupole and a 16-pole linear radio-frequency trap. In the quadrupole trap, the ions are tightly confined and optical state selection from a Hg-202 radio-frequency-discharge ultraviolet lamp is carried out. In the 16-pole trap, the ions are more loosely confined and atomic transitions resonant at frequency of about 40.507 GHz are interrogated by use of a microwave beam at that frequency. The trapping of ions effectively eliminates the frequency pulling caused by wall collisions inherent to gas-cell clocks. The shuttling of the ions between the two traps enables separation of the state-selection process from the clock microwave- resonance process, so that each of these processes can be optimized independently of the other. The basic ion-shuttling, two-trap scheme as described thus far is not new: it has been the basis of designs of prior larger clocks. The novelty of the present development lies in major redesigns of its physics package (the ion traps and the vacuum and optical subsystems) to effect the desired reduction of size to a volume of no more than a couple of liters. The redesign effort has included selection of materials for the vacuum tube, ion trap, and ultraviolet windows that withstand bakeout at a temperature of approx.450 C in preparation for sealing the tube to contain the vacuum. This part of the redesign effort follows the approach taken in the development of such other vacuum-tube electronic components as flight traveling- wave-tube amplifiers having operational and shelf lives as long as 15 years. The redesign effort has also included a thorough study of residual-gas-induced shifts of the ion-clock frequency and a study of alternative gases as candidates for use as a buffer gas within the sealed tube. It has been found that neon is more suitable than is helium, which has been traditionally used for this purpose, in that the pressure-induced frequency pulling by neon is between a third and a half of that of helium. In addition, because neon diffuses through solids much more slowly than does helium, the loss of neon by diffusion over the operational lifetime is expected to be negligible.

Application of high-performance liquid chromatography-tandem mass spectrometry with a quadrupole/linear ion trap instrument for the analysis of pesticide residues in olive oil.

PubMed

Hernando, M D; Ferrer, C; Ulaszewska, M; García-Reyes, J F; Molina-Díaz, A; Fernández-Alba, A R

2007-11-01

This article describes the development of an enhanced liquid chromatography-mass spectrometry (LC-MS) method for the analysis of pesticides in olive oil. One hundred pesticides belonging to different classes and that are currently used in agriculture have been included in this method. The LC-MS method was developed using a hybrid quadrupole/linear ion trap (QqQ(LIT)) analyzer. Key features of this technique are the rapid scan acquisition times, high specificity and high sensitivity it enables when the multiple reaction monitoring (MRM) mode or the linear ion-trap operational mode is employed. The application of 5 ms dwell times using a linearly accelerating (LINAC) high-pressure collision cell enabled the analysis of a high number of pesticides, with enough data points acquired for optimal peak definition in MRM operation mode and for satisfactory quantitative determinations to be made. The method quantifies over a linear dynamic range of LOQs (0.03-10 microg kg(-1)) up to 500 microg kg(-1). Matrix effects were evaluated by comparing the slopes of matrix-matched and solvent-based calibration curves. Weak suppression or enhancement of signals was observed (<15% for most-80-of the pesticides). A study to assess the identification criteria based on the MRM ratio was carried out by comparing the variations observed in standard vs matrix (in terms of coefficient of variation, CV%) and within the linear range of concentrations studied. The CV was lower than 15% when the response observed in solvent was compared to that in olive oil. The limit of detection was < or =10 microg kg(-1) for five of the selected pesticides, < or =5 microg kg(-1) for 14, and < or =1 microg kg(-1) for 81 pesticides. For pesticides where additional structural information was necessary for confirmatory purposes-in particular at low concentrations, since the second transition could not be detected-survey scans for enhanced product ion (EPI) and MS3 were developed.

UV and solar photo-degradation of naproxen: TiO₂ catalyst effect, reaction kinetics, products identification and toxicity assessment.

PubMed

Jallouli, Nabil; Elghniji, Kais; Hentati, Olfa; Ribeiro, Ana R; Silva, Adrián M T; Ksibi, Mohamed

2016-03-05

Direct photolysis and TiO2-photocatalytic degradation of naproxen (NPX) in aqueous solution were studied using a UV lamp and solar irradiation. The degradation of NPX was found to be in accordance with pseudo-first order kinetics, the photocatalytic process being more efficient than photolysis. The NPX removal by photolysis (pHinitial 6.5) was 83% after 3h, with 11% of chemical oxygen demand (COD) reduction, whereas the TiO2-UV process led to higher removals of both NPX (98%) and COD (25%). The apparent pseudo-first-order rate constant (kapp) for NPX degradation by photolysis ranged from 0.0050 min(-1) at pH 3.5 to 0.0095 min(-1) at pH 6.5, while it was estimated to be 0.0063 min(-1) under acidic conditions in photocatalysis, increasing by 4-fold at pH 6.5. Ultra High Performance Liquid chromatography (UHPLC) coupled with a triple quadrupole detector and also a hybrid mass spectrometer which combines the linear ion trap triple quadrupole (LTQ) and OrbiTrap mass analyser, were used to identify NPX degradation products. The main intermediates detected were 1-(6-methoxynaphtalene-2-yl) ethylhydroperoxide, 2-ethyl-6-methoxynaphthalene, 1-(6-methoxynaphtalen-2-yl) ethanol, 1-(6-methoxynaphtalen-2-yl) ethanone and malic acid. Solar photocatalysis of NPX showed COD removals of 33% and 65% after 3 and 4h of treatment, respectively, and some reduction of acute toxicity, evaluated by the exposure of Eisenia andrei to OECD soils spiked with NPX-treated solutions. Copyright © 2015 Elsevier B.V. All rights reserved.

Exploring Chemistry in Microcompartments Using Guided Droplet Collisions in a Branched Quadrupole Trap Coupled to a Single Droplet, Paper Spray Mass Spectrometer

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

Jacobs, Michael I.; Davies, James F.; Lee, Lance

Recent studies suggest that reactions in aqueous microcompartments can occur at significantly different rates than those in the bulk. Most studies have used electrospray to generate a polydisperse source of highly charged microdroplets, leading to multiple confounding factors potentially influencing reaction rates (e.g., evaporation, charge, and size). Thus, the underlying mechanism for the observed enhancement remains unclear. We present a new type of electrodynamic balance - the branched quadrupole trap (BQT) - which can be used to study reactions in microdroplets in a controlled environment. The BQT allows for condensed phase chemical reactions to be initiated by colliding droplets withmore » different reactants and levitating the merged droplet indefinitely. The performance of the BQT is characterized in several ways. Sub-millisecond mixing times as fast as ~400 μs are measured for low velocity (~0.1 m/s) collisions of droplets with <40 μm diameters. The reaction of o-phthalaldehyde (OPA) with alanine in the presence of dithiolthreitol is measured using both fluorescence spectroscopy and single droplet paper spray mass spectrometry. The bimolecular rate constant for reaction of alanine with OPA is found to be 84 ± 10 and 67 ± 6 M -1s -1 in a 30 μm radius droplet and bulk solution, respectively, which demonstrates that bimolecular reaction rate coefficients can be quantified using merged microdroplets and that merged droplets can be used to study rate enhancements due to compartmentalization. Products of the reaction of OPA with alanine are detected in single droplets using paper spray mass spectrometry. Finally, we demonstrate that single droplets with <100 pg of analyte can easily be studied using single droplet mass spectrometry.« less

HPLC-DAD and HPLC-ESI-MS/MS methods for metabolite profiling of propolis extracts.

PubMed

Pellati, Federica; Orlandini, Giulia; Pinetti, Diego; Benvenuti, Stefania

2011-07-15

In this study, the composition of polyphenols (phenolic acids and flavonoids) in propolis extracts was investigated by HPLC-DAD and HPLC-ESI-MS/MS by comparing the performance of ion trap and triple quadrupole mass analyzers. The analyses were carried out on an Ascentis C(18) column (250mm×4.6mm I.D., 5μm), with a mobile phase composed by 0.1% formic acid in water and acetonitrile. Overall, the UV spectra, the MS and MS/MS data allowed the identification of 40 compounds. In the case of flavonoids, the triple quadrupole mass analyzer provided more collision energy if compared with the ion trap, originating product ions at best sensitivity. The HPLC method was validated in agreement with ICH guidelines: the correlation coefficients were >0.998; the limit of detection was in the range 1.6-4.6μg/ml; the recovery range was 96-105%; the intra- and inter-day %RSD values for retention times and peak areas were found to be <0.3 and 1.9%, respectively. The developed technique was applied to the analysis of hydroalcoholic extracts of propolis available on the Italian market. Although the chromatographic profile of the analyzed samples was similar, the quantitative analysis indicated that there is a great variability in the amount of the active compounds: the content of total phenolic acids ranged from 0.17 to 16.67mg/ml and the level of total flavonoids from 2.48 to 41.10mg/ml. The proposed method can be considered suitable for the phytochemical analysis of propolis extracts used in phytotherapy. Copyright © 2011 Elsevier B.V. All rights reserved.

Exploring Chemistry in Microcompartments Using Guided Droplet Collisions in a Branched Quadrupole Trap Coupled to a Single Droplet, Paper Spray Mass Spectrometer

DOE PAGES

Jacobs, Michael I.; Davies, James F.; Lee, Lance; ...

2017-10-19

Recent studies suggest that reactions in aqueous microcompartments can occur at significantly different rates than those in the bulk. Most studies have used electrospray to generate a polydisperse source of highly charged microdroplets, leading to multiple confounding factors potentially influencing reaction rates (e.g., evaporation, charge, and size). Thus, the underlying mechanism for the observed enhancement remains unclear. We present a new type of electrodynamic balance - the branched quadrupole trap (BQT) - which can be used to study reactions in microdroplets in a controlled environment. The BQT allows for condensed phase chemical reactions to be initiated by colliding droplets withmore » different reactants and levitating the merged droplet indefinitely. The performance of the BQT is characterized in several ways. Sub-millisecond mixing times as fast as ~400 μs are measured for low velocity (~0.1 m/s) collisions of droplets with <40 μm diameters. The reaction of o-phthalaldehyde (OPA) with alanine in the presence of dithiolthreitol is measured using both fluorescence spectroscopy and single droplet paper spray mass spectrometry. The bimolecular rate constant for reaction of alanine with OPA is found to be 84 ± 10 and 67 ± 6 M -1s -1 in a 30 μm radius droplet and bulk solution, respectively, which demonstrates that bimolecular reaction rate coefficients can be quantified using merged microdroplets and that merged droplets can be used to study rate enhancements due to compartmentalization. Products of the reaction of OPA with alanine are detected in single droplets using paper spray mass spectrometry. Finally, we demonstrate that single droplets with <100 pg of analyte can easily be studied using single droplet mass spectrometry.« less

Direct-injection mass spectrometric method for the rapid identification of fentanyl and norfentanyl in postmortem urine of six drug-overdose cases.

PubMed

Peer, Cody J; Shakleya, Diaa M; Younis, Islam R; Kraner, James C; Callery, Patrick S

2007-10-01

A rapid mass spectrometric method was developed for the identification of fentanyl and its major hepatic metabolite norfentanyl in postmortem urine of six drug-overdose victims involving fentanyl use. To reduce matrix effects or ion suppression, sample preparation consisted of centrifugation and solid-phase extraction. Deuterium-labeled internal standards ((2)H(5)-fentanyl and (2)H(5)-norfentanyl) were used to compensate for instrument variation in signal, analyte recovery during sample preparation, and ion suppression. Structural information for fentanyl and norfentanyl were collected using mass spectrometry (MS) with electrospray ionization (ESI) operated in the positive ion mode. Fentanyl (m/z 337) was found in each of the six overdose cases by the appearance of the MS-MS daughter ion on both an ion trap and a triple-quadrupole MS resulting from the fragmentation pathway of fentanyl (m/z 337 --> 188). Norfentanyl was detected in all six cases by the appearance of the MH(+) ion, m/z 233, with a single-quadrupole MS and confirmed in an ion trap MS. Ion suppression, as determined by the comparison of ion intensities from spiked samples in water with postmortem urine from the cases, ranged from 18% to 98% in three ESI sources. The use of stable isotope-labeled internal standards obviates sample preparation because ratios of analyte/internal standard remain constant in the presence of extensive matrix effects. This MS method provided sufficient sensitivity and selectivity for the rapid identification of fentanyl and norfentanyl in urine at levels >/= 10 ng/mL without prior analyte resolution by chromatography and with a total analysis time of less than 1 h.

The Laser Cooling and Magneto-Optical Trapping of the YO Molecule

NASA Astrophysics Data System (ADS)

Yeo, Mark

Laser cooling and magneto-optical trapping of neutral atoms has revolutionized the field of atomic physics by providing an elegant and efficient method to produce cold dense samples of ultracold atoms. Molecules, with their strong anisotropic dipolar interaction promises to unlock even richer phenomenon. However, due to their additional vibrational and rotational degrees of freedom, laser cooling techniques have only been extended to a small set of diatomic molecules. In this thesis, we demonstrate the first magneto-optical trapping of a diatomic molecule using a quasi-cycling transition and an oscillating quadrupole magnetic field. The transverse temperature of a cryogenically produced YO beam was reduced from 25 mK to 10 mK via doppler cooling and further reduced to 2 mK with the addition of magneto-optical trapping forces. The optical cycling in YO is complicated by the presence of an intermediate electronic state, as decays through this state lead to optical pumping into dark rotational states. Thus, we also demonstrate the mixing of rotational states in the ground electronic state using microwave radiation. This technique greatly enhances optical cycling, leading to a factor of 4 increase in the YO beam fluorescence and is used in conjunction with a frequency modulated and chirped continuous wave laser to longitudinally slow the YO beam. We generate YO molecules below 10 m/s that are directly loadable into a three-dimensional magneto-optical trap. This mixing technique provides an alternative to maintaining rotational closure and should extend laser cooling to a larger set of molecules.

A dark-line two-dimensional magneto-optical trap of 85Rb atoms with high optical depth.

PubMed

Zhang, Shanchao; Chen, J F; Liu, Chang; Zhou, Shuyu; Loy, M M T; Wong, G K L; Du, Shengwang

2012-07-01

We describe the apparatus of a dark-line two-dimensional (2D) magneto-optical trap (MOT) of (85)Rb cold atoms with high optical depth (OD). Different from the conventional configuration, two (of three) pairs of trapping laser beams in our 2D MOT setup do not follow the symmetry axes of the quadrupole magnetic field: they are aligned with 45° angles to the longitudinal axis. Two orthogonal repumping laser beams have a dark-line volume in the longitudinal axis at their cross over. With a total trapping laser power of 40 mW and repumping laser power of 18 mW, we obtain an atomic OD up to 160 in an electromagnetically induced transparency (EIT) scheme, which corresponds to an atomic-density-length product NL = 2.05 × 10(15) m(-2). In a closed two-state system, the OD can become as large as more than 600. Our 2D MOT configuration allows full optical access of the atoms in its longitudinal direction without interfering with the trapping and repumping laser beams spatially. Moreover, the zero magnetic field along the longitudinal axis allows the cold atoms maintain a long ground-state coherence time without switching off the MOT magnetic field, which makes it possible to operate the MOT at a high repetition rate and a high duty cycle. Our 2D MOT is ideal for atomic-ensemble-based quantum optics applications, such as EIT, entangled photon pair generation, optical quantum memory, and quantum information processing.

Detection of Quadrupole Interactions by Muon Level Crossing Resonance

NASA Astrophysics Data System (ADS)

Cox, S. F. J.

1992-02-01

The positive muon proves to be a very versatile and sensitive magnetic resonance probe: implanted in virtually any material its polarisation may be monitored via the asymmetry in its radioactive decay, giving information on the sites occupied by the muon in lattices or molecules, and the local fields experienced at these sites. The scope of these experiments has been greatly extended by the development of a technique of cross relaxation or level crossing resonance which allows quadrupole splittings on nuclei adjacent to the muon to be measured. The principles of the technique and the conditions necessary for detection of the spectra are described, together with a number of applications. Of especial interest is the manner in which muons mimic the behaviour of protons in matter. In metal lattices, for instance, muons invariably adopt the same interstitial sites as do protons in the dilute hydride phases, so that they can be used to study problems of localisation and diffusion common to those of hydrogen in metals. Studies of the muon level crossing resonance in copper have given valuable information on the crystallographic site, electronic structure and low temperature mobility of the interstitial defect. In semiconductors, muons are expected to trap at other impurities - notably acceptors - in processes analogous to the passivation of dopants by hydrogen. Muon resonance offers the exciting prospect of spectroscopic study of these passivation complexes. In molecular materials, substitution of protons by muons can be thought of rather like deuteration. Muons implanted in ice produce a significant change in the quadrupole coupling constant of adjacent 17O nuclei which may be traced to the effects of the large muon zero point energy; the resonance spectrum also exhibits temperature dependent features which may be informative on the nature and lifetime of defects in the ice structure. Muon level crossing resonance has already been studied in an oxide superconductor and this relatively young field is now wide open for quadrupole interaction studies in other materials, using a variety of nuclei.

One-dimensional numerical study of charged particle trajectories in turbulent electrostatic wave fields

NASA Technical Reports Server (NTRS)

Graham, K. N.; Fejer, J. A.

1976-01-01

The paper describes a numerical simulation of electron trajectories in weak random electric fields under conditions that are approximately true for Langmuir waves whose wavelength is much longer than the Debye length. Two types of trajectory calculations were made: (1) the initial particle velocity was made equal to the mean phase velocity of the waves, or (2) it was equal to 0.7419 times the mean velocity of the waves, so that the initial velocity differed substantially from all phase velocities of the wave spectrum. When the autocorrelation time is much greater than the trapping time, the particle motion can change virtually instantaneously from one of three states - high-velocity, low-velocity, or trapped state - to another. The probability of instantaneous transition from a high- or low-velocity state becomes small when the difference between the particle velocity and the mean phase velocity of the waves becomes high in comparison to the trapping velocity. Diffusive motion becomes negligible under these conditions also.

ITG-TEM turbulence simulation with bounce-averaged kinetic electrons in tokamak geometry

NASA Astrophysics Data System (ADS)

Kwon, Jae-Min; Qi, Lei; Yi, S.; Hahm, T. S.

2017-06-01

We develop a novel numerical scheme to simulate electrostatic turbulence with kinetic electron responses in magnetically confined toroidal plasmas. Focusing on ion gyro-radius scale turbulences with slower frequencies than the time scales for electron parallel motions, we employ and adapt the bounce-averaged kinetic equation to model trapped electrons for nonlinear turbulence simulation with Coulomb collisions. Ions are modeled by employing the gyrokinetic equation. The newly developed scheme is implemented on a global δf particle in cell code gKPSP. By performing linear and nonlinear simulations, it is demonstrated that the new scheme can reproduce key physical properties of Ion Temperature Gradient (ITG) and Trapped Electron Mode (TEM) instabilities, and resulting turbulent transport. The overall computational cost of kinetic electrons using this novel scheme is limited to 200%-300% of the cost for simulations with adiabatic electrons. Therefore the new scheme allows us to perform kinetic simulations with trapped electrons very efficiently in magnetized plasmas.

Long charged macromolecule in an entropic trap with rough surfaces.

PubMed

Mamasakhlisov, Yevgeni Sh; Hayryan, Shura; Hu, Chin-Kun

2012-11-01

The kinetics of the flux of a charged macromolecular solution through an environment of changing geometry with wide and constricted regions is investigated analytically. A model device consisting of alternating deep and shallow slits known as an "entropic trap" is used to represent the environment. The flux is supported by the external electrostatic field. The "wormlike chain" model is used for the macromolecule (dsDNA in the present study). The chain entropy in both the deep and the shallow slits, the work by the electric field, and the energy of the elastic bending of the chain are taken into account accurately. Based on the calculated free energy, the kinetics and the scaling behavior of the chain escaping from the entropic trap are studied. We find that the escape process occurs in two kinetic stages with different time scales and discuss the possible influence of the surface roughness. The scope of the accuracy of the proposed model is discussed.

Bistability in Doped Organic Thin Film Transistors (Preprint)

DTIC Science & Technology

2007-03-01

small molecules (e.g. pentacene ). As such, they do not necessarily compete with these more typical organic transistors, but rather have pertinence...involves dipping a substrate between two dilute polyelectrolyte solutions of opposite charge to build up a thin film via the electrostatic interactions...recovery is due to trapped O2(g) remaining in the film, which causes the reverse of reaction (1) to occur and the concomitant increase in the level of

Isolation of Ion-Driven Conformations in Diphenylacetylene Molecular Switches Using Cryogenic Infrared Spectroscopy

NASA Astrophysics Data System (ADS)

Wolk, Arron B.; Garand, Etienne; Jones, Ian M.; Kamrath, Michael Z.; Hamilton, Rew; Johnson, Mark A.

2012-06-01

We report the infrared predissociation spectra of a family of ionic diphenylacetylene molecular switch complexes. The electrosprayed complexes were trapped and cooled in a cryogenic (10K) quadrupole ion trap and tagged with molecular deuterium. The infrared spectra of the vibrationally cold species reveal sharp transitions over a wide energy range (800 - 3800 cm-1), facilitating comparison to harmonic spectra. The evolution of the band pattern upon derivatization of the complexes exposes the signatures of the amide, urea, and carbonyl functionalities, enabling unambiguous identification of the non-covalent interactions that control the secondary structure of the molecule. Complexation with the tetramethylammonium cation reveals a conformation analogous to that of the neutral molecule, while halide ion attachment induces a conformational change similar to that observed earlier in solution. In several cases, both the donor and acceptor groups involved in the multidentate H-bonds are observed, providing a microscopic mechanical picture of the interactions at play. I. Jones, and A. Hamilton, Angew. Chem. Intl. Edit. 50, 4597 (2011).

Analysis of amadori-glycated phosphatidylethanolamine in the plasma of healthy subjects and diabetic patients by liquid chromatography-tandem mass spectrometry.

PubMed

Miyazawa, Teruo; Ibusuki, Daigo; Yamashita, Shinji; Nakagawa, Kiyotaka

2008-04-01

Peroxidized phospholipid-mediated cytotoxity, the abnormal increase in the levels of phosphatidylcholine hydroperoxide (PCOOH) found in the plasma of type 2 diabetic patients, is involved in the pathophysiology of many diseases. PCOOH accumulation may be related to Amadori-glycated phosphatidylethanolamine (deoxy-D-fructosyl PE, or Amadori-PE) because Amadori-PE causes oxidative stress. However, the occurrence of lipid glycation products, including Amadori-PE, in vivo remains unclear. We developed a method to analyze Amadori-PE by using quadrupole/linear ion-trap mass spectrometry, the Applied Biosystems 4000 Q TRAP. We found that pyridoxals could easily be condensed with PE before the glucose-PE reaction occurred. The PE-pyridoxal 5'-phosphate adduct was detectable in human red blood cells, and the increased plasma Amadori-PE concentration in streptozotocin-induced diabetic rats was decreased by dietary supplementation with pyridoxal 5'-phosphate. Therefore, it is likely that pyridoxal 5'-phosphate acts as a lipid glycation inhibitor in vivo, and this may contribute to diabetes prevention.

TEMPO-Assisted Free Radical-Initiated Peptide Sequencing Mass Spectrometry (FRIPS MS) in Q-TOF and Orbitrap Mass Spectrometers: Single-Step Peptide Backbone Dissociations in Positive Ion Mode

NASA Astrophysics Data System (ADS)

Jang, Inae; Lee, Sun Young; Hwangbo, Song; Kang, Dukjin; Lee, Hookeun; Kim, Hugh I.; Moon, Bongjin; Oh, Han Bin

2017-01-01

The present study demonstrates that one-step peptide backbone fragmentations can be achieved using the TEMPO [2-(2,2,6,6-tetramethyl piperidine-1-oxyl)]-assisted free radical-initiated peptide sequencing (FRIPS) mass spectrometry in a hybrid quadrupole time-of-flight (Q-TOF) mass spectrometer and a Q-Exactive Orbitrap instrument in positive ion mode, in contrast to two-step peptide fragmentation in an ion-trap mass spectrometer (reference Anal. Chem. 85, 7044-7051 (30)). In the hybrid Q-TOF and Q-Exactive instruments, higher collisional energies can be applied to the target peptides, compared with the low collisional energies applied by the ion-trap instrument. The higher energy deposition and the additional multiple collisions in the collision cell in both instruments appear to result in one-step peptide backbone dissociations in positive ion mode. This new finding clearly demonstrates that the TEMPO-assisted FRIPS approach is a very useful tool in peptide mass spectrometry research.

Simultaneous quantification of poly-dispersed anionic, amphoteric and nonionic surfactants in simulated wastewater samples using C18 high-performance liquid chromatography-quadrupole ion-trap mass spectrometry

NASA Technical Reports Server (NTRS)

Levine, Lanfang H.; Garland, Jay L.; Johnson, Jodie V.

2005-01-01

This paper describes the development of a guantitative method for direct and simultaneous determination of three frequently encountered surfactants, amphoteric (cocoamphoacetate, CAA), anionic (sodium laureth sulfate, SLES), and nonionic (alcohol ethoxylate, AE) using a reversed-phase C18 HPLC coupled with an ESI ion-trap mass spectrometer (MS). Chemical composition, ionization characteristics and fragmentation pathways of the surfactants are presented. Positive ESI was effective for all three surfactants in agueous methanol buffered with ammonium acetate. The method enables rapid determinations in small sample volumes containing inorganic salts (up to 3.5 g L(-1)) and multiple classes of surfactants with high specificity by applying surfactant specific tandem mass spectrometric strategies. It has dynamic linear ranges of 2-60, 1.5-40, 0.8-56 mg L(-1) with R2 egual or greater than 0.999, 0.98 and 0.999 (10 microL injection) for CAA, SLES, and AE, respectively.

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

Hill, N.C.; Limbach, P.A.; Shomo, R.E. II

The coupling of an autoneutralizing SF{sup {minus}}{sub 6} fast ion-beam gun to a Fourier transform ion cyclotron resonance (FT/ICR) mass spectrometer is described. The fast neutral beam provides for secondary-ion-type FT/ICR mass analysis (e.g., production of abundant pseudomolecular (M+H){sup +} ions) of involatile samples without the need for external ion injection, since ions are formed at the entrance to the ICR ion trap. The design, construction, and testing of the hybrid instrument are described. The feasibility of the experiment (for both broadband and high-resolution FT/ICR positive-ion mass spectra) is demonstrated with {ital tetra}-butylammonium bromide and a Tylenol{sup ( )} sample.more » The ability to analyze high molecular weight polymers with high mass resolution is demonstrated for Teflon{sup ( )}. All of the advantages of the fast neutral beam ion source previously demonstrated with quadrupole mass analysis are preserved, and the additional advantages of FT/ICR mass analysis (e.g., high mass resolving power, ion trapping) are retained.« less

Fast neutral beam ion source coupled to a Fourier transform ion cyclotron resonance mass spectrometer

NASA Astrophysics Data System (ADS)

Hill, Nicholas C.; Limbach, Patrick A.; Shomo, Ronald E., II; Marshall, Alan G.; Appelhans, Anthony D.; Delmore, James E.

1991-11-01

The coupling of an autoneutralizing SF-6 fast ion-beam gun to a Fourier transform ion cyclotron resonance (FT/ICR) mass spectrometer is described. The fast neutral beam provides for secondary-ion-type FT/ICR mass analysis [e.g., production of abundant pseudomolecular (M+H)+ ions] of involatile samples without the need for external ion injection, since ions are formed at the entrance to the ICR ion trap. The design, construction, and testing of the hybrid instrument are described. The feasibility of the experiment (for both broadband and high-resolution FT/ICR positive-ion mass spectra) is demonstrated with tetra-butylammonium bromide and a Tylenol■ sample. The ability to analyze high molecular weight polymers with high mass resolution is demonstrated for Teflon■. All of the advantages of the fast neutral beam ion source previously demonstrated with quadrupole mass analysis are preserved, and the additional advantages of FT/ICR mass analysis (e.g., high mass resolving power, ion trapping) are retained.

Experimental observations of nonlinearly enhanced 2omega-UH electromagnetic radiation excited by steady-state colliding electron beams

NASA Technical Reports Server (NTRS)

Intrator, T.; Hershkowitz, N.; Chan, C.

1984-01-01

Counterstreaming large-diameter electron beams in a steady-state laboratory experiment are observed to generate transverse radiation at twice the upper-hybrid frequency (2omega-UH) with a quadrupole radiation pattern. The electromagnetic wave power density is nonlinearly enhanced over the power density obtained from a single beam-plasma system. Electromagnetic power density scales exponentially with beam energy and increases with ion mass. Weak turbulence theory can predict similar (but weaker) beam energy scaling but not the high power density, or the predominance of the 2omega-UH radiation peak over the omega-UH peak. Significant noise near the upper-hybrid and ion plasma frequencies is also measured, with normalized electrostatic wave energy density W(ES)/n(e)T(e) approximately 0.01.

Gaussian polarizable-ion tight binding.

PubMed

Boleininger, Max; Guilbert, Anne Ay; Horsfield, Andrew P

2016-10-14

To interpret ultrafast dynamics experiments on large molecules, computer simulation is required due to the complex response to the laser field. We present a method capable of efficiently computing the static electronic response of large systems to external electric fields. This is achieved by extending the density-functional tight binding method to include larger basis sets and by multipole expansion of the charge density into electrostatically interacting Gaussian distributions. Polarizabilities for a range of hydrocarbon molecules are computed for a multipole expansion up to quadrupole order, giving excellent agreement with experimental values, with average errors similar to those from density functional theory, but at a small fraction of the cost. We apply the model in conjunction with the polarizable-point-dipoles model to estimate the internal fields in amorphous poly(3-hexylthiophene-2,5-diyl).

Gaussian polarizable-ion tight binding

NASA Astrophysics Data System (ADS)

Boleininger, Max; Guilbert, Anne AY; Horsfield, Andrew P.

2016-10-01

To interpret ultrafast dynamics experiments on large molecules, computer simulation is required due to the complex response to the laser field. We present a method capable of efficiently computing the static electronic response of large systems to external electric fields. This is achieved by extending the density-functional tight binding method to include larger basis sets and by multipole expansion of the charge density into electrostatically interacting Gaussian distributions. Polarizabilities for a range of hydrocarbon molecules are computed for a multipole expansion up to quadrupole order, giving excellent agreement with experimental values, with average errors similar to those from density functional theory, but at a small fraction of the cost. We apply the model in conjunction with the polarizable-point-dipoles model to estimate the internal fields in amorphous poly(3-hexylthiophene-2,5-diyl).

Inertial electrostatic confinement and nuclear fusion in the interelectrode plasma of a nanosecond vacuum discharge. I: Experiment

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

Kurilenkov, Yu. K.; Skowronek, M.

2010-12-15

Properties of an aerosol substance with a high power density in the interelectrode space of a nano- second vacuum discharge are studied. The possibilities of emission and/or trapping of fast ions and hard X-rays by ensembles of clusters and microparticles are analyzed. The possibility of simultaneous partial trapping (diffusion) of X-rays and complete trapping of fast ions by a cluster ensemble is demonstrated experimentally. Due to such trapping, the aerosol ensemble transforms into a 'dusty' microreactor that can be used to investigate a certain class of nuclear processes, including collisional DD microfusion. Operating regimes of such a microreactor and theirmore » reproducibility were studied. On the whole, the generation efficiency of hard X-rays and neutrons in the proposed vacuum discharge with a hollow cathode can be higher by two orders of magnitude than that in a system 'high-power laser pulse-cluster cloud.' Multiply repeated nuclear fusion accompanied by pulsating DD neutron emission was reproducibly detected in experiment. Ion acceleration mechanisms in the interelectrode space and the fundamental role of the virtual cathode in observed nuclear fusion processes are discussed.« less

Effect of Trapped Ions on Shielding of a Charged Spherical Object in a Plasma

NASA Astrophysics Data System (ADS)

Lampe, Martin; Ganguli, Gurudas; Joyce, Glenn; Gavrishchaka, Valeriy

2001-04-01

The problem of electrostatic shielding around a small spherical collector immersed in plasma, and the related problem of electron and ion flow to the collector, date to the origins of plasma physics. Beginning with Langmuir[1], all calculations have neglected collisions, on the grounds that the mean free path is long compared to shielding length scales, i.e. the Debye length. However, investigators beginning with Bernstein and Rabinowitz[2] have known that negative-energy trapped ions, created by occasional collisions, might be important. We present an analytic calculation of the density of trapped and untrapped ions, self-consistent with a calculation of the potential. We show that under typical conditions for dust grains immersed in a discharge plasma, trapped ions dominate the shielding cloud in steady state, even in the limit of very long mean free path. As a result the shielded potential is quite different from the Debye form or the results of orbital motion limited theory. Collisions also modify the ion current to the grain, but to a lesser extent. [1]H. Mott-Smith and I. Langmuir, Phys. Rev. 28, 27 (1926). [2]I. Bernstein and I. Rabinowitz, Phys. Fluids 2,112(1959).

Enabling Exploration of Deep Space: High Density Storage of Antimatter

NASA Technical Reports Server (NTRS)

Smith, Gerald A.; Kramer, Kevin J.

1999-01-01

Portable electromagnetic antiproton traps are now in a state of realization. This allows facilities like NASA Marshall Space Flight Center to conduct antimatter research remote to production sites. MSFC is currently developing a trap to store 10(exp 12) antiprotons for a twenty-day half-life period to be used in future experiments including antimatter plasma guns, antimatter-initiated microfusion, and the synthesis of antihydrogen for space propulsion applications. In 1998, issues including design, safety and transportation were considered for the MSFC High Performance Antimatter Trap (HiPAT). Radial diffusion and annihilation losses of antiprotons prompted the use of a 4 Tesla superconducting magnet and a 20 KV electrostatic potential at 10(exp -12) Torr pressure. Cryogenic fluids used to maintain a trap temperature of 4K were sized accordingly to provide twenty days of stand-alone storage time (half-life). Procurement of the superconducting magnet with associated cryostat has been completed. The inner, ultra-high vacuum system with electrode structures has been fabricated, tested and delivered to MSFC along with the magnet and cryostat. Assembly of these systems is currently in progress. Testing under high vacuum conditions, using electrons and hydrogen ions will follow in the months ahead.

Curvature-induced capillary interaction of spherical particles at a liquid interface.

PubMed

Würger, Alois

2006-10-01

We consider a liquid interface with different principal curvatures +/-c and find that the mere presence of a spherical particle leads to a deformation field of quadrupolar symmetry; the corresponding "capillary quadrupole moment" is given by the ratio of the particle size and the curvature radius. The resulting pair interaction of nearby particles is anisotropic and favors the formation of aggregates of cubic symmetry. Since the single-particle trapping energy depends quadratically on curvature with a negative prefactor, a curvature gradient induces a lateral force that pushes the particles towards strongly curved regions of the interface. As an illustration we discuss the effects occurring on a catenoid.

Control system high-precision laser to obtain the ensemble of ultracold ions Th3+

NASA Astrophysics Data System (ADS)

Florentsev, V. V.; Zhdamirov, V. Yu; Rodko, I. I.; Borodulya, N. A.; Biryukov, A. P.

2018-01-01

One of key problems of nuclear standard frequency development is preparation assembly of ultracold thorium ions in Pauli trap. In this case semiconductive frequency-stabilized lasers with external resonator on frequencies 690 nm, 984 nm, and 1088 nm are used for excitation of corresponding electronic dipole and quadrupole cooling transitions for Th3+ ions. In the paper the results of development and creation of unified laser module, which is able to be used as base for full-featured system designed for laser cooling of Th3+ ions, are presented. The module is able to fine-tune necessary wavelength with accuracy ±5 nm.

X-ray spectroscopy of E2 and M3 transitions in Ni-like W

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

Clementson, J.; Beiersdorfer, P.; Gu, M. F.

2010-01-15

The electric quadrupole (E2) and magnetic octupole (M3) ground-state transitions in Ni-like W{sup 46+} have been measured using high-resolution crystal spectroscopy at the LLNL electron-beam ion trap facility. The lines fall in the soft x-ray region near 7.93 A and were originally observed as an unresolved feature in tokamak plasmas. Using flat ammonium dihydrogen phosphate and quartz crystals, the wavelengths, intensities, and polarizations of the two lines have been measured for various electron-beam energies and compared to intensity and polarization calculations performed using the Flexible Atomic Code (FAC).

Magnetic field extraction of trap-based electron beams using a high-permeability grid

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

Hurst, N. C.; Danielson, J. R.; Surko, C. M., E-mail: csurko@physics.ucsd.edu

2015-07-15

A method to form high quality electrostatically guided lepton beams is explored. Test electron beams are extracted from tailored plasmas confined in a Penning-Malmberg trap. The particles are then extracted from the confining axial magnetic field by passing them through a high magnetic permeability grid with radial tines (a so-called “magnetic spider”). An Einzel lens is used to focus and analyze the beam properties. Numerical simulations are used to model non-adiabatic effects due to the spider, and the predictions are compared with the experimental results. Improvements in beam quality are discussed relative to the use of a hole in amore » high permeability shield (i.e., in lieu of the spider), and areas for further improvement are described.« less

Compartmentalization of amino acids in surfactant aggregates - Partitioning between water and aqueous micellar sodium dodecanoate and between hexane and dodecylammonium propionate trapped water in hexane

NASA Technical Reports Server (NTRS)

Fendler, J. H.; Nome, F.; Nagyvary, J.

1975-01-01

The partitioning of amino acids (glycine, alanine, leucine, phenylalanine, histidine, aspartic acid, glutamic acid, lysine, isoleucine, threonine, serine, valine, proline, arginine) in aqueous and nonaqueous micellar systems was studied experimentally. Partitioning from neat hexane into dodecylammonium propionate trapped water in hexane was found to be dependent on both electrostatic and hydrophobic interactions, which implies that the interior of dodecylammonium propionate aggregates is negatively charged and is capable of hydrogen bonding in addition to providing a hydrophobic environment. Unitary free energies of transfer of amino acid side chains from hexane to water were determined and solubilities of amino acids in neat hexane substantiated the amino acid hydrophobicity scale. The relevance of the experiments to prebiotic chemistry was examined.

Mass-selective isolation of ions stored in a quadrupole ion trap. A simulation study

NASA Astrophysics Data System (ADS)

March, Raymond E.; Londry, Frank A.; Alfred, Roland L.; Franklin, Anthony M.; Todd, John F. J.

1992-01-01

Trajectories of single ions stored in the quadrupole ion trap have been calculated using a simulation program described as the specific program for quadrupolar resonance (SPQR). Previously, the program has been used for the investigation of quadrupolar resonance excitation of ions with a static working point (or co-ordinates) in the stability diagram. The program has been modified to accommodate continuous d.c. and/or r.f. voltage ramps so as to permit calculation of ion trajectories while the working point is being changed. The modified program has been applied to the calculation of ion trajectories during ion isolation, or mass-selective storage, in the ion trap. The quadrupolar resonance excitation aspect of SPQR was not used in this study. Trajectories are displayed as temporal variations of ion kinetic energy, and axial and radial excursions from the centre of the ion trap. The working points of three ion species (m/z 144, 146 and 148), located initially on the qz, axis with qz [approximate] 0.12, were moved to the vicinity of the upper apex by a combination of r.f. and d.c. voltages applied in succession. Stable trajectories were maintained only for the ion species of m/z 146 for which the working point lay within this apex; the other ion species were ejected either radially or axially. The d.c. voltage was then reduced to zero so as to restore the working point of the isolated ion species to the qz axis. The amplitude of the r.f voltage was reduced to its initial value so as to retrieve the initial working point for m/z 146. The process extended over a real time of 2.9 ms, and was collision-free. The trajectory of the isolated ion was stable during this process; the ion species with m/z value lower than that of the target ion, that is, m/z 144, was ejected axially at the [beta]z = 1 boundary, while that with higher m/z value, that is, m/z 148, was ejected radially at the [beta]r = 0 boundary, as expected. The moderating effects of buffer gas were not taken into consideration and ion kinetic energies during the sorting period were found to be sufficiently great that dissociative losses may be appreciable in a collisional system. A possible strategy for reducing kinetic energy during this process has been proposed.

Capabilities of different liquid chromatography tandem mass spectrometry systems in determining pesticide residues in food. Application to estimate their daily intake.

PubMed

Soler, Carla; James, K J; Picó, Yolanda

2007-07-20

Three different liquid chromatography-mass spectrometry (LC-MS) instruments equipped with triple quadrupole (QqQ), quadrupole ion trap (QIT) and quadrupole-time-of-flight (QqTOF), suitable to carry out tandem mass spectrometry, were examined to determine pesticide residues in food. Twelve pesticides (acrinathrin, bupirimate, buprofezin, cyproconazole, lambda-cyhalothrin, fluvalinate, hexaflumuron, kresoxim-methyl, propanil, pyrifenox, pyriproxyfen and tebufenpyrad) and six matrices (oranges, strawberries, cherries, peaches, apricots and pears) were taken as model. The comparison was focused on two aspects: the quantitative, covering sensitivity, precision and accuracy as well as the qualitative, checking the possibility to identify any metabolite present in the samples, which were not targeted in the methods. The extraction was carried out using pressurized liquid extraction (PLE) with ethyl acetate and acid alumina. Recoveries were over 70 % for all the analytes. Repeatabilities were better for the QqQ (5-12%) than for QIT (6-15%) and for QqTOF (14-19%). QqQ offered a linear dynamic range of at least three orders of magnitude, whereas those of QIT and QqTOF were two and one orders of magnitude, respectively. QqQ reached at least 20-fold higher sensitivity than QIT and QqTOF. However, the QqQ failed to identify non-target compounds. QIT and QqTOF were able to successfully identify the metabolite of bupirimate, ethirimol. Application to monitor the content in fruits, taken from agricultural cooperatives, and to calculate the estimated daily intake (EDI) to establish if there is any difference of toxicological interest is also reported.

A new fast-cycling system for AMS at ANU

NASA Astrophysics Data System (ADS)

De Cesare, M.; Fifield, L. K.; Weisser, D. C.; Tsifakis, D.; Cooper, A.; Lobanov, N. R.; Tunningley, T. B.; Tims, S. G.; Wallner, A.

2015-10-01

In order to perform higher precision measurements, an upgrade of the ANU accelerator is underway. Fast switching times on the low-energy side, with maximum settling times of 30 ms, are achieved by holding the injector magnet field constant while changing the energy of the different isotopes by changing the pre-acceleration voltage after the ion source. Because ions of the different isotopes then have different energies before injection, it is necessary to adjust the strength and steering of the electrostatic quadrupole lens that focusses the beam before entry into the accelerator. First tests of the low-energy system will be reported. At the high energy end, a larger vacuum box in the analyzing magnet has been designed, manufactured and installed to allow the transport of differences in mass as large as 10% at constant terminal voltage. For the cases where more than one isotope must be transported to the detector an additional refinement is necessary. If the accelerator voltage is to be kept constant, then the trajectories of the different isotopes around both the analyzing and switching magnets must be modified. This will be achieved using bounced electrostatic steerers before and after the magnets. Simulations have been performed with the ion optic code COSY Infinity to determine the optimal positions and sizes of these steerers.

Review of Plasma Techniques Used to Trap Antihydrogen

NASA Astrophysics Data System (ADS)

Fajans, Joel

2011-10-01

Recently, the ALPHA collaboration at CERN trapped antihydrogen atoms. To date, over three hundred antiatoms have been confined, some for as long as 1000s. This was the first time that antiatoms had ever been trapped. The ultimate goal of the ALPHA collaboration is to test CPT invariance by comparing the spectra of hydrogen and antihydrogen, and to measure the gravitational attraction between matter and antimatter. Such studies might resolve the baryogenesis problem: why is there very little antimatter in the Universe? The ALPHA experiment brought together techniques from many different fields of physics, but the crucial breakthroughs were in plasma physics. The essential problem is this: How does one combine two Malmberg-Penning trapped plasmas, one made from antiprotons, and the other positrons, which have opposite electrostatic potentials of nearly one volt, in such a manner that the antiprotons traverse the positrons with kinetic energies of less than 40 μeV, this latter being the depth of the superimposed neutral antihydrogen trap? The plasma techniques ALPHA developed to accomplish this include: Minimizing the effects of the neutral trap multipole fields on the positron and antiproton plasma confinement. Compressing antiprotons down to less than 0.5mm. Using autoresonance to inject antiprotons into the positrons with very little excess energy. Evaporative cooling of the electrons and antiprotons to record low temperatures. Development of charge, radial profile, temperature, and antiproton loss location diagnostics. Careful and lengthy manipulations to finesse the plasmas into the best states for optimal antihydrogen production and trapping. The plasma techniques necessary to trap antihydrogen will be reviewed in this talk. This work was supported by DOE and NSF, and is reported on behalf of the ALPHA collaboration.

Atom Skimmers and Atom Lasers Utilizing Them

NASA Technical Reports Server (NTRS)

Hulet, Randall; Tollett, Jeff; Franke, Kurt; Moss, Steve; Sackett, Charles; Gerton, Jordan; Ghaffari, Bita; McAlexander, W.; Strecker, K.; Homan, D.

2005-01-01

Atom skimmers are devices that act as low-pass velocity filters for atoms in thermal atomic beams. An atom skimmer operating in conjunction with a suitable thermal atomic-beam source (e.g., an oven in which cesium is heated) can serve as a source of slow atoms for a magneto-optical trap or other apparatus in an atomic-physics experiment. Phenomena that are studied in such apparatuses include Bose-Einstein condensation of atomic gases, spectra of trapped atoms, and collisions of slowly moving atoms. An atom skimmer includes a curved, low-thermal-conduction tube that leads from the outlet of a thermal atomic-beam source to the inlet of a magneto-optical trap or other device in which the selected low-velocity atoms are to be used. Permanent rare-earth magnets are placed around the tube in a yoke of high-magnetic-permeability material to establish a quadrupole or octupole magnetic field leading from the source to the trap. The atoms are attracted to the locus of minimum magnetic-field intensity in the middle of the tube, and the gradient of the magnetic field provides centripetal force that guides the atoms around the curve along the axis of the tube. The threshold velocity for guiding is dictated by the gradient of the magnetic field and the radius of curvature of the tube. Atoms moving at lesser velocities are successfully guided; faster atoms strike the tube wall and are lost from the beam.

Tripartite ATP-independent Periplasmic (TRAP) Transporters Use an Arginine-mediated Selectivity Filter for High Affinity Substrate Binding*

PubMed Central

Fischer, Marcus; Hopkins, Adam P.; Severi, Emmanuele; Hawkhead, Judith; Bawdon, Daniel; Watts, Andrew G.; Hubbard, Roderick E.; Thomas, Gavin H.

2015-01-01

Tripartite ATP-independent periplasmic (TRAP) transporters are secondary transporters that have evolved an obligate dependence on a substrate-binding protein (SBP) to confer unidirectional transport. Different members of the DctP family of TRAP SBPs have binding sites that recognize a diverse range of organic acid ligands but appear to only share a common electrostatic interaction between a conserved arginine and a carboxylate group in the ligand. We investigated the significance of this interaction using the sialic acid-specific SBP, SiaP, from the Haemophilus influenzae virulence-related SiaPQM TRAP transporter. Using in vitro, in vivo, and structural methods applied to SiaP, we demonstrate that the coordination of the acidic ligand moiety of sialic acid by the conserved arginine (Arg-147) is essential for the function of the transporter as a high affinity scavenging system. However, at high substrate concentrations, the transporter can function in the absence of Arg-147 suggesting that this bi-molecular interaction is not involved in further stages of the transport cycle. As well as being required for high affinity binding, we also demonstrate that the Arg-147 is a strong selectivity filter for carboxylate-containing substrates in TRAP transporters by engineering the SBP to recognize a non-carboxylate-containing substrate, sialylamide, through water-mediated interactions. Together, these data provide biochemical and structural support that TRAP transporters function predominantly as high affinity transporters for carboxylate-containing substrates. PMID:26342690

Stainless Steel Permeability

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

Buchenauer, Dean A.; Karnesky, Richard A.

An understanding of the behavior of hydrogen isotopes in materials is critical to predicting tritium transport in structural metals (at high pressure), estimating tritium losses during production (fission environment), and predicting in-vessel inventory for future fusion devices (plasma driven permeation). Current models often assume equilibrium diffusivity and solubility for a class of materials (e.g. stainless steels or aluminum alloys), neglecting trapping effects or, at best, considering a single population of trapping sites. Permeation and trapping studies of the particular castings and forgings enable greater confidence and reduced margins in the models. For FY15, we have continued our investigation of themore » role of ferrite in permeation for steels of interest to GTS, through measurements of the duplex steel 2507. We also initiated an investigation of the permeability in work hardened materials, to follow up on earlier observations of unusual permeability in a particular region of 304L forgings. Samples were prepared and characterized for ferrite content and coated with palladium to prevent oxidation. Issues with the poor reproducibility of measurements at low permeability were overcome, although the techniques in use are tedious. Funding through TPBAR and GTS were secured for a research grade quadrupole mass spectrometer (QMS) and replacement turbo pumps, which should improve the fidelity and throughput of measurements in FY16.« less

Design study of low-energy beam transport for multi-charge beams at RAON

NASA Astrophysics Data System (ADS)

Bahng, Jungbae; Qiang, Ji; Kim, Eun-San

2015-12-01

The Rare isotope Accelerator Of Newness (RAON) at the Rare Isotope Science Project (RISP) is being designed to simultaneously accelerate beams with multiple charge states. It includes a driver superconducting (SC) linac for producing 200 MeV/u and 400 kW continuous wave (CW) heavy ion beams from protons to uranium. The RAON consists of a few electron cyclotron resonance ion sources, a low-energy beam transport (LEBT) system, a CW 81.25 MHz, 500 keV/u radio frequency quadrupole (RFQ) accelerator, a medium-energy beam transport system, the SC linac, and a charge-stripper system. The LEBT system for the RISP accelerator facility consists of a high-voltage platform, two 90° dipoles, a multi-harmonic buncher (MHB), solenoids, electrostatic quadrupoles, a velocity equalizer, and a diagnostic system. The ECR ion sources are located on a high-voltage platform to reach an initial beam energy of 10 keV/u. After extraction, the ion beam is transported through the LEBT system to the RFQ accelerator. The generated charge states are selected by an achromatic bending system and then bunched by the MHB in the LEBT system. The MHB is used to achieve a small longitudinal emittance in the RFQ by generating a sawtooth wave with three harmonics. In this paper, we present the results and issues of the beam dynamics of the LEBT system.

Atomistic simulations of CO2 and N2 within cage-type silica zeolites.

PubMed

Madison, Lindsey; Heitzer, Henry; Russell, Colin; Kohen, Daniela

2011-03-01

The behavior of CO(2) and N(2), both as single components and as binary mixtures, in two cage-type silica zeolites was studied using atomistic simulations. The zeolites considered, ITQ-3 and paradigm cage-type zeolite ZK4 (the all-silica analog of LTA), were chosen so that the principles illustrated can be generalized to other adsorbent/adsorbate systems with similar topology and types of interactions. N(2) was chosen both because of the potential uses of N(2)/CO(2) separations and because it differs from CO(2) most significantly in the magnitude of its Coulombic interactions with zeolites. Despite similarities between N(2) and CO(2) diffusion in other materials, we show here that the diffusion of CO(2) within cage-type zeolites is dominated by an energy barrier to diffusion located at the entrance to the narrow channels connecting larger cages. This barrier originates in Coulombic interactions between zeolites and CO(2)'s quadrupole and results in well-defined orientations for the diffusing molecules. Furthermore, CO(2)'s favorable electrostatic interactions with the zeolite framework result in preferential binding in the windows between cages. N(2)'s behavior, in contrast, is more consistent with that of molecules previously studied. Our analysis suggests that CO(2)'s behavior might be common for adsorbates with quadrupoles that interact strongly with a material that has narrow windows between cages.

A Core-Particle Model for Periodically Focused Ion Beams with Intense Space-Charge

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

Lund, S M; Barnard, J J; Bukh, B

2006-08-02

A core-particle model is derived to analyze transverse orbits of test particles evolving in the presence of a core ion beam described by the KV distribution. The core beam has uniform density within an elliptical cross-section and can be applied to model both quadrupole and solenoidal focused beams in periodic or aperiodic lattices. Efficient analytical descriptions of electrostatic space-charge fields external to the beam core are derived to simplify model equations. Image charge effects are analyzed for an elliptical beam centered in a round, conducting pipe to estimate model corrections resulting from image charge nonlinearities. Transformations are employed to removemore » coherent utter motion associated with oscillations of the ion beam core due to rapidly varying, linear applied focusing forces. Diagnostics for particle trajectories, Poincare phase-space projections, and single-particle emittances based on these transformations better illustrate the effects of nonlinear forces acting on particles evolving outside the core. A numerical code has been written based on this model. Example applications illustrate model characteristics. The core-particle model described has recently been applied to identify physical processes leading to space-charge transport limits for an rms matched beam in a periodic quadrupole focusing channel [Lund and Chawla, Nuc. Instr. and Meth. A 561, 203 (2006)]. Further characteristics of these processes are presented here.« less

Screening of pharmaceuticals and illicit drugs in wastewater and surface waters of Spain and Italy by high resolution mass spectrometry using UHPLC-QTOF MS and LC-LTQ-Orbitrap MS.

PubMed

Bade, Richard; Rousis, Nikolaos I; Bijlsma, Lubertus; Gracia-Lor, Emma; Castiglioni, Sara; Sancho, Juan V; Hernandez, Felix

2015-12-01

The existence of pharmaceuticals and illicit drugs (PIDs) in environmental waters has led many analytical chemists to develop screening methods for monitoring purposes. Water samples can contain a huge number of possible contaminants, commonly at low concentrations, which makes their detection and identification problematic. Liquid chromatography coupled with high resolution mass spectrometry (LC-HRMS) has proven itself effective in the screening of environmental contaminants. The present work investigates the use of the most popular HRMS instruments, quadrupole time-of-flight and linear trap quadrupole-Orbitrap, from two different laboratories. A suspect screening for PIDs was carried out on wastewater (influent and effluent) and surface water samples from Castellón, Eastern Spain, and Cremona, Northern Italy, incorporating a database of 107 PIDs (including 220 fragment ions). A comparison between the findings of both instruments and of the samples was made which highlights the advantages and drawbacks of the strategies applied in each case. In total, 28 compounds were detected and/or identified by either/both instruments with irbesartan, valsartan, benzoylecgonine and caffeine being the most commonly found compounds across all samples.

Low-Frequency Microinstabilities in Rotating Tokamak Plasmas.

NASA Astrophysics Data System (ADS)

Artun, Mehmet

1994-01-01

Low-frequency drift-type microinstabilities have often been suggested as the leading candidates to account for the anomalously large transport; observed in tokamak plasmas. The effects of sheared equilibrium flows on this important class of instabilities is systematically investigated in the present thesis. In particular, the analysis is carried out in two parts. In order to gain some insight into the key elements of this problem, the first part deals with the stability properties of the kinetic ion temperature gradient mode under the influence of parallel and perpendicular shear flows in a simplified sheared magnetic slab geometry. The eigenmode analysis is performed using a shooting code for long-wavelength modes (k_|rho _{i} << 1), and an integral eigenmode code for short-wavelength modes (k_ |rho_{i} ~ 1). Numerical results are cross-checked with analytical estimates in the fluid regime. While the differential analysis is mostly limited to ground state modes of the system--due to the requirement that the average perpendicular wavenumber be small--the integral eigenmode code has been used to calculate higher radial eigenmodes with confidence. New features observed through the introduction of shear flows are discussed. In the second part we present the shear flow generalization of the nonlinear electromagnetic gyrokinetic equation for realistic toroidal geometry. In accordance with the most natural choice for such studies, the coordinate frame is chosen to be shifted in velocity space and unchanged in configuration space. The natural equilibrium constraints of the toroidal problem limits the choice of the flow profile to that in which the angular velocity is a function of the flux surface. The general form of the gyrokinetic equation obtained is then used to derive the two-dimensional linear electrostatic eigenmode equation in circular toroidal geometry including trapped particle effects. In addition to magnetic trapping, electrostatic and centrifugal trapping are also found to play an important role here. A modified version of a finite element code is utilized to analyze shear flow effects on the trapped ion mode (TIM) in the long wavelength limit. Numerical results for fully coupled as well as single poloidal harmonic cases are presented. Implications of the results obtained in the present investigation are discussed and suggestions are given for future studies.

Ion Dynamic Capture Experiments With The High Performance Antiproton Trap (HiPAT)

NASA Technical Reports Server (NTRS)

Martin, James; Lewis, Raymond; Chakrabarti, Suman; Sims, William H.; Pearson, J. Boise; Fant, Wallace E.

2002-01-01

To take the first step towards using the energy produced from the matter-antimatter annihilation for propulsion applications, the NASA Marshall Space Flight Center (MSFC) Propulsion Research Center (PRC) has initiated a research activity examining the storage of low energy antiprotons. The High Performance Antiproton Trap (HiPAT) is an electromagnetic system (Penning-Malmberg design) consisting of a 4 Tesla superconductor, a high voltage electrode confinement system, and an ultra high vacuum test section. It has been designed with an ultimate goal of maintaining 10(exp 12) charged particles with a half-life of 18 days. Currently, this system is being evaluated experimentally using normal matter ions that are cheap to produce, relatively easy to handle, and provide a good indication of overall trap behavior (with the exception of assessing annihilation losses). The ions are produced via a positive hydrogen ion source and transported to HiPAT in a beam line equipped with electrostatic optics. The optics serve to both focus and gate the incoming ions, providing microsecond-timed beam pulses that are dynamically captured by cycling the HiPAT forward containment field like a "trap door". Initial dynamic capture experiments have been successfully performed with beam energy and currents set to 1.9 kV and 23 micro-amps, respectively. At these settings up to 2x10(exp 9) ions have been trapped during a single dynamic cycle.

Efficient rotational cooling of Coulomb-crystallized molecular ions by a helium buffer gas.

PubMed

Hansen, A K; Versolato, O O; Kłosowski, L; Kristensen, S B; Gingell, A; Schwarz, M; Windberger, A; Ullrich, J; López-Urrutia, J R Crespo; Drewsen, M

2014-04-03

The preparation of cold molecules is of great importance in many contexts, such as fundamental physics investigations, high-resolution spectroscopy of complex molecules, cold chemistry and astrochemistry. One versatile and widely applied method to cool molecules is helium buffer-gas cooling in either a supersonic beam expansion or a cryogenic trap environment. Another more recent method applicable to trapped molecular ions relies on sympathetic translational cooling, through collisional interactions with co-trapped, laser-cooled atomic ions, into spatially ordered structures called Coulomb crystals, combined with laser-controlled internal-state preparation. Here we present experimental results on helium buffer-gas cooling of the rotational degrees of freedom of MgH(+) molecular ions, which have been trapped and sympathetically cooled in a cryogenic linear radio-frequency quadrupole trap. With helium collision rates of only about ten per second--that is, four to five orders of magnitude lower than in typical buffer-gas cooling settings--we have cooled a single molecular ion to a rotational temperature of 7.5(+0.9)(-0.7) kelvin, the lowest such temperature so far measured. In addition, by varying the shape of, or the number of atomic and molecular ions in, larger Coulomb crystals, or both, we have tuned the effective rotational temperature from about 7 kelvin to about 60 kelvin by changing the translational micromotion energy of the ions. The extremely low helium collision rate may allow for sympathetic sideband cooling of single molecular ions, and eventually make quantum-logic spectroscopy of buffer-gas-cooled molecular ions feasible. Furthermore, application of the present cooling scheme to complex molecular ions should enable single- or few-state manipulations of individual molecules of biological interest.

Selective passive adsorption of nitrate with surfactant treated porous electrode and electrostatic regeneration

NASA Astrophysics Data System (ADS)

Oyarzun, Diego I.; Hemmatifar, Ali; Palko, James W.; Stadermann, Michael; Santiago, Juan G.; Stanford microfluidics lab Team; Lawrence Livermore National Lab Team

2017-11-01

Nitrate is an important pollutant in drinking water worldwide, and a number of methods exist for the removal of nitrate from water including ion exchange and reverse osmosis. However, these approaches suffer from a variety of disadvantages including the need for a regenerating brine supply and disposal of used brine for ion exchange and low water recovery ratio for reverse osmosis. We are researching and developing a form of capacitive deionization (CDI) for energy efficient desalination and selective removal of ionic toxins from water. In CDI an electrode is used to electrostatically trap ions in a pair of porous electrodes. Here, we demonstrate the use of high surface area activated carbon electrodes functionalized with ion exchange moieties for adsorption of nitrate from aqueous solution. Unlike a traditional ion exchanger, the functionalized surfaces can be repeatedly regenerated by the application of an electrostatic potential which displaces the bound NO3- while leaving an excess of electronic charge on the electrode. Trimethylammonium has an intrinsic selectivity, we are using this moiety to selectively remove nitrate over chloride. We performed adsorption/desorption cycles under several desorption voltages and ratios of concentrations.

On the nature of kinetic electrostatic electron nonlinear (KEEN) waves

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

Dodin, I. Y.; Fisch, N. J.

2014-03-15

An analytical theory is proposed for the kinetic electrostatic electron nonlinear (KEEN) waves originally found in simulations by Afeyan et al. [arXiv:1210.8105]. We suggest that KEEN waves represent saturated states of the negative mass instability (NMI) reported recently by Dodin et al. [Phys. Rev. Lett. 110, 215006 (2013)]. Due to the NMI, trapped electrons form macroparticles that produce field oscillations at harmonics of the bounce frequency. At large enough amplitudes, these harmonics can phase-lock to the main wave and form stable nonlinear dissipationless structures that are nonstationary but otherwise similar to Bernstein-Greene-Kruskal modes. The theory explains why the formation ofmore » KEEN modes is sensitive to the excitation scenario and yields estimates that agree with the numerical results of Afeyan et al. A new type of KEEN wave may be possible at even larger amplitudes of the driving field than those used in simulations so far.« less

Front-end simulation of injector for terawatt accumulator.

PubMed

Kropachev, G N; Balabin, A I; Kolomiets, A A; Kulevoy, T V; Pershin, V I; Shumshurov, A V

2008-02-01

A terawatt accumulator (TWAC) accelerator/storage ring complex with the laser ion source is in progress at ITEP. The new injector I4 based on the radio frequency quadrupole (RFQ) and interdigital H-mode (IH) linear accelerator is under construction. The front end of the new TWAC injector consists of a laser ion source, an extraction system, and a low energy beam transport (LEBT). The KOBRA3-INP was used for the simulation and optimization of the ion source extraction system. The optimization parameter is the maximum brightness of the beam generated by the laser ion source. Also the KOBRA3-INP code was used for LEBT investigation. The LEBT based on electrostatic grid lenses is chosen for injector I4. The results of the extraction system and LEBT investigations for ion beam matching with RFQ are presented.

Design of the low energy beam transport line for the China spallation neutron source

NASA Astrophysics Data System (ADS)

Li, Jin-Hai; Ouyang, Hua-Fu; Fu, Shi-Nian; Zhang, Hua-Shun; He, Wei

2008-03-01

The design of the China Spallation Neutron Source (CSNS) low-energy beam transport (LEBT) line, which locates between the ion source and the radio-frequency quadrupole (RFQ), has been completed with the TRACE3D code. The design aims at perfect matching, primary chopping, a small emittance growth and sufficient space for beam diagnostics. The line consists of three solenoids, three vacuum chambers, two steering magnets and a pre-chopper. The total length of LEBT is about 1.74 m. This LEBT is designed to transfer 20 mA of H-pulsed beam from the ion source to the RFQ. An induction cavity is adopted as the pre-chopper. The electrostatic octupole steerer is discussed as a candidate. A four-quadrant aperture for beam scraping and beam position monitoring is designed.

Heavy-Ion Injector for the High Current Experiment

NASA Astrophysics Data System (ADS)

Bieniosek, F. M.; Henestroza, E.; Kwan, J. W.; Prost, L.; Seidl, P.

2001-10-01

We report on progress in development of the Heavy-Ion Injector at LBNL, which is being prepared for use as an injector for the High Current Experiment (HCX). It is composed of a 10-cm-diameter surface ionization source, an extraction diode, and an electrostatic quadrupole (ESQ) accelerator, with a typical operating current of 0.6 A of potassium ions at 1.8 MeV, and a beam pulse length of 4.5 microsecs. We have improved the Injector equipment and diagnostics, and have characterized the source emission and radial beam profiles at the diode and ESQ regions. We find improved agreement with EGUN predictions, and improved compatibility with the downstream matching section. Plans are to attach the matching section and the initial ESQ transport section of HCX. Results will be presented and compared with EGUN and WARP simulations.

Comparison between the effects of positive noncatastrophic HMB ESD stress in n-channel and p-channel power MOSFET's

NASA Astrophysics Data System (ADS)

Zupac, Dragan; Kosier, Steven L.; Schrimpf, Ronald D.; Galloway, Kenneth F.; Baum, Keith W.

1991-10-01

The effect of noncatastrophic positive human body model (HBM) electrostatic discharge (ESD) stress on n-channel power MOSFETs is radically different from that on p-channel MOSFETs. In n-channel transistors, the stress causes negative shifts of the current-voltage characteristics indicative of positive charge trapping in the gate oxide. In p-channel transistors, the stress increases the drain-to-source leakage current, probably due to localized avalanche electron injection from the p-doped drain.

Electrostatic trapping as a key to the dynamics of plasmas, fluids and other collective systems [review article

NASA Astrophysics Data System (ADS)

Luque, A.; Schamel, H.

2005-08-01

This review article focusses on the phenomenon of collective particle trapping in dilute plasmas and related fluid-like systems. A coherent electrostatic wave or fluctuation, being excited by some mechanism in a plasma, is able to trap collectively charged particles in its potential trough(s) with the ultimate feedback of stabilizing and manipulating the original cause of growth. This phenomenon is well-known from particle simulations of a current-driven two-stream instability and its subsequent quenching by particle trapping. But also the nonlinear Landau damping process resulting in a BGK-like (Bernstein, Green, Kruskal) trapped particle mode sets an example. However, as shown in this report, already a slightly driven plasma has many possibilities of generating trapped particle modes-the mentioned cases representing only two examples-through which it generally becomes nonlinearly unstable. A direct consequence of this feedback of particle trapping is that the macroscopic (dielectric) properties of such a structured plasma may have changed fundamentally such that the relationship to what is known from linear wave theory is lost. We, hence, have to deal with a nonlinear kinetic description which, in case of a collisionless, electrostatic plasma, is the Vlasov-Poisson description. The present report is devoted to a large extent to a 1D Vlasov-Poisson system but also consequences for other physical systems will be derived and mentioned. These and other findings will be developed in some detail culminating in a new paradigm for plasma stability which says: a current-carrying plasma is nonlinearly unstable in a much wider region of parameter space than predicted by linear wave theory with the consequence that the associated turbulence and anomalous transport are triggered much easier than suggested by standard linear wave analysis. Responsible for this new scenario are localized trapped particle modes-more specifically electron and ion holes of zero or negative energy-which are found to be excited well below the threshold of linear instability. In other words, a current-driven plasma shows a much larger sensibility to fluctuations than thought before and described in textbooks. The analysis presented reveals that a plasma, becoming structured by the generation of such modes, resides in a lower free energy state than the one without structures, being therefore in a preferred state that acts as an attractor in the system. Holes having this property will be briefly called negative energy holes (NEHs). For example, zero or negative energy ion holes are found to exist for any drift velocity between electrons and ions and for any temperature ratio. Two independent codes, a Vlasov-code and a PIC-(particle in cell)code, are used to approve this new scenario of instability. Moreover, by adding a Fokker-Planck collision term to the Vlasov-code, holes are shown to resist weak collisions, turn out to be robust and not only found in purely collisionless plasmas and cause an increase of resistivity. A natural outcome of this scenario, therefore, is that whenever free (kinetic) energy is available, holes (and double layers) are necessarily excited, penetrating intermittently the plasma. Satellite measurements, yielding holes and double layers as the most omnipresent structures found in space, provide a typical example. Having investigated classical plasmas this way, we show that many of these innovations can be transferred to other systems, as well. First, we perform a quantum-correction to electron holes by using the Wigner-Moyal description of quantum mechanics in phase-space. As a result we get a weakening of the hole for which tunneling of particles across the separatrix of the unperturbed, deterministic classical hole equilibrium is responsible. The formalism is then used to find a link between hole structures in classical plasmas and envelope solitons in nonlinear optical media. This gives rise to a new approximation method for wave envelope solutions of the nonlinear Schrödinger equation, which utilizes quasi-particle trapping and may be valuable in cases of nonlinearties for which a direct solution is missing. Another important application are particle beams in circular accelerators and storage rings. We prove analytically the existence of localized and periodic structures in coasting beams, as have been found experimentally for instance at Fermilab and at CERN, which are quite analogous to holes in classical plasmas. We also present an improved criterion for focusing. For bunched beams we describe and apply an iterative numerical procedure to find solitary hump and hole structures superimposed on the particle bunch, the former of which having been found recently in the Relativistic Hadron-Ion Collider (RHIC) at Brookhaven. Finally, we stress the mathematical equivalence between the 1D Vlasov-Poisson system and the equations describing a 2D incompressible, ideal fluid or the perpendicular dynamics of a strongly magnetized plasma in fluid or MHD approximation and other more complex fluids, such as rotating fluids, inhomogeneous plasmas, etc. This implies that tiny fluid elements trapped in coherent patches of shear flow motion, such as in secondary (tertiary) states that govern the transition to turbulence in ordinary hydrodynamics, do play a similar role than trapped particles in electrostatic waves, violating any linear wave ansatz. Or, said in different words, whenever a continues spectrum arises in a linearized fluid-like system associated with singular perturbations and a resonance between (quasi-)particles and the field, one has to consider this as a hint that the neglect of nonlinearity is not justified and that nonlinear wave solutions have to be taken into account in describing the evolution of the system correctly. This statement holds true already at an infinitesimal energy level of the coherent perturbations. Nonlinearity, and with it trapping structures, turns out to be a necessary requisite in all stages of the dynamical evolution not only at finite wave amplitudes, as commonly believed. In conclusion, in this report we emphasize the importance of collective trapping in (nearly) ideal plasmas and related systems bringing in at any level of wave activity a fundamental nonlinearity which is missed in standard linear wave theories as described in textbooks. The associated trapped particle modes challenge standard flow theories playing a key role in the interpretation of turbulence and anomalous transport.

Theory of type 3b solar radio bursts. [plasma interaction and electron beams

NASA Technical Reports Server (NTRS)

Smith, R. A.; Delanoee, J.

1975-01-01

During the initial space-time evolution of an electron beam injected into the corona, the strong beam-plasma interaction occurs at the head of the beam, leading to the amplification of a quasi-monochromatic large-amplitude plasma wave that stabilizes by trapping the beam particles. Oscillation of the trapped particles in the wave troughs amplifies sideband electrostatic waves. The sidebands and the main wave subsequently decay to observable transverse electromagnetic waves through the parametric decay instability. This process gives rise to the elementary striation bursts. Owing to velocity dispersion in the beam and the density gradient of the corona, the entire process may repeat at a finite number of discrete plasma levels, producing chains of elementary bursts. All the properties of the type IIIb bursts are accounted for in the context of the theory.

Compact modeling of total ionizing dose and aging effects in MOS technologies

DOE PAGES

Esqueda, Ivan S.; Barnaby, Hugh J.; King, Michael Patrick

2015-06-18

This paper presents a physics-based compact modeling approach that incorporates the impact of total ionizing dose (TID) and stress-induced defects into simulations of metal-oxide-semiconductor (MOS) devices and integrated circuits (ICs). This approach utilizes calculations of surface potential (ψs) to capture the charge contribution from oxide trapped charge and interface traps and to describe their impact on MOS electrostatics and device operating characteristics as a function of ionizing radiation exposure and aging effects. The modeling approach is demonstrated for bulk and silicon-on-insulator (SOI) MOS device. The formulation is verified using TCAD simulations and through the comparison of model calculations and experimentalmore » I-V characteristics from irradiated devices. The presented approach is suitable for modeling TID and aging effects in advanced MOS devices and ICs.« less

Superthermal Electron Magnetosphere-Ionosphere Coupling in the Diffuse Aurora in the Presence of ECH Waves

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Tripathi, A. K.; Singhal, R. P.; Himwich, Elizabeth; Glocer, A.; Sibeck, D. G.

2015-01-01

There are two main theories for the origin of the diffuse auroral electron precipitation: first, pitch angle scattering by electrostatic electron cyclotron harmonic (ECH) waves, and second, by whistler mode waves. Precipitating electrons initially injected from the plasma sheet to the loss cone via wave-particle interaction processes degrade in the atmosphere toward lower energies and produce secondary electrons via impact ionization of the neutral atmosphere. These secondary electrons can escape back to the magnetosphere, become trapped on closed magnetic field lines, and deposit their energy back to the inner magnetosphere. ECH and whistler mode waves can also move electrons in the opposite direction, from the loss cone into the trap zone, if the source of such electrons exists in conjugate ionospheres located at the same field lines as the trapped magnetospheric electron population. Such a situation exists in the simulation scenario of superthermal electron energy interplay in the region of diffuse aurora presented and discussed by Khazanov et al. (2014) and will be quantified in this paper by taking into account the interaction of secondary electrons with ECH waves.

Description of the prototype diagnostic residual gas analyzer for ITER.

PubMed

Younkin, T R; Biewer, T M; Klepper, C C; Marcus, C

2014-11-01

The diagnostic residual gas analyzer (DRGA) system to be used during ITER tokamak operation is being designed at Oak Ridge National Laboratory to measure fuel ratios (deuterium and tritium), fusion ash (helium), and impurities in the plasma. The eventual purpose of this instrument is for machine protection, basic control, and physics on ITER. Prototyping is ongoing to optimize the hardware setup and measurement capabilities. The DRGA prototype is comprised of a vacuum system and measurement technologies that will overlap to meet ITER measurement requirements. Three technologies included in this diagnostic are a quadrupole mass spectrometer, an ion trap mass spectrometer, and an optical penning gauge that are designed to document relative and absolute gas concentrations.

Simulating Chiral Magnetic and Separation Effects with Spin-Orbit Coupled Atomic Gases

PubMed Central

Huang, Xu-Guang

2016-01-01

The chiral magnetic and chiral separation effects—quantum-anomaly-induced electric current and chiral current along an external magnetic field in parity-odd quark-gluon plasma—have received intense studies in the community of heavy-ion collision physics. We show that analogous effects occur in rotating trapped Fermi gases with Weyl-Zeeman spin-orbit coupling where the rotation plays the role of an external magnetic field. These effects can induce a mass quadrupole in the atomic cloud along the rotation axis which may be tested in future experiments. Our results suggest that the spin-orbit coupled atomic gases are potential simulators of the chiral magnetic and separation effects. PMID:26868084

Surface effects in the unitary Fermi gas

NASA Astrophysics Data System (ADS)

Salasnich, L.; Ancilotto, F.; Toigo, F.

2010-01-01

We study the extended Thomas-Fermi (ETF) density functional of the superfluid unitary Fermi gas. This functional includes a gradient term which is essential to describe accurately the surface effects of the system, in particular with a small number of atoms, where the Thomas-Fermi (local density) approximation fails. We find that our ETF functional gives density profiles which are in good agreement with recent Monte Carlo results and also with a more sophisticated superfluid density functional based on Bogoliubov-de Gennes equations. In addition, by using extended hydrodynamics equations of superfluids, we calculate the frequencies of collective surface oscillations of the unitary Fermi gas, showing that quadrupole and octupole modes strongly depend on the number of trapped atoms.

Mass spectrometry analysis of terpene lactones in Ginkgo biloba.

PubMed

Ding, Shujing; Dudley, Ed; Song, Qingbao; Plummer, Sue; Tang, Jiandong; Newton, Russell P; Brenton, A Gareth

2008-01-01

Terpene lactones are a family of compounds with unique chemical structures, first recognised in an extract of Ginkgo biloba. The discovery of terpene lactone derivatives has recently been reported in more and more plant extracts and even food products. In this study, mass spectrometric characteristics of the standard terpene lactones in Ginkgo biloba were comprehensively studied using both an ion trap and a quadrupole time-of-flight (QTOF) mass spectrometer. The mass spectral fragmentation data from both techniques was compared to obtain the mass spectrometric fragmentation pathways of the terpene lactones with high confidence. The data obtained will facilitate the analysis and identification of terpene lactones in future plant research via the fragmentation knowledge reported here.

TITAN's multiple-reflection time-of-flight isobar separator

NASA Astrophysics Data System (ADS)

Reiter, Moritz Pascal; Titan Collaboration

2016-09-01

At the ISAC facility located at TRIUMF exotic nuclei are produced by the ISOL method. Exotic nuclei are separated by a magnetic separator and transported to TRIUMF's Ion Trap for Atomic and Nuclear science (TITAN). TITAN is a system of multiple ion traps for high precision mass measurements and in-trap decay spectroscopy. Although ISAC can deliver some of the highest yields for even many of the most exotic species many measurements suffer from a strong isobaric background. This background often prevents the high precision measurement of the species of interest. To overcome this limitation an additional isobar separator based on the Multiple-Reflection Time-Of-Flight Mass Spectrometry (MR-TOF-MS) technique has been developed for TITAN. Mass selection is achieved using dynamic re-trapping of the species of interest after a time-of-flight analysis in an electrostatic isochronous reflector system. Additionally the MR-TOF-MS will, on its own, enable mass measurements of very short-lived nuclides that are weakly produced. Being able to measure all isobars of a given mass number at the same time the MR-TOF-MS can be used for beam diagnostics or determination of beam compositions. Results from the offline commissioning showing mass resolving power and separation power will be presented.

Electron holes in inhomogeneous magnetic field: Electron heating and electron hole evolution

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

Vasko, I. Y.; Space Research Institute of Russian Academy of Science, Moscow; Agapitov, O. V.

Electron holes are electrostatic non-linear structures widely observed in the space plasma. In the present paper, we analyze the process of energy exchange between electrons trapped within electron hole, untrapped electrons, and an electron hole propagating in a weakly inhomogeneous magnetic field. We show that as the electron hole propagates into the region with stronger magnetic field, trapped electrons are heated due to the conservation of the first adiabatic invariant. At the same time, the electron hole amplitude may increase or decrease in dependence on properties of distribution functions of trapped and untrapped resonant electrons. The energy gain of trappedmore » electrons is due to the energy losses of untrapped electrons and/or decrease of the electron hole energy. We stress that taking into account the energy exchange with untrapped electrons increases the lifetime of electron holes in inhomogeneous magnetic field. We illustrate the suggested mechanism for small-amplitude Schamel's [Phys. Scr. T2, 228–237 (1982)] electron holes and show that during propagation along a positive magnetic field gradient their amplitude should grow. Neglect of the energy exchange with untrapped electrons would result in the electron hole dissipation with only modest heating factor of trapped electrons. The suggested mechanism may contribute to generation of suprathermal electron fluxes in the space plasma.« less

Paleogene stratigraphy of the Solomons Island, Maryland corehole

USGS Publications Warehouse

Gibson, Thomas G.; Bybell, Laurel M.

1994-01-01

Purge and trap capillary gas chromatography/mass spectrometry is a rapid, precise, accurate method for determining volatile organic compounds in samples of surface water and ground water. The method can be used to determine 59 selected compounds, including chlorofluorohydrocarbons, aromatic hydrocarbons, and halogenated hydrocarbons. The volatile organic compounds are removed from the sample matrix by actively purging the sample with helium. The volatile organic compounds are collected onto a sorbant trap, thermally desorbed, separated by a Megabore gas chromatographic capillary column, ionized by electron impact, and determined by a full-scan quadrupole mass spectrometer. Compound identification is confirmed by the gas chromatographic retention time and by the resultant mass spectrum. Unknown compounds detected in a sample can be tentatively identified by comparing the unknown mass spectrum to reference spectra in the mass-spectra computer-data system library compiled by the National Institute of Standards and Technology. Method detection limits for the selected compounds range from 0.05 to 0.2 microgram per liter. Recoveries for the majority of the selected compounds ranged from 80 to 120 percent, with relative standard deviations of less than 10 percent.

Miniaturized system of a gas chromatograph coupled with a Paul ion trap mass spectrometer

NASA Technical Reports Server (NTRS)

Shortt, B. J.; Darrach, M. R.; Holland, Paul M.; Chutjian, A.

2005-01-01

Miniature gas chromatography (GC) and miniature mass spectrometry (MS) instrumentation has been developed to identify and quantify the chemical compounds present in complex mixtures of gases. The design approach utilizes micro-GC components coupled with a Paul quadrupole ion trap (QIT) mass spectrometer. Inherent to the system are high sensitivity, good dynamic range, good QIT resolution, low GC flow-rates to minimize vacuum requirements and the need for consumables; and the use of a modular approach to adapt to volatile organic compounds dissolved in water or present in sediment. Measurements are reported on system response to gaseous species at concentrations varying over four orders of magnitude. The ability of the system to deal with complicated mixtures is demonstrated, and future improvements are discussed. The GC/QIT system described herein has a mass, volume and power that are, conservatively, one-twentieth of those of commercial off-the-shelf systems. Potential applications are to spacecraft cabin-air monitoring, robotic planetary exploration and trace-species detection for residual gas analysis and environmental monitoring.

Recent Advances in Water Analysis with Gas Chromatograph Mass Spectrometers

NASA Technical Reports Server (NTRS)

MacAskill, John A.; Tsikata, Edem

2014-01-01

We report on progress made in developing a water sampling system for detection and analysis of volatile organic compounds in water with a gas chromatograph mass spectrometer (GCMS). Two approaches are described herein. The first approach uses a custom water pre-concentrator for performing trap and purge of VOCs from water. The second approach uses a custom micro-volume, split-splitless injector that is compatible with air and water. These water sampling systems will enable a single GC-based instrument to analyze air and water samples for VOC content. As reduced mass, volume, and power is crucial for long-duration, manned space-exploration, these water sampling systems will demonstrate the ability of a GCMS to monitor both air and water quality of the astronaut environment, thereby reducing the amount of required instrumentation for long duration habitation. Laboratory prototypes of these water sampling systems have been constructed and tested with a quadrupole ion trap mass spectrometer as well as a thermal conductivity detector. Presented herein are details of these water sampling system with preliminary test results.

A novel trapping system for the detection of reactive drug metabolites using the fungus Cunninghamella elegans and high resolution mass spectrometry.

PubMed

Rydevik, Axel; Hansson, Annelie; Hellqvist, Anna; Bondesson, Ulf; Hedeland, Mikael

2015-07-01

A new model is presented that can be used to screen for bioactivation of drugs. The evaluation of toxicity is an important step in the development of new drugs. One way to detect possible toxic metabolites is to use trapping agents such as glutathione. Often human liver microsomes are used as a metabolic model in initial studies. However, there is a need for alternatives that are easy to handle, cheap, and can produce large amounts of metabolites. In the presented study, paracetamol, mefenamic acid, and diclofenac, all known to form reactive metabolites in humans, were incubated with the fungus Cunninghamella elegans and the metabolites formed were characterized with ultra high performance liquid chromatography coupled to a quadrupole time of flight mass spectrometer. Interestingly, glutathione conjugates formed by the fungus were observed for all three drugs and their retention times and MS/MS spectra matched those obtained in a comparative experiment with human liver microsomes. These findings clearly demonstrated that the fungus is a suitable trapping model for toxic biotransformation products. Cysteine conjugates of all three test drugs were also observed with high signal intensities in the fungal incubates, giving the model a further indicator of drug bioactivation. To our knowledge, this is the first demonstration of the use of a fungal model for the formation and trapping of reactive drug metabolites. The investigated model is cheap, easy to handle, it does not involve experimental animals and it can be scaled up to produce large amounts of metabolites. Copyright © 2014 John Wiley & Sons, Ltd.

Ozone-Induced Dissociation of Conjugated Lipids Reveals Significant Reaction Rate Enhancements and Characteristic Odd-Electron Product Ions

NASA Astrophysics Data System (ADS)

Pham, Huong T.; Maccarone, Alan T.; Campbell, J. Larry; Mitchell, Todd W.; Blanksby, Stephen J.

2013-02-01

Ozone-induced dissociation (OzID) is an alternative ion activation method that relies on the gas phase ion-molecule reaction between a mass-selected target ion and ozone in an ion trap mass spectrometer. Herein, we evaluated the performance of OzID for both the structural elucidation and selective detection of conjugated carbon-carbon double bond motifs within lipids. The relative reactivity trends for [M + X]+ ions (where X = Li, Na, K) formed via electrospray ionization (ESI) of conjugated versus nonconjugated fatty acid methyl esters (FAMEs) were examined using two different OzID-enabled linear ion-trap mass spectrometers. Compared with nonconjugated analogues, FAMEs derived from conjugated linoleic acids were found to react up to 200 times faster and to yield characteristic radical cations. The significantly enhanced reactivity of conjugated isomers means that OzID product ions can be observed without invoking a reaction delay in the experimental sequence (i.e., trapping of ions in the presence of ozone is not required). This possibility has been exploited to undertake neutral-loss scans on a triple quadrupole mass spectrometer targeting characteristic OzID transitions. Such analyses reveal the presence of conjugated double bonds in lipids extracted from selected foodstuffs. Finally, by benchmarking of the absolute ozone concentration inside the ion trap, second order rate constants for the gas phase reactions between unsaturated organic ions and ozone were obtained. These results demonstrate a significant influence of the adducting metal on reaction rate constants in the fashion Li > Na > K.

Simulation and optimization of a 10 A electron gun with electrostatic compression for the electron beam ion source.

PubMed

Pikin, A; Beebe, E N; Raparia, D

2013-03-01

Increasing the current density of the electron beam in the ion trap of the Electron Beam Ion Source (EBIS) in BNL's Relativistic Heavy Ion Collider facility would confer several essential benefits. They include increasing the ions' charge states, and therefore, the ions' energy out of the Booster for NASA applications, reducing the influx of residual ions in the ion trap, lowering the average power load on the electron collector, and possibly also reducing the emittance of the extracted ion beam. Here, we discuss our findings from a computer simulation of an electron gun with electrostatic compression for electron current up to 10 A that can deliver a high-current-density electron beam for EBIS. The magnetic field in the cathode-anode gap is formed with a magnetic shield surrounding the gun electrodes and the residual magnetic field on the cathode is (5 ÷ 6) Gs. It was demonstrated that for optimized gun geometry within the electron beam current range of (0.5 ÷ 10) A the amplitude of radial beam oscillations can be maintained close to 4% of the beam radius by adjusting the injection magnetic field generated by a separate magnetic coil. Simulating the performance of the gun by varying geometrical parameters indicated that the original gun model is close to optimum and the requirements to the precision of positioning the gun elements can be easily met with conventional technology.

Simulation and optimization of a 10 A electron gun with electrostatic compression for the electron beam ion source

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

Pikin, A.; Beebe, E. N.; Raparia, D.

Increasing the current density of the electron beam in the ion trap of the Electron Beam Ion Source (EBIS) in BNL's Relativistic Heavy Ion Collider facility would confer several essential benefits. They include increasing the ions' charge states, and therefore, the ions' energy out of the Booster for NASA applications, reducing the influx of residual ions in the ion trap, lowering the average power load on the electron collector, and possibly also reducing the emittance of the extracted ion beam. Here, we discuss our findings from a computer simulation of an electron gun with electrostatic compression for electron current upmore » to 10 A that can deliver a high-current-density electron beam for EBIS. The magnetic field in the cathode-anode gap is formed with a magnetic shield surrounding the gun electrodes and the residual magnetic field on the cathode is (5 Division-Sign 6) Gs. It was demonstrated that for optimized gun geometry within the electron beam current range of (0.5 Division-Sign 10) A the amplitude of radial beam oscillations can be maintained close to 4% of the beam radius by adjusting the injection magnetic field generated by a separate magnetic coil. Simulating the performance of the gun by varying geometrical parameters indicated that the original gun model is close to optimum and the requirements to the precision of positioning the gun elements can be easily met with conventional technology.« less

Determining Energies and Cross Sections of Individual Ions Using Higher-Order Harmonics in Fourier Transform Charge Detection Mass Spectrometry (FT-CDMS)

NASA Astrophysics Data System (ADS)

Harper, Conner C.; Elliott, Andrew G.; Lin, Haw-Wei; Williams, Evan R.

2018-06-01

A general method for in situ measurements of the energy of individual ions trapped and weighed using charge detection mass spectrometry (CDMS) is described. Highly charged (> 300 e), individual polyethylene glycol (PEG) ions are trapped and oscillate within an electrostatic trap, producing a time domain signal. A segmented Fourier transform (FT) of this signal yields the temporal evolution of the fundamental and harmonic frequencies of ion motion throughout the 500-ms trap time. The ratio of the fundamental frequency and second harmonic (HAR) depends on the ion energy, which is an essential parameter for measuring ion mass in CDMS. This relationship is calibrated using simulated ion signals, and the calibration is compared to the HAR values measured for PEG ion signals where the ion energy was also determined using an independent method that requires that the ions be highly charged (> 300 e). The mean error of 0.6% between the two measurements indicates that the HAR method is an accurate means of ion energy determination that does not depend on ion size or charge. The HAR is determined dynamically over the entire trapping period, making it possible to observe the change in ion energy that takes place as solvent evaporates from the ion and collisions with background gas occur. This method makes it possible to measure mass changes, either from solvent evaporation or from molecular fragmentation (MSn), as well as the cross sections of ions measured using CDMS.

Piezoelectrically-induced trap-depth reduction model of elastico-mechanoluminescent materials

NASA Astrophysics Data System (ADS)

Chandra, B. P.; Chandra, V. K.; Jha, Piyush

2015-03-01

Considering the detrapping of charge carriers due to reduction in trap-depth caused by piezoelectric field produced by applied pressure, an expression is derived for the detrapping rate of electrons. Then, an expression is obtained for the rate of generation of excited ions produced during capture of detrapped electrons by Eu3+ ions in persistent luminescent materials or by the energy released during electron-hole recombination in ZnS:Mn crystals. Finally, an expression is explored for the elastico-mechanoluminescence (EML) intensity, which is able to explain satisfactorily the characteristics of EML for the application of static pressure as well as for impact pressure. The total number of detrapped electrons and the total EML intensity are found to increase linearly with the electrostatic energy of the crystals in piezoelectric field. It is shown that the EML intensity should increase with the EML efficiency, number of crystallites (volume of sample), concentration of local piezoelectric regions in crystallites, piezoelectric constant of local piezoelectric regions, average length of the local piezoelectric regions, total number of electron traps, pressing rate, and applied pressure, and it should be higher for the materials having low value of threshold pressure and low value of trap-depth in unstressed condition. On the basis of the piezoelectrically-induced trap-depth reduction model of EML reported in the present investigation novel intense elastico mechanoluminescent materials having repetitive EML with undiminished intensity for successive loadings can be tailored which may find applications in sensing, imaging, lighting, colored displays, and other mechano-optical devices.

Proteomics: from hypothesis to quantitative assay on a single platform. Guidelines for developing MRM assays using ion trap mass spectrometers.

PubMed

Han, Bomie; Higgs, Richard E

2008-09-01

High-throughput HPLC-mass spectrometry (HPLC-MS) is routinely used to profile biological samples for potential protein markers of disease, drug efficacy and toxicity. The discovery technology has advanced to the point where translating hypotheses from proteomic profiling studies into clinical use is the bottleneck to realizing the full potential of these approaches. The first step in this translation is the development and analytical validation of a higher throughput assay with improved sensitivity and selectivity relative to typical profiling assays. Multiple reaction monitoring (MRM) assays are an attractive approach for this stage of biomarker development given their improved sensitivity and specificity, the speed at which the assays can be developed and the quantitative nature of the assay. While the profiling assays are performed with ion trap mass spectrometers, MRM assays are traditionally developed in quadrupole-based mass spectrometers. Development of MRM assays from the same instrument used in the profiling analysis enables a seamless and rapid transition from hypothesis generation to validation. This report provides guidelines for rapidly developing an MRM assay using the same mass spectrometry platform used for profiling experiments (typically ion traps) and reviews methodological and analytical validation considerations. The analytical validation guidelines presented are drawn from existing practices on immunological assays and are applicable to any mass spectrometry platform technology.

[Rapid screening and confirmation of 205 pesticide residues in rice by QuEChERS and liquid chromatography-mass spectrometry].

PubMed

Chen, Xi; Cheng, Lei; Qu, Shichao; Huang, Daliang; Liu, Jiacheng; Cui, Han; Jia, Yanbo; Ji, Mingshan

2015-10-01

A method for rapid screening and confirmation of 205 pesticide residues in rice was developed by combining QuEChERS and high performance liquid chromatography-triple quadrupole-linear ion trap mass spectrometry (LC-Q-TRAP/MS). The rice samples were extracted with acetonitrile, and then cleaned up with primary secondary amine (PSA), anhydrous magnesium sulfate (MgSO4) and C18 adsorbent. Finally, the samples were detected by LC-Q-TRAP/MS in multiple reaction monitoring with information-dependent acquisition of enhanced product ion (MRM-IDA-EPI) mode followed with database searching. A total of 205 pesticide residues were confirmed by retention times, ion pairs and the database searching using EPI library, and quantified by external standard method. All the pesticides showed good linearities with linear correlation coefficients all above 0.995. The limits of quantification (LOQs) for the 205 pesticides were 0.5-10.0 μg/kg. The average recoveries of the 205 pesticides ranged from 62.4% to 127.1% with the relative standard deviations (RSDs) of 1.0% - 20.0% at spiked levels of 10 μg/kg and 50 μg/kg, and only 20 min were needed for the analysis of an actual rice sample. In brief, the method is fast, accurate and highly sensitive, and is suitable for the screening and confirmation of pesticide residues in rice.

Development of extractive electrospray ionization ion trap mass spectrometry for in vivo breath analysis.

PubMed

Ding, Jianhua; Yang, Shuiping; Liang, Dapeng; Chen, Huanwen; Wu, Zhuanzhang; Zhang, Lili; Ren, Yulin

2009-10-01

In metabolomics studies and clinical diagnosis, interest is increasing in the rapid analysis of exhaled breath. In vivo breath analysis offers a unique, unobtrusive, non-invasive method of investigating human metabolism. To analyze breath in vivo, we constructed a novel platform of extractive electrospray ionization (EESI) ion trap mass spectrometry (ITMS) using a home-made EESI source coupled to a linear trap quadrupole mass spectrometer. A reference compound (authentic n-octyl amine) was used to evaluate effects of systematically varying selected characteristics of the EESI source on signal intensity. Under the optimized working conditions, metabolic changes of human bodies were in vivo followed by performing rapid breath analysis using the multi-stage EESI-ITMS tandem mass spectrometry platform. For nicotine, a limit of determination was found to be 0.05 fg mL(-1) (S/N = 3, RSD = 5.0 %, n = 10) for nicotine in aerosol standard samples; the dynamic response range was from 0.0155 pg mL(-1) to 155 pg mL(-1). The concentration of nicotine in the exhaled breath of a regular smoker was in vivo determined to be 5.8 pg mL(-1), without any sample pre-treatment. Our results show that EESI-ITMS is a powerful analytical platform to provide high sensitivity, high specificity and high throughput for semi-quantitative analysis of complex samples in life science, particularly for in vivo metabolomics studies.

Detection and Structural Characterization of Nucleophiles Trapped Reactive Metabolites of Limonin Using Liquid Chromatography-Mass Spectrometry

PubMed Central

Deng, Yujie; Fu, Yudong; Xu, Shumin; Wang, Ping; Yang, Nailong; Li, Chengqian

2018-01-01

Limonin (LIM), a furan-containing limonoid, is one of the most abundant components of Dictamnus dasycarpus Turcz. Recent studies demonstrated that LIM has great potential for inhibiting the activity of drug-metabolizing enzymes. However, the mechanisms of LIM-induced enzyme inactivation processes remain unexplored. The main objective of this study was to identify the reactive metabolites of LIM using liquid chromatography-mass spectrometry. Three nucleophiles, glutathione (GSH), N-acetyl cysteine (NAC), and N-acetyl lysine (NAL), were used to trap the reactive metabolites of LIM in in vitro and in vivo models. Two different types of mass spectrometry, a hybrid quadrupole time-of-flight (Q-TOF) mass spectrometry and a LTQ velos Pro ion trap mass spectrometry, were employed to acquire structural information of nucleophile adducts of LIM. In total, six nucleophile adducts of LIM (M1–M6) with their isomers were identified; among them, M1 was a GSH and NAL conjugate of LIM, M2–M4 were glutathione adducts of LIM, M5 was a NAC and NAL conjugate of LIM, and M6 was a NAC adduct of LIM. Additionally, CYP3A4 was found to be the key enzyme responsible for the bioactivation of limonin. This metabolism study largely facilitates the understanding of mechanisms of limonin-induced enzyme inactivation processes. PMID:29850372

Production of cold beams of ND{sub 3} with variable rotational state distributions by electrostatic extraction of He and Ne buffer-gas-cooled beams

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

Twyman, Kathryn S.; Bell, Martin T.; Heazlewood, Brianna R.

2014-07-14

The measurement of the rotational state distribution of a velocity-selected, buffer-gas-cooled beam of ND{sub 3} is described. In an apparatus recently constructed to study cold ion-molecule collisions, the ND{sub 3} beam is extracted from a cryogenically cooled buffer-gas cell using a 2.15 m long electrostatic quadrupole guide with three 90° bends. (2+1) resonance enhanced multiphoton ionization spectra of molecules exiting the guide show that beams of ND{sub 3} can be produced with rotational state populations corresponding to approximately T{sub rot} = 9–18 K, achieved through manipulation of the temperature of the buffer-gas cell (operated at 6 K or 17 K),more » the identity of the buffer gas (He or Ne), or the relative densities of the buffer gas and ND{sub 3}. The translational temperature of the guided ND{sub 3} is found to be similar in a 6 K helium and 17 K neon buffer-gas cell (peak kinetic energies of 6.92(0.13) K and 5.90(0.01) K, respectively). The characterization of this cold-molecule source provides an opportunity for the first experimental investigations into the rotational dependence of reaction cross sections in low temperature collisions.« less

Analysis of polar organic contaminants in surface water of the northern Adriatic Sea by solid-phase extraction followed by ultrahigh-pressure liquid chromatography-QTRAP® MS using a hybrid triple-quadrupole linear ion trap instrument.

PubMed

Loos, Robert; Tavazzi, Simona; Paracchini, Bruno; Canuti, Elisabetta; Weissteiner, Christof

2013-07-01

Water-soluble polar organic contaminants are discharged by rivers, cities, and ships into the oceans. Little is known on the fate, pollution effects, and thresholds of toxic chemical mixtures in the marine environment. A new trace analytical method was developed for the multi-compound analysis of polar organic chemical contaminants in marine waters. The method is based on automated solid-phase extraction (SPE) of one-liter water samples followed by ultrahigh-pressure liquid chromatography triple-quadrupole linear ion-trap mass spectrometry (UHPLC-QTRAP(®) MS). Marine water samples from the open Adriatic Sea taken 16 km offshore from Venice (Italy) were analyzed. Method limits of quantification (LOQs) in the low picogram per liter (pg/l) concentration range were achieved. Among the 67 target chemicals analyzed, 45 substances could be detected above the LOQ. The chemicals detected at the highest concentrations were caffeine (up to 367 ng/l), nitrophenol (36 ng/l), 2,4-dinitrophenol (34 ng/l), 5-methyl-1H-benzotriazole (18.5 ng/l), sucralose (11 ng/l), 1H-benzotriazole (9.2 ng/l), terbuthylazine (9 ng/l), alachlor (7.7 ng/l), atrazine-desisopropyl (6.6 ng/l), diethyltoluamide (DEET) (5.0 ng/l), terbuthylazine-desethyl (4.3 ng/l), metolachlor (2.8 ng/l), perfluorooctanoic acid (PFOA) (2.5 ng/l), perfluoropentanoic acid (PFPeA) (2.3 ng/l), linuron (2.3 ng/l), perfluorohexanoic acid (PFHxA) (2.2 ng/l), diuron (2.0 ng/l), perfluorohexane sulfonate (PFHxS) (1.6 ng/l), simazine (1.6 ng/l), atrazine (1.5 ng/l), and perfluorooctane sulfonate (PFOS) (1.3 ng/l). Higher concentrations were detected during summer due to increased levels of tourist activity during this period.

Simultaneous identification and quantification of tetrodotoxin in fresh pufferfish and pufferfish-based products using immunoaffinity columns and liquid chromatography/quadrupole-linear ion trap mass spectrometry

NASA Astrophysics Data System (ADS)

Guo, Mengmeng; Wu, Haiyan; Jiang, Tao; Tan, Zhijun; Zhao, Chunxia; Zheng, Guanchao; Li, Zhaoxin; Zhai, Yuxiu

2017-07-01

In this study, we established a comprehensive method for simultaneous identification and quantification of tetrodotoxin (TTX) in fresh pufferfish tissues and pufferfish-based products using liquid chromatography/quadrupole-linear ion trap mass spectrometry (LC-QqLIT-MS). TTX was extracted by 1% acetic acid-methanol, and most of the lipids were then removed by freezing lipid precipitation, followed by purification and concentration using immunoaffinity columns (IACs). Matrix effects were substantially reduced due to the high specificity of the IACs, and thus, background interference was avoided. Quantitation analysis was therefore performed using an external calibration curve with standards prepared in mobile phase. The method was evaluated by fortifying samples at 1, 10, and 100 ng/g, respectively, and the recoveries ranged from 75.8%-107%, with a relative standard deviation of less than 15%. The TTX calibration curves were linear over the range of 1-1 000 μg/L, with a detection limit of 0.3 ng/g and a quantification limit of 1 ng/g. Using this method, samples can be further analyzed using an information-dependent acquisition (IDA) experiment, in the positive mode, from a single liquid chromatography-tandem mass spectrometry injection, which can provide an extra level of confirmation by matching the full product ion spectra acquired for a standard sample with those from an enhanced product ion (EPI) library. The scheduled multiple reaction monitoring method enabled TTX to be screened for, and TTX was positively identified using the IDA and EPI spectra. This method was successfully applied to analyze a total of 206 samples of fresh pufferfish tissues and pufferfish-based products. The results from this study show that the proposed method can be used to quantify and identify TTX in a single run with excellent sensitivity and reproducibility, and is suitable for the analysis of complex matrix pufferfish samples.

Vibrational Spectroscopy of Fluoroformate, FCO2-, Trapped in Helium Nanodroplets.

PubMed

Thomas, Daniel A; Mucha, Eike; Gewinner, Sandy; Schöllkopf, Wieland; Meijer, Gerard; von Helden, Gert

2018-05-03

Fluoroformate, also known as carbonofluoridate, is an intriguing molecule readily formed by the reductive derivatization of carbon dioxide. In spite of its well-known stability, a detailed structural characterization of the isolated anion has yet to be reported. Presented in this work is the vibrational spectrum of fluoroformate obtained by infrared action spectroscopy of ions trapped in helium nanodroplets, the first application of this technique to a molecular anion. The experimental method yields narrow spectral lines, providing experimental constraints on the structure that can be accurately reproduced using high-level ab initio methods. In addition, two notable Fermi resonances between a fundamental and combination band are observed. The electrostatic potential map of fluoroformate reveals substantial charge density on fluorine as well as on the oxygen atoms, suggesting multiple sites for interaction with hydrogen bond donors and electrophiles, which may in turn lead to intriguing solvation structures and reaction pathways.

Quantitative Analysis of Charge Injection and Discharging of Si Nanocrystals and Arrays by Electrostatic Force Microscopy

NASA Technical Reports Server (NTRS)

Bell, L. D.; Boer, E.; Ostraat, M.; Brongersma, M. L.; Flagan, R. C.; Atwater, H. A.

2000-01-01

NASA requirements for computing and memory for microspacecraft emphasize high density, low power, small size, and radiation hardness. The distributed nature of storage elements in nanocrystal floating-gate memories leads to intrinsic fault tolerance and radiation hardness. Conventional floating-gate non-volatile memories are more susceptible to radiation damage. Nanocrystal-based memories also offer the possibility of faster, lower power operation. In the pursuit of filling these requirements, the following tasks have been accomplished: (1) Si nanocrystal charging has been accomplished with conducting-tip AFM; (2) Both individual nanocrystals on an oxide surface and nanocrystals formed by implantation have been charged; (3) Discharging is consistent with tunneling through a field-lowered oxide barrier; (4) Modeling of the response of the AFM to trapped charge has allowed estimation of the quantity of trapped charge; and (5) Initial attempts to fabricate competitive nanocrystal non-volatile memories have been extremely successful.

An Integrated Strategy for Global Qualitative and Quantitative Profiling of Traditional Chinese Medicine Formulas: Baoyuan Decoction as a Case

NASA Astrophysics Data System (ADS)

Ma, Xiaoli; Guo, Xiaoyu; Song, Yuelin; Qiao, Lirui; Wang, Wenguang; Zhao, Mingbo; Tu, Pengfei; Jiang, Yong

2016-12-01

Clarification of the chemical composition of traditional Chinese medicine formulas (TCMFs) is a challenge due to the variety of structures and the complexity of plant matrices. Herein, an integrated strategy was developed by hyphenating ultra-performance liquid chromatography (UPLC), quadrupole time-of-flight (Q-TOF), hybrid triple quadrupole-linear ion trap mass spectrometry (Qtrap-MS), and the novel post-acquisition data processing software UNIFI to achieve automatic, rapid, accurate, and comprehensive qualitative and quantitative analysis of the chemical components in TCMFs. As a proof-of-concept, the chemical profiling of Baoyuan decoction (BYD), which is an ancient TCMF that is clinically used for the treatment of coronary heart disease that consists of Ginseng Radix et Rhizoma, Astragali Radix, Glycyrrhizae Radix et Rhizoma Praeparata Cum Melle, and Cinnamomi Cortex, was performed. As many as 236 compounds were plausibly or unambiguously identified, and 175 compounds were quantified or relatively quantified by the scheduled multiple reaction monitoring (sMRM) method. The findings demonstrate that the strategy integrating the rapidity of UNIFI software, the efficiency of UPLC, the accuracy of Q-TOF-MS, and the sensitivity and quantitation ability of Qtrap-MS provides a method for the efficient and comprehensive chemome characterization and quality control of complex TCMFs.

Real-time measurement of sodium chloride in individual aerosol particles by mass spectrometry

NASA Technical Reports Server (NTRS)

Sinha, M. P.; Friedlander, S. K.

1985-01-01

The method of particle analysis by mass spectrometry has been applied to the quantitative measurement of sodium chloride in individual particles on a real-time basis. Particles of known masses are individually introduced, in the form of a beam, into a miniature Knudsen cell oven (1600 K). The oven is fabricated from rhenium metal sheet (0.018 mm thick) and is situated in the ion source of a quadrupole mass spectrometer. A particle once inside the oven is trapped and completely volatilized; this overcomes the problem of partial volatilization due to particles bouncing from the filament surface. Individual particles are thermally volatilized and ionized inside the rhenium oven, and produce discrete sodium ion pulses whose intensities are measured with the quadrupole mass spectrometer. An ion pulse width of several milliseconds (4-12 ms) is found for particles in the mass range 1.3 x 10 to the -13th to 5.4 x 10 to the -11th g. The sodium ion intensity is found to be proportional to the particle mass to the 0.86-power. The intensity distribution for monodisperse aerosol particles possesses a geometric standard deviation of 1.09, showing that the method can be used for the determination of the mass distribution function with good resolution in a polydisperse aerosol.

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

Wu, Q., E-mail: wuq@impcas.ac.cn; Ma, H. Y.; Yang, Y.

Two compact intense 2.45 GHz permanent magnet proton sources and their corresponding low energy beam transport (LEBT) system were developed successfully for China accelerator driven sub-critical system in 2014. Both the proton sources operate at 35 kV potential. The beams extracted from the ion source are transported by the LEBT, which is composed of two identical solenoids, to the 2.1 MeV Radio-Frequency Quadrupole (RFQ). In order to ensure the safety of the superconducting cavities during commissioning, an electrostatic-chopper has been designed and installed in the LEBT line that can chop the continuous wave beam into a pulsed one. The minimummore » width of the pulse is less than 10 μs and the fall/rise time of the chopper is about 20 ns. The performance of the proton source and the LEBT, such as beam current, beam profile, emittance and the impact to RFQ injection will be presented.« less

Nuclear isomer suitable for gamma ray laser

NASA Technical Reports Server (NTRS)

Jha, S.

1979-01-01

The operation of gamma ray lasers (gasers) are studied. It is assumed that the nuclear isomers mentioned in previously published papers have inherent limitations. It is further assumed that the judicious use of Bormann effect or the application of the total external reflection of low energy gamma radiation at grazing angle of incidence may permit the use of a gaser crystal sufficiently long to achieve observable stimulated emission. It is suggested that a long lived 0(+) isomer decaying by low energy gamma ray emission to a short lived 2(+) excited nuclear state would be an attractive gaser candidate. It is also suggested that the nuclear isomer be incorporated in a matrix of refractory material having an electrostatic field gradient whose principal axis lies along the length of the medium. This results in the preferential transmission of electric quadrupole radiation along the length of the medium.

Analytic model of a laser-accelerated composite plasma target and its stability

NASA Astrophysics Data System (ADS)

Khudik, Vladimir; Shvets, Gennady

2013-10-01

A self-consistent analytical model of monoenergetic acceleration of a one and two-species ultrathin target irradiated by a circularly polarized laser pulse is developed. In the accelerated reference frame, the bulk plasma in the target is neutral and its parameters are assumed to be stationary. It is found that the structure of the target depends strongly on the temperatures of electrons and ions, which are both strongly influenced by the laser pulse pedestal. When the electron temperature is large, the hot electrons bounce back and forth inside the potential well formed by ponderomotive and electrostatic potentials while the heavy and light ions are forced-balanced by the electrostatic and non-inertial fields forming two separated layers. In the opposite limiting case when the ion temperature is large, the hot ions are trapped in the potential well formed by the ion-sheath's electric and non-inertial potentials while the cold electrons are forced-balanced by the electrostatic and ponderomotive fields. Using PIC simulations we have determined which scenario is realized in practice depending on the initial target structure and laser intensity. Target stability with respect to Rayleigh-Taylor instability will also be discussed. This work is supported by the US DOE grants DE-FG02-04ER41321 and DE-FG02-07ER54945.

Ion source based on the cathodic arc

DOEpatents

Sanders, David M.; Falabella, Steven

1994-01-01

A cylindrically symmetric arc source to produce a ring of ions which leave the surface of the arc target radially and are reflected by electrostatic fields present in the source to a point of use, such as a part to be coated. An array of electrically isolated rings positioned in the source serves the dual purpose of minimizing bouncing of macroparticles and providing electrical insulation to maximize the electric field gradients within the source. The source also includes a series of baffles which function as a filtering or trapping mechanism for any macroparticles.

Stochastic nonlinear electrical characteristics of graphene

NASA Astrophysics Data System (ADS)

Jun Shin, Young; Gopinadhan, Kalon; Narayanapillai, Kulothungasagaran; Kalitsov, Alan; Bhatia, Charanjit S.; Yang, Hyunsoo

2013-01-01

A stochastic nonlinear electrical characteristic of graphene is reported. Abrupt current changes are observed from voltage sweeps between the source and drain with an on/off ratio up to 103. It is found that graphene channel experiences the topological change. Active radicals in an uneven graphene channel cause local changes of electrostatic potential. Simulation results based on the self-trapped electron and hole mechanism account well for the experimental data. Our findings illustrate an important issue of reliable electron transports and help for the understanding of transport properties in graphene devices.

Jupiter plasma wave observations: an initial voyager 1 overview.

PubMed

Scarf, F L; Gurnett, D A; Kurth, W S

1979-06-01

The Voyager I plasma wave instrument detected low-frequency radio emissions, ion acoustic waves, and electron plasma oscillations for a period of months before encountering Jupiter's bow shock. In the outer magnetosphere, measurements of trapped radio waves were used to derive an electron density profile. Near and within the Io plasma torus the instrument detected high-frequency electrostatic waves, strong whistler mode turbulence, and discrete whistlers, apparently associated with lightning. Some strong emissions in the tail region and some impulsive signals have not yet been positively identified.

Planetary plasma waves

NASA Technical Reports Server (NTRS)

Gurnett, Donald A.

1993-01-01

The primary types of plasma waves observed in the vicinity of the planets Venus, Mars, Earth, Jupiter, Saturn, Uranus, and Neptune are described. The observations are organized according to the various types of plasma waves observed, ordered according to decreasing distance from the planet, starting from the sunward side of the planet, and ending in the region near the closest approach. The plasma waves observed include: electron plasma oscillations and ion acoustic waves; trapped continuum radiation; electron cyclotron and upper hybrid waves; whistler-mode emissions; electrostatic ion cyclotron waves; and electromagnetic ion cyclotron waves.

Review of microscopic plasma processes of occurring during refilling of the plasmasphere

NASA Technical Reports Server (NTRS)

Singh, N.; Torr, D. G.

1988-01-01

Refilling of the plasmashere after geomagnetic storms involves both macroscopic and microscopic plasma processes. The latter types of processes facilitate the refilling by trapping the plasma in the flux tube and by thermalizing the interhemispheric flow. A review of studies on microscopic processes is presented. The primary focus in this review is on the processes when the density is low and the plasma is collisionless. The discussion includes electrostatic shock formation, pitch angle scatterring extended ion heating and localized ion heating in the equatorial region.

Ultrasensitive photodetectors exploiting electrostatic trapping and percolation transport

DOE PAGES

Zhang, Yingjie; Hellebusch, Daniel J.; Bronstein, Noah D.; ...

2016-06-21

The sensitivity of semiconductor photodetectors is limited by photocarrier recombination during the carrier transport process. We developed a new photoactive material that reduces recombination by physically separating hole and electron charge carriers. This material has a specific detectivity (the ability to detect small signals) of 5 × 10 17 Jones, the highest reported in visible and infrared detectors at room temperature, and 4-5 orders of magnitude higher than that of commercial single-crystal silicon detectors. The material was fabricated by sintering chloride-capped CdTe nanocrystals into polycrystalline films, where Cl selectively segregates into grain boundaries acting as n-type dopants. Photogenerated electrons concentratemore » in and percolate along the grain boundaries - a network of energy valleys, while holes are confined in the grain interiors. This electrostatic field-assisted carrier separation and percolation mechanism enables an unprecedented photoconductive gain of 10 10 e - per photon, and allows for effective control of the device response speed by active carrier quenching.« less

The physics of W transport illuminated by recent progress in W density diagnostics at ASDEX Upgrade

NASA Astrophysics Data System (ADS)

Odstrcil, T.; Pütterich, T.; Angioni, C.; Bilato, R.; Gude, A.; Odstrcil, M.; ASDEX Upgrade Team; the EUROfusion MST1 Team

2018-01-01

Due to the high mass and charge of the heavy ions, centrifugal and electrostatic forces cause a significant variation in their poloidal density. The impact of these forces on the poloidal density profile of tungsten was investigated utilizing the detailed two-dimensional SXR emissivity profiles from the ASDEX Upgrade tokamak. The perturbation in the electrostatic potential generated by magnetic trapping of the non-thermal ions from neutral beam injection was found to be responsible for significant changes in the poloidal distribution of tungsten ions. An excellent match with the results from fast particle modeling was obtained, validating the model for the poloidal fast particle distribution. Additionally, an enhancement of the neoclassical transport due to an outboard side impurity localization was measured in the experiment when analyzing the tungsten flux between sawtooth crashes. A qualitative match with neoclassical modeling was found, demonstrating the possibility of minimizing neoclassical transport by an optimization of the poloidal asymmetry profile of the impurity.

Ultrasensitive photodetectors exploiting electrostatic trapping and percolation transport

PubMed Central

Zhang, Yingjie; Hellebusch, Daniel J.; Bronstein, Noah D.; Ko, Changhyun; Ogletree, D. Frank; Salmeron, Miquel; Alivisatos, A. Paul

2016-01-01

The sensitivity of semiconductor photodetectors is limited by photocarrier recombination during the carrier transport process. We developed a new photoactive material that reduces recombination by physically separating hole and electron charge carriers. This material has a specific detectivity (the ability to detect small signals) of 5 × 1017 Jones, the highest reported in visible and infrared detectors at room temperature, and 4–5 orders of magnitude higher than that of commercial single-crystal silicon detectors. The material was fabricated by sintering chloride-capped CdTe nanocrystals into polycrystalline films, where Cl selectively segregates into grain boundaries acting as n-type dopants. Photogenerated electrons concentrate in and percolate along the grain boundaries—a network of energy valleys, while holes are confined in the grain interiors. This electrostatic field-assisted carrier separation and percolation mechanism enables an unprecedented photoconductive gain of 1010 e− per photon, and allows for effective control of the device response speed by active carrier quenching. PMID:27323904

Regulation of anionic lipids in binary membrane upon the adsorption of polyelectrolyte: A Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Duan, Xiaozheng; Li, Yunqi; Zhang, Ran; Shi, Tongfei; An, Lijia; Huang, Qingrong

2013-06-01

We employ Monte Carlo simulations to investigate the interaction between an adsorbing linear flexible cationic polyelectrolyte and a binary fluid membrane. The membrane contains neutral phosphatidyl-choline, PC) and multivalent anionic (phosphatidylinositol, PIP2) lipids. We systematically study the influences of the solution ionic strength, the chain length and the bead charge density of the polyelectrolyte on the lateral rearrangement and the restricted mobility of the multivalent anionic lipids in the membrane. Our findings show that, the cooperativity effect and the electrostatic interaction of the polyelectrolyte beads can significantly affect the segregation extent and the concentration gradients of the PIP2 molecules, and further cooperate to induce the complicated hierarchical mobility behaviors of PIP2 molecules. In addition, when the polyelectrolyte brings a large amount of charges, it can form a robust electrostatic well to trap all PIP2 and results in local overcharge of the membrane. This work presents a mechanism to explain the membrane heterogeneity formation induced by the adsorption of charged macromolecule.

Semiconducting double-dot exchange-only qubit dynamics in the presence of magnetic and charge noises

NASA Astrophysics Data System (ADS)

Ferraro, E.; Fanciulli, M.; De Michielis, M.

2018-06-01

The effects of magnetic and charge noises on the dynamical evolution of the double-dot exchange-only qubit (DEOQ) is theoretically investigated. The DEOQ consisting of three electrons arranged in an electrostatically defined double quantum dot deserves special interest in quantum computation applications. Its advantages are in terms of fabrication, control and manipulation in view of implementation of fast single and two-qubit operations through only electrical tuning. The presence of the environmental noise due to nuclear spins and charge traps, in addition to fluctuations in the applied magnetic field and charge fluctuations on the electrostatic gates adopted to confine the electrons, is taken into account including random magnetic field and random coupling terms in the Hamiltonian. The behavior of the return probability as a function of time for initial conditions of interest is presented. Moreover, through an envelope-fitting procedure on the return probabilities, coherence times are extracted when model parameters take values achievable experimentally in semiconducting devices.

Acceleration of ions and neutrals by a traveling electrostatic wave

NASA Astrophysics Data System (ADS)

Lee, K. H.; Lee, L. C.; Wong, A. Y.

2018-02-01

We propose a new scheme for accelerating a weakly ionized gas by externally imposing a sinusoidal electrostatic (ES) potential in a tubular system. The weakly ionized gas consists of three fluid components: neutral hydrogen fluid ( H ), positively charged fluid ( H + ), and negatively charged fluids ( H - and/or e - ), as an example. The sinusoidal ES potential is imposed on a series of conductive meshes in the tubular system, and its phase varies with time and space to mimic a traveling ES wave. The charged fluids are trapped and accelerated by the sinusoidal ES potential, while the neutral fluid is accelerated through neutral-ion collisions. The neutral fluid can be accelerated to the wave phase velocity in a few neutral-ion collision times. The whole device remains charge-neutral, and there is no build-up of space charge. The acceleration scheme can be applied to, for example, the propulsion of glider in the air, partially ionized plasma in a chamber, spacecraft, and wind tunnel.

Energy gain calculations in Penning fusion systems using a bounce-averaged Fokker-Planck model

NASA Astrophysics Data System (ADS)

Chacón, L.; Miley, G. H.; Barnes, D. C.; Knoll, D. A.

2000-11-01

In spherical Penning fusion devices, a spherical cloud of electrons, confined in a Penning-like trap, creates the ion-confining electrostatic well. Fusion energy gains for these systems have been calculated in optimistic conditions (i.e., spherically uniform electrostatic well, no collisional ion-electron interactions, single ion species) using a bounce-averaged Fokker-Planck (BAFP) model. Results show that steady-state distributions in which the Maxwellian ion population is dominant correspond to lowest ion recirculation powers (and hence highest fusion energy gains). It is also shown that realistic parabolic-like wells result in better energy gains than square wells, particularly at large well depths (>100 kV). Operating regimes with fusion power to ion input power ratios (Q-value) >100 have been identified. The effect of electron losses on the Q-value has been addressed heuristically using a semianalytic model, indicating that large Q-values are still possible provided that electron particle losses are kept small and well depths are large.

Computational study of nonlinear plasma waves. [plasma simulation model applied to electrostatic waves in collisionless plasma

NASA Technical Reports Server (NTRS)

Matsuda, Y.

1974-01-01

A low-noise plasma simulation model is developed and applied to a series of linear and nonlinear problems associated with electrostatic wave propagation in a one-dimensional, collisionless, Maxwellian plasma, in the absence of magnetic field. It is demonstrated that use of the hybrid simulation model allows economical studies to be carried out in both the linear and nonlinear regimes with better quantitative results, for comparable computing time, than can be obtained by conventional particle simulation models, or direct solution of the Vlasov equation. The characteristics of the hybrid simulation model itself are first investigated, and it is shown to be capable of verifying the theoretical linear dispersion relation at wave energy levels as low as .000001 of the plasma thermal energy. Having established the validity of the hybrid simulation model, it is then used to study the nonlinear dynamics of monochromatic wave, sideband instability due to trapped particles, and satellite growth.

Plasma regenerated particulate trap and NO.sub.x reduction system

DOEpatents

Penetrante, Bernardino M.; Vogtlin, George E.; Merritt, Bernard T.; Brusasco, Raymond M.

2000-01-01

A non-catalytic two-stage process for removal of NO.sub.x and particulates from engine exhaust comprises a first stage that plasma converts NO to NO.sub.2 in the presence of O.sub.2 and hydrocarbons, and a second stage, which preferably occurs simultaneously with the first stage, that converts NO.sub.2 and carbon soot particles to respective environmentally benign gases that include N.sub.2 and CO.sub.2. By preconverting NO to NO.sub.2 in the first stage, the efficiency of the second stage for NO.sub.x reduction is enhanced while carbon soot from trapped particulates is simultaneously converted to CO.sub.2 when reacting with the NO.sub.2 (that converts to N.sub.2). For example, an internal combustion engine exhaust is connected by a pipe to a chamber where carbon-containing particulates are electrostatically trapped or filtered and a non-thermal plasma converts NO to NO.sub.2 in the presence of O.sub.2 and hydrocarbons. Volatile hydrocarbons (C.sub.x H.sub.y) from the trapped particulates are oxidized in the plasma and the remaining soot from the particulates reacts with the NO.sub.2 to convert NO.sub.2 to N.sub.2, and the soot to CO.sub.2. The nitrogen exhaust components remain in the gas phase throughout the process, with no accompanying adsorption.

In-depth study of in-trap high-resolution mass separation by transversal ion ejection from a multi-reflection time-of-flight device.

PubMed

Fischer, Paul; Knauer, Stefan; Marx, Gerrit; Schweikhard, Lutz

2018-01-01

The recently introduced method of ion separation by transversal ejection of unwanted species in electrostatic ion-beam traps and multi-reflection time-of-flight devices has been further studied in detail. As this separation is performed during the ion storage itself, there is no need for additional external devices such as ion gates or traps for either pre- or postselection of the ions of interest. The ejection of unwanted contaminant ions is performed by appropriate pulses of the potentials of deflector electrodes. These segmented ring electrodes are located off-center in the trap, i.e., between one of the two ion mirrors and the central drift tube, which also serves as a potential lift for capturing incoming ions and axially ejecting ions of interest after their selection. The various parameters affecting the selection effectivity and resolving power are illustrated with tin-cluster measurements, where isotopologue ion species provide mass differences down to a single atomic mass unit at ion masses of several hundred. Symmetric deflection voltages of only 10 V were found sufficient for the transversal ejection of ion species with as few as three deflection pulses. The duty cycle, i.e., the pulse duration with respect to the period of ion revolution, has been varied, resulting in resolving powers of up to several tens of thousands for this selection technique.

In-depth study of in-trap high-resolution mass separation by transversal ion ejection from a multi-reflection time-of-flight device

NASA Astrophysics Data System (ADS)

Fischer, Paul; Knauer, Stefan; Marx, Gerrit; Schweikhard, Lutz

2018-01-01

The recently introduced method of ion separation by transversal ejection of unwanted species in electrostatic ion-beam traps and multi-reflection time-of-flight devices has been further studied in detail. As this separation is performed during the ion storage itself, there is no need for additional external devices such as ion gates or traps for either pre- or postselection of the ions of interest. The ejection of unwanted contaminant ions is performed by appropriate pulses of the potentials of deflector electrodes. These segmented ring electrodes are located off-center in the trap, i.e., between one of the two ion mirrors and the central drift tube, which also serves as a potential lift for capturing incoming ions and axially ejecting ions of interest after their selection. The various parameters affecting the selection effectivity and resolving power are illustrated with tin-cluster measurements, where isotopologue ion species provide mass differences down to a single atomic mass unit at ion masses of several hundred. Symmetric deflection voltages of only 10 V were found sufficient for the transversal ejection of ion species with as few as three deflection pulses. The duty cycle, i.e., the pulse duration with respect to the period of ion revolution, has been varied, resulting in resolving powers of up to several tens of thousands for this selection technique.

Final Technical Report: "New Tools for Physics with Low-energy Antimatter"

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

Surko, Clifford M.

2013-10-02

The objective of this research is to develop new tools to manipulate antimatter plasmas and to tailor them for specific scientific and technical uses. The work has two specific objectives. One is establishing the limits for positron accumulation and confinement in the form of single-component plasmas in Penning-Malmberg traps. This technique underpins a wealth of antimatter applications. A second objective is to develop an understanding of the limits for formation of cold, bright positron beams. The research done in this grant focused on particular facets of these goals. One focus was extracting tailored beams from a high-field Penning-Malmberg trap frommore » the magnetic field to form new kinds of high-quality electrostatic beams. A second goal was to develop the technology for colder trap-based beams using a cryogenically cooled buffer gas. A third objective was to conduct the basic plasma research to develop a new high-capacity multicell trap (MCT) for research with antimatter. Progress is reported here in all three areas. While the goal of this research is to develop new tools for manipulating positrons (i.e., the antiparticles of electrons), much of the work was done with test electron plasmas for increased data rate. Some of the techniques developed in the course of this work are also relevant to the manipulation and use of antiprotons.« less

Positron annihilation studies of the AlOx/SiO2/Si interface in solar cell structures

NASA Astrophysics Data System (ADS)

Edwardson, C. J.; Coleman, P. G.; Li, T.-T. A.; Cuevas, A.; Ruffell, S.

2012-03-01

Film and film/substrate interface characteristics of 30 and 60 nm-thick AlOx films grown on Si substrates by thermal atomic layer deposition (ALD), and 30 nm-thick AlOx films by sputtering, have been probed using variable-energy positron annihilation spectroscopy (VEPAS) and Doppler-broadened spectra ratio curves. All samples were found to have an interface which traps positrons, with annealing increasing this trapping response, regardless of growth method. Thermal ALD creates an AlOx/SiOx/Si interface with positron trapping and annihilation occurring in the Si side of the SiOx/Si boundary. An induced positive charge in the Si next to the interface reduces diffusion into the oxides and increases annihilation in the Si. In this region there is a divacancy-type response (20 ± 2%) before annealing which is increased to 47 ± 2% after annealing. Sputtering seems to not produce samples with this same electrostatic shielding; instead, positron trapping occurs directly in the SiOx interface in the as-deposited sample, and the positron response to it increases after annealing as an SiO2 layer is formed. Annealing the film has the effect of lowering the film oxygen response in all film types. Compared to other structural characterization techniques, VEPAS shows larger sensitivity to differences in film preparation method and between as-deposited and annealed samples.

The influence of the self-consistent mode structure on the Coriolis pinch effect

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

Peeters, A. G.; Camenen, Y.; Casson, F. J.

This paper discusses the effect of the mode structure on the Coriolis pinch effect [A. G. Peeters, C. Angioni, and D. Strintzi, Phys. Rev. Lett. 98, 265003 (2007)]. It is shown that the Coriolis drift effect can be compensated for by a finite parallel wave vector, resulting in a reduced momentum pinch velocity. Gyrokinetic simulations in full toroidal geometry reveal that parallel dynamics effectively removes the Coriolis pinch for the case of adiabatic electrons, while the compensation due to the parallel dynamics is incomplete for the case of kinetic electrons, resulting in a finite pinch velocity. The finite flux inmore » the case of kinetic electrons is interpreted to be related to the electron trapping, which prevents a strong asymmetry in the electrostatic potential with respect to the low field side position. The physics picture developed here leads to the discovery and explanation of two unexpected effects: First the pinch velocity scales with the trapped particle fraction (root of the inverse aspect ratio), and second there is no strong collisionality dependence. The latter is related to the role of the trapped electrons, which retain some symmetry in the eigenmode, but play no role in the perturbed parallel velocity.« less

A cylindrical quadrupole ion trap in combination with an electrospray ion source for gas-phase luminescence and absorption spectroscopy

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

Stockett, Mark H., E-mail: stockett@phys.au.dk; Houmøller, Jørgen; Støchkel, Kristian

2016-05-15

A relatively simple setup for collection and detection of light emitted from isolated photo-excited molecular ions has been constructed. It benefits from a high collection efficiency of photons, which is accomplished by using a cylindrical ion trap where one end-cap electrode is a mesh grid combined with an aspheric condenser lens. The geometry permits nearly 10% of the emitted light to be collected and, after transmission losses, approximately 5% to be delivered to the entrance of a grating spectrometer equipped with a detector array. The high collection efficiency enables the use of pulsed tunable lasers with low repetition rates (e.g.,more » 20 Hz) instead of continuous wave (cw) lasers or very high repetition rate (e.g., MHz) lasers that are typically used as light sources for gas-phase fluorescence experiments on molecular ions. A hole has been drilled in the cylinder electrode so that a light pulse can interact with the ion cloud in the center of the trap. Simulations indicate that these modifications to the trap do not significantly affect the storage capability and the overall shape of the ion cloud. The overlap between the ion cloud and the laser light is basically 100%, and experimentally >50% of negatively charged chromophore ions are routinely photodepleted. The performance of the setup is illustrated based on fluorescence spectra of several laser dyes, and the quality of these spectra is comparable to those reported by other groups. Finally, by replacing the optical system with a channeltron detector, we demonstrate that the setup can also be used for gas-phase action spectroscopy where either depletion or fragmentation is monitored to provide an indirect measurement on the absorption spectrum of the ion.« less

A cylindrical quadrupole ion trap in combination with an electrospray ion source for gas-phase luminescence and absorption spectroscopy.

PubMed

Stockett, Mark H; Houmøller, Jørgen; Støchkel, Kristian; Svendsen, Annette; Brøndsted Nielsen, Steen

2016-05-01

A relatively simple setup for collection and detection of light emitted from isolated photo-excited molecular ions has been constructed. It benefits from a high collection efficiency of photons, which is accomplished by using a cylindrical ion trap where one end-cap electrode is a mesh grid combined with an aspheric condenser lens. The geometry permits nearly 10% of the emitted light to be collected and, after transmission losses, approximately 5% to be delivered to the entrance of a grating spectrometer equipped with a detector array. The high collection efficiency enables the use of pulsed tunable lasers with low repetition rates (e.g., 20 Hz) instead of continuous wave (cw) lasers or very high repetition rate (e.g., MHz) lasers that are typically used as light sources for gas-phase fluorescence experiments on molecular ions. A hole has been drilled in the cylinder electrode so that a light pulse can interact with the ion cloud in the center of the trap. Simulations indicate that these modifications to the trap do not significantly affect the storage capability and the overall shape of the ion cloud. The overlap between the ion cloud and the laser light is basically 100%, and experimentally >50% of negatively charged chromophore ions are routinely photodepleted. The performance of the setup is illustrated based on fluorescence spectra of several laser dyes, and the quality of these spectra is comparable to those reported by other groups. Finally, by replacing the optical system with a channeltron detector, we demonstrate that the setup can also be used for gas-phase action spectroscopy where either depletion or fragmentation is monitored to provide an indirect measurement on the absorption spectrum of the ion.

Differentiation of the Stereochemistry and Anomeric Configuration for 1-3 Linked Disaccharides Via Tandem Mass Spectrometry and 18O-labeling

NASA Astrophysics Data System (ADS)

Konda, Chiharu; Bendiak, Brad; Xia, Yu

2012-02-01

Collision-induced dissociation (CID) of deprotonated hexose-containing disaccharides ( m/z 341) with 1-2, 1-4, and 1-6 linkages yields product ions at m/z 221, which have been identified as glycosyl-glycolaldehyde anions. From disaccharides with these linkages, CID of m/z 221 ions produces distinct fragmentation patterns that enable the stereochemistries and anomeric configurations of the non-reducing sugar units to be determined. However, only trace quantities of m/z 221 ions can be generated for 1-3 linkages in Paul or linear ion traps, preventing further CID analysis. Here we demonstrate that high intensities of m/z 221 ions can be built up in the linear ion trap (Q3) from beam-type CID of a series of 1-3 linked disaccharides conducted on a triple quadrupole/linear ion trap mass spectrometer. 18O-labeling at the carbonyl position of the reducing sugar allowed mass-discrimination of the "sidedness" of dissociation events to either side of the glycosidic linkage. Under relatively low energy beam-type CID and ion trap CID, an m/z 223 product ion containing 18O predominated. It was a structural isomer that fragmented quite differently than the glycosyl-glycolaldehydes and did not provide structural information about the non-reducing sugar. Under higher collision energy beam-type CID conditions, the formation of m/z 221 ions, which have the glycosyl-glycolaldehyde structures, were favored. Characteristic fragmentation patterns were observed for each m/z 221 ion from higher energy beam-type CID of 1-3 linked disaccharides and the stereochemistry of the non-reducing sugar, together with the anomeric configuration, were successfully identified both with and without 18O-labeling of the reducing sugar carbonyl group.

Trapping Mode Dipolar DC Collisional Activation in the RF-Only Ion Guide of a Linear Ion Trap/Time-of-Flight Instrument for Gaseous Bio-Ion Declustering

PubMed Central

Webb, Ian K.; Gao, Yang; Londry, Frank A.; McLuckey, Scott A.

2013-01-01

The application of dipolar DC (DDC) to the RF-only ion guide (Q0) of a hybrid quadrupole/time-of-flight (QqTOF) mass spectrometer for collision-induced declustering of large bio-ions is described. As a broadband technique, ion trap DDC collision activation (CA) is employed to decluster ions simultaneously over a relatively broad mass-to-charge range. Declustering DDC CA can yield significantly narrower peaks relative to those observed in the absence of declustering methods, depending upon the extent of non-covalent adduction associated with the ions, and can also be used in conjunction with other methods, such as nozzle-skimmer collisional activation. The key experimental variables in the DDC experiment are the dipolar DC voltage (VDDC), VRF, and the time over which VDDC is applied. The VDDC/VRF ratio is key to the extent to which ion temperatures are elevated and also influences the upper mass-to-charge limit for ion storage. The VDDC/VRF ratio affects ion temperatures and upper m/z limit in opposing directions. That is, as the ratio increases, ion temperature increases whereas the upper m/z storage limit decreases. However, for a given VDDC/VRF ratio, the upper m/z storage limit can be increased by increasing VRF, at the expense of the lower m/z limit for ion storage. The key value of the approach is that it affords a relatively precise degree of control over ion temperatures as well as the time over which they are elevated to the higher temperature. The utility of the method is illustrated by the application of ion trap DDC CA in Q0 to oligonucleotide, protein, and multimeric protein complex analyte ions. PMID:24078247

Multiresidue pesticide analysis in ginseng and spinach by nontargeted and targeted screening procedures.

PubMed

Hayward, Douglas G; Wong, Jon W; Zhang, Kai; Chang, James; Shi, Feng; Banerjee, Kaushik; Yang, Paul

2011-01-01

Five different mass spectrometers interfaced to GC or LC were evaluated for their application to targeted and nontargeted screening of pesticides in two foods, spinach and ginseng. The five MS systems were capillary GC/MS/MS, GC-high resolution time-of-flight (GC/HR-TOF)-MS, TOF-MS interfaced with a comprehensive multidimensional GC (GCxGC/TOF-MS), an MS/MS ion trap hybrid mass (qTrap) system interfaced with an ultra-performance liquid chromatograph (UPLC-qTrap), and UPLC interfaced to an orbital trap high resolution mass spectrometer (UPLC/Orbitrap HR-MS). Each MS system was tested with spinach and ginseng extracts prepared through a modified quick, easy, cheap, effective, rugged, and safe (QuEChERS) procedure. Each matrix was fortified at 10 and 50 ng/g for spinach or 25 and 100 ng/g for ginseng with subsets of 486 pesticides, isomers, and metabolites representing most pesticide classes. HR-TOF-MS was effective in a targeted search for characteristic accurate mass ions and identified 97% of 170 pesticides in ginseng at 25 ng/g. A targeted screen of either ginseng or spinach found 94-95% of pesticides fortified for analysis at 10 ng/g with GC/MS/MS or LC/MS/MS using multiple reaction monitoring (MRM) procedures. Orbitrap-MS successfully found 89% of 177 fortified pesticides in spinach at 25 ng/g using a targeted search of accurate mass pseudomolecular ions in the positive electrospray ionization mode. A comprehensive GCxGC/TOF-MS system provided separation and identification of 342 pesticides and metabolites in a single 32 min acquisition with standards. Only 67 or 81% of the pesticides were identified in ginseng and spinach matrixes at 25 ng/g or 10 ng/g, respectively. MS/MS or qTrap-MS operated in the MRM mode produced the lowest false-negative rates, at 10 ng/g. Improvements to instrumentation, methods, and software are needed for efficient use of nontargeted screens in parallel with triple quadrupole MS.

Determining Energies and Cross Sections of Individual Ions Using Higher-Order Harmonics in Fourier Transform Charge Detection Mass Spectrometry (FT-CDMS).

PubMed

Harper, Conner C; Elliott, Andrew G; Lin, Haw-Wei; Williams, Evan R

2018-06-02

A general method for in situ measurements of the energy of individual ions trapped and weighed using charge detection mass spectrometry (CDMS) is described. Highly charged (> 300 e), individual polyethylene glycol (PEG) ions are trapped and oscillate within an electrostatic trap, producing a time domain signal. A segmented Fourier transform (FT) of this signal yields the temporal evolution of the fundamental and harmonic frequencies of ion motion throughout the 500-ms trap time. The ratio of the fundamental frequency and second harmonic (HAR) depends on the ion energy, which is an essential parameter for measuring ion mass in CDMS. This relationship is calibrated using simulated ion signals, and the calibration is compared to the HAR values measured for PEG ion signals where the ion energy was also determined using an independent method that requires that the ions be highly charged (> 300 e). The mean error of 0.6% between the two measurements indicates that the HAR method is an accurate means of ion energy determination that does not depend on ion size or charge. The HAR is determined dynamically over the entire trapping period, making it possible to observe the change in ion energy that takes place as solvent evaporates from the ion and collisions with background gas occur. This method makes it possible to measure mass changes, either from solvent evaporation or from molecular fragmentation (MS n ), as well as the cross sections of ions measured using CDMS. Graphical Abstract.

High-pressure ion source combined with an in-axis ion trap mass spectrometer. 1. Instrumentation and applications

PubMed

Mathurin; Faye; Brunot; Tabet; Wells; Fuche

2000-10-15

A new combination of a dual EI/CI ion source with a quadrupole ion trap mass spectrometer has been realized in order to efficiently produce negative ions in the reaction cell. Analysis of volatile compounds was performed under negative ion chemical ionization (NICI) during a reaction period where selected reactant negative ions, previously produced in the external ion source, were allowed to interact with molecules, introduced by hyphenated techniques such as gas chromatography. The O2*-, CH3O-, and Cl- reactant ions were used in this study to ensure specific ion/molecule interactions such as proton transfer, nucleophilic displacement, or charge exchange processes, respectively leading to even-electron species, i.e., deprotonated [M - H]- molecules, diagnostic [M - R]- ions, or odd-electron M*- molecular species. The reaction orientation depends on the thermochemistry of reactions within kinetic controls. First analytical results are presented here for the trace-level detection of several contaminants under NICI/Cl- conditions. Phosphorus-containing compounds (malathion, ethyl parathion, and methyl parathion as representative for pesticides) and nitro-containing compounds (2,4,6-trinitrotoluene for explosive material) have been chosen in order to explore the analytical ability of this promising instrumental coupling.

Spatial Control of Laser Wakefield Accelerated Electron Beams

NASA Astrophysics Data System (ADS)

Maksimchuk, A.; Behm, K.; Zhao, T.; Joglekar, A. S.; Hussein, A.; Nees, J.; Thomas, A. G. R.; Krushelnick, K.; Elle, J.; Lucero, A.; Samarin, G. M.; Sarry, G.; Warwick, J.

2017-10-01

The laser wakefield experiments to study and control spatial properties of electron beams were performed using HERCULES laser at the University of Michigan at power of 100 TW. In the first experiment multi-electron beam generation was demonstrated using co-propagating, parallel laser beams with a π-phase shift mirror and showing that interaction between the wakefields can cause injection to occur for plasma and laser parameters in which a single wakefield displays no significant injection. In the second experiment a magnetic triplet quadrupole system was used to refocus and stabilize electron beams at the distance of 60 cm from the interaction region. This produced a 10-fold increase in remote gamma-ray activation of 63Cu using a lead converter. In the third experiment measurements of un-trapped electrons with high transverse momentum produce a 500 mrad (FWHM) ring. This ring is formed by electrons that receive a forward momentum boost by traversing behind the bubble and its size is inversely proportional to the plasma density. The characterization of divergence and charge of this electron ring may reveal information about the wakefield structure and trapping potential. Supported by U.S. Department of Energy and the National Nuclear Security Administration and Air Force Office of Scientific Research.

Kinetic energy of shakeoff atomic electrons from 37K β+ decay

NASA Astrophysics Data System (ADS)

Behr, J. A.; Gorelov, A.; Farfan, C.; Smale, S.; Olchanski, K.; Kurchananov, L.; Anholm, M.; Behling, R. S.; Fenker, B.; Shidling, P. D.; Mehlman, M.; Melconian, D.; Ashery, D.; Gwinner, G.; Trinat Collaboration

2013-10-01

We have measured the kinetic energies from 0 to 30 eV of atomic shakeoff electrons from the β+ decay of 37K. Despite much experimental and theoretical work on the distribution of final ion charge states, shakeoff electrons from β- decay have only been measured with energies above 150 eV [Mitrokhovich, Nucl. Phys. Atom. Energy, 11, 125 (2010)]. We use our magneto-optical trap's time-varying magnetic quadrupole field combined with a uniform electric field as a spectrometer. Our result has more 15 eV electrons than a model using the sudden approximation and hydrogenic wavefunctions [Levinger, Phys. Rev. 90, 11 (1958)]. The total energy carried away by electrons is, as expected, a negligible correction to superallowed Ft values. Understanding the energy of these low-energy electrons is important for their use in precision β decay to select events coming from trapped atoms and start time-of-flight for the recoil ions. Our results could provide a benchmark for shakeoff electron calculations used for biological radiation damage [Lee, Comp. Math. Meth in Medicine doi:10.1155/2012/651475]. Support: NSERC, NRC through TRIUMF, DOE ER41747 ER40773, State of Texas, Israel Science Foundation.

Ultrahigh Pressure Processing Produces Alterations in the Metabolite Profiles of Panax ginseng.

PubMed

Lee, Mee Youn; Singh, Digar; Kim, Sung Han; Lee, Sang Jun; Lee, Choong Hwan

2016-06-22

Ultrahigh pressure (UHP) treatments are non-thermal processing methods that have customarily been employed to enhance the quality and productivity of plant consumables. We aimed to evaluate the effects of UHP treatments on ginseng samples (white ginseng: WG; UHP-treated WG: UWG; red ginseng: RG; UHP-treated RG: URG; ginseng berries: GB; and UHP-treated GB: UGB) using metabolite profiling based on ultrahigh performance liquid chromatography-linear trap quadrupole-ion trap-tandem mass spectrometry (UHPLC-LTQ-IT-MS/MS) and gas chromatography time-of-flight mass spectrometry (GC-TOF-MS). Multivariate data analyses revealed a clear demarcation among the GB and UGB samples, and the phenotypic evaluations correlated the highest antioxidant activities and the total phenolic and flavonoid compositions with the UGB samples. Overall, eight amino acids, seven organic acids, seven sugars and sugar derivatives, two fatty acids, three notoginsenosides, three malonylginsenosides, and three ginsenosides, were identified as significantly discriminant metabolites between the GB and UGB samples, with relatively higher proportions in the latter. Ideally, these metabolites can be used as quality biomarkers for the assessment of ginseng products and our results indicate that UHP treatment likely led to an elevation in the proportions of total extractable metabolites in ginseng samples.

Detection and identification of 700 drugs by multi-target screening with a 3200 Q TRAP LC-MS/MS system and library searching.

PubMed

Dresen, S; Ferreirós, N; Gnann, H; Zimmermann, R; Weinmann, W

2010-04-01

The multi-target screening method described in this work allows the simultaneous detection and identification of 700 drugs and metabolites in biological fluids using a hybrid triple-quadrupole linear ion trap mass spectrometer in a single analytical run. After standardization of the method, the retention times of 700 compounds were determined and transitions for each compound were selected by a "scheduled" survey MRM scan, followed by an information-dependent acquisition using the sensitive enhanced product ion scan of a Q TRAP hybrid instrument. The identification of the compounds in the samples analyzed was accomplished by searching the tandem mass spectrometry (MS/MS) spectra against the library we developed, which contains electrospray ionization-MS/MS spectra of over 1,250 compounds. The multi-target screening method together with the library was included in a software program for routine screening and quantitation to achieve automated acquisition and library searching. With the help of this software application, the time for evaluation and interpretation of the results could be drastically reduced. This new multi-target screening method has been successfully applied for the analysis of postmortem and traffic offense samples as well as proficiency testing, and complements screening with immunoassays, gas chromatography-mass spectrometry, and liquid chromatography-diode-array detection. Other possible applications are analysis in clinical toxicology (for intoxication cases), in psychiatry (antidepressants and other psychoactive drugs), and in forensic toxicology (drugs and driving, workplace drug testing, oral fluid analysis, drug-facilitated sexual assault).

The direct injection of intense ion beams from a high field electron cyclotron resonance ion source into a radio frequency quadrupole

NASA Astrophysics Data System (ADS)

Rodrigues, G.; Becker, R.; Hamm, R. W.; Baskaran, R.; Kanjilal, D.; Roy, A.

2014-02-01

The ion current achievable from high intensity ECR sources for highly charged ions is limited by the high space charge. This makes classical extraction systems for the transport and subsequent matching to a radio frequency quadrupole (RFQ) accelerator less efficient. The direct plasma injection (DPI) method developed originally for the laser ion source avoids these problems and uses the combined focusing of the gap between the ion source and the RFQ vanes (or rods) and the focusing of the rf fields from the RFQ penetrating into this gap. For high performance ECR sources that use superconducting solenoids, the stray magnetic field of the source in addition to the DPI scheme provides focusing against the space charge blow-up of the beam. A combined extraction/matching system has been designed for a high performance ECR ion source injecting into an RFQ, allowing a total beam current of 10 mA from the ion source for the production of highly charged 238U40+ (1.33 mA) to be injected at an ion source voltage of 60 kV. In this design, the features of IGUN have been used to take into account the rf-focusing of an RFQ channel (without modulation), the electrostatic field between ion source extraction and the RFQ vanes, the magnetic stray field of the ECR superconducting solenoid, and the defocusing space charge of an ion beam. The stray magnetic field is shown to be critical in the case of a matched beam.

The direct injection of intense ion beams from a high field electron cyclotron resonance ion source into a radio frequency quadrupole.

PubMed

Rodrigues, G; Becker, R; Hamm, R W; Baskaran, R; Kanjilal, D; Roy, A

2014-02-01

The ion current achievable from high intensity ECR sources for highly charged ions is limited by the high space charge. This makes classical extraction systems for the transport and subsequent matching to a radio frequency quadrupole (RFQ) accelerator less efficient. The direct plasma injection (DPI) method developed originally for the laser ion source avoids these problems and uses the combined focusing of the gap between the ion source and the RFQ vanes (or rods) and the focusing of the rf fields from the RFQ penetrating into this gap. For high performance ECR sources that use superconducting solenoids, the stray magnetic field of the source in addition to the DPI scheme provides focusing against the space charge blow-up of the beam. A combined extraction/matching system has been designed for a high performance ECR ion source injecting into an RFQ, allowing a total beam current of 10 mA from the ion source for the production of highly charged (238)U(40+) (1.33 mA) to be injected at an ion source voltage of 60 kV. In this design, the features of IGUN have been used to take into account the rf-focusing of an RFQ channel (without modulation), the electrostatic field between ion source extraction and the RFQ vanes, the magnetic stray field of the ECR superconducting solenoid, and the defocusing space charge of an ion beam. The stray magnetic field is shown to be critical in the case of a matched beam.

High energy collisions on tandem time-of-flight mass spectrometers†

PubMed Central

Cotter, Robert J.

2013-01-01

Long before the introduction of matrix-assisted laser desorption (MALDI), electrospray ionization (ESI), Orbitraps and any of the other tools that are now used ubiquitously for proteomics and metabolomics, the highest performance mass spectrometers were sector instruments, providing high resolution mass measurements by combining an electrostatic energy analyzer (E) with a high field magnet (B). In its heyday, the four sector mass spectrometer (or EBEB) was the crown jewel, providing the highest performance tandem mass spectrometry using single, high energy collisions to induce fragmentation. During a time in which quadrupole and tandem triple quadrupole instruments were also enjoying increased usage and popularity, there were nonetheless some clear advantages for sectors over their low collision energy counterparts. Time-of-flight mass spectrometers are high voltage, high vacuum instruments that have much in common with sectors and have inspired the development of tandem instruments exploiting single high energy collisions. In this retrospective we recount our own journey to produce high performance time-of-flights and tandems, describing the basic theory, problems and the advantages for such instruments. An experiment testing impulse collision theory (ICT) underscores the similarities with sector mass spectrometers where this concept was first developed. Applications provide examples of more extensive fragmentation, side chain cleavages and charge-remote fragmentation, also characteristic of high energy sector mass spectrometers. Moreover, the so-called curved-field reflectron has enabled the design of instruments that are simpler, collect and focus all of the ions, and may provide the future technology for the clinic, for tissue imaging and the characterization of microorganisms. PMID:23519928

Quadrupole terms in the Maxwell equations: Debye-Hückel theory in quadrupolarizable solvent and self-salting-out of electrolytes.

PubMed

Slavchov, Radomir I

2014-04-28

If the molecules of a given solvent possess significant quadrupolar moment, the macroscopic Maxwell equations must involve the contribution of the density of the quadrupolar moment to the electric displacement field. This modifies the Poisson-Boltzmann equation and all consequences from it. In this work, the structure of the diffuse atmosphere around an ion dissolved in quadrupolarizable medium is analyzed by solving the quadrupolar variant of the Coulomb-Ampere's law of electrostatics. The results are compared to the classical Debye-Hückel theory. The quadrupolar version of the Debye-Hückel potential of a point charge is finite even in r = 0. The ion-quadrupole interaction yields a significant expansion of the diffuse atmosphere of the ion and, thus, it decreases the Debye-Hückel energy. In addition, since the dielectric permittivity of the electrolyte solutions depends strongly on concentration, the Born energy of the dissolved ions alters with concentration, which has a considerable contribution to the activity coefficient γ± known as the self-salting-out effect. The quadrupolarizability of the medium damps strongly the self-salting-out of the electrolyte, and thus it affects additionally γ±. Comparison with experimental data for γ± for various electrolytes allows for the estimation of the quadrupolar length of water: LQ ≈ 2 Å, in good agreement with previous assessments. The effect of quadrupolarizability is especially important in non-aqueous solutions. Data for the activity of NaBr in methanol is used to determine the quadrupolarizability of methanol with good accuracy.

Nonlinear saturation of the Weibel instability

DOE PAGES

Cagas, P.; Hakim, A.; Scales, W.; ...

2017-11-21

The growth and saturation of magnetic fields due to the Weibel instability (WI) have important implications for laboratory and astrophysical plasmas, and this has drawn significant interest recently. Since the WI can generate a large magnetic field from no initial field, the maximum magnitudes achieved can have significant consequences for a number of applications. Hence, an understanding of the detailed dynamics driving the nonlinear saturation of the WI is important. This work considers the nonlinear saturation of the WI when counter-streaming populations of initially unmagnetized electrons are perturbed by a magnetic field oriented perpendicular to the direction of streaming. Previousmore » works have found magnetic trapping to be important and connected electron skin depth spatial scales to the nonlinear saturation of the WI. The results presented in this work are consistent with these findings for a high-temperature case. However, using a high-order continuum kinetic simulation tool, this work demonstrates that when the electron populations are colder, a significant electrostatic potential develops that works with the magnetic field to create potential wells. The electrostatic field develops due to transverse flows induced by the WI and in some cases is strengthened by a secondary instability. This field plays a key role in saturation of the WI for colder populations. In conclusion, the role of the electrostatic potential in Weibel instability saturation has not been studied in detail previously.« less

Nonlinear saturation of the Weibel instability

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

Cagas, P.; Hakim, A.; Scales, W.

The growth and saturation of magnetic fields due to the Weibel instability (WI) have important implications for laboratory and astrophysical plasmas, and this has drawn significant interest recently. Since the WI can generate a large magnetic field from no initial field, the maximum magnitudes achieved can have significant consequences for a number of applications. Hence, an understanding of the detailed dynamics driving the nonlinear saturation of the WI is important. This work considers the nonlinear saturation of the WI when counter-streaming populations of initially unmagnetized electrons are perturbed by a magnetic field oriented perpendicular to the direction of streaming. Previousmore » works have found magnetic trapping to be important and connected electron skin depth spatial scales to the nonlinear saturation of the WI. The results presented in this work are consistent with these findings for a high-temperature case. However, using a high-order continuum kinetic simulation tool, this work demonstrates that when the electron populations are colder, a significant electrostatic potential develops that works with the magnetic field to create potential wells. The electrostatic field develops due to transverse flows induced by the WI and in some cases is strengthened by a secondary instability. This field plays a key role in saturation of the WI for colder populations. In conclusion, the role of the electrostatic potential in Weibel instability saturation has not been studied in detail previously.« less

MATS and LaSpec: High-precision experiments using ion traps and lasers at FAIR

NASA Astrophysics Data System (ADS)

Rodríguez, D.; Blaum, K.; Nörtershäuser, W.; Ahammed, M.; Algora, A.; Audi, G.; Äystö, J.; Beck, D.; Bender, M.; Billowes, J.; Block, M.; Böhm, C.; Bollen, G.; Brodeur, M.; Brunner, T.; Bushaw, B. A.; Cakirli, R. B.; Campbell, P.; Cano-Ott, D.; Cortés, G.; Crespo López-Urrutia, J. R.; Das, P.; Dax, A.; de, A.; Delheij, P.; Dickel, T.; Dilling, J.; Eberhardt, K.; Eliseev, S.; Ettenauer, S.; Flanagan, K. T.; Ferrer, R.; García-Ramos, J.-E.; Gartzke, E.; Geissel, H.; George, S.; Geppert, C.; Gómez-Hornillos, M. B.; Gusev, Y.; Habs, D.; Heenen, P.-H.; Heinz, S.; Herfurth, F.; Herlert, A.; Hobein, M.; Huber, G.; Huyse, M.; Jesch, C.; Jokinen, A.; Kester, O.; Ketelaer, J.; Kolhinen, V.; Koudriavtsev, I.; Kowalska, M.; Krämer, J.; Kreim, S.; Krieger, A.; Kühl, T.; Lallena, A. M.; Lapierre, A.; Le Blanc, F.; Litvinov, Y. A.; Lunney, D.; Martínez, T.; Marx, G.; Matos, M.; Minaya-Ramirez, E.; Moore, I.; Nagy, S.; Naimi, S.; Neidherr, D.; Nesterenko, D.; Neyens, G.; Novikov, Y. N.; Petrick, M.; Plaß, W. R.; Popov, A.; Quint, W.; Ray, A.; Reinhard, P.-G.; Repp, J.; Roux, C.; Rubio, B.; Sánchez, R.; Schabinger, B.; Scheidenberger, C.; Schneider, D.; Schuch, R.; Schwarz, S.; Schweikhard, L.; Seliverstov, M.; Solders, A.; Suhonen, M.; Szerypo, J.; Taín, J. L.; Thirolf, P. G.; Ullrich, J.; van Duppen, P.; Vasiliev, A.; Vorobjev, G.; Weber, C.; Wendt, K.; Winkler, M.; Yordanov, D.; Ziegler, F.

2010-05-01

Nuclear ground state properties including mass, charge radii, spins and moments can be determined by applying atomic physics techniques such as Penning-trap based mass spectrometry and laser spectroscopy. The MATS and LaSpec setups at the low-energy beamline at FAIR will allow us to extend the knowledge of these properties further into the region far from stability. The mass and its inherent connection with the nuclear binding energy is a fundamental property of a nuclide, a unique “fingerprint”. Thus, precise mass values are important for a variety of applications, ranging from nuclear-structure studies like the investigation of shell closures and the onset of deformation, tests of nuclear mass models and mass formulas, to tests of the weak interaction and of the Standard Model. The required relative accuracy ranges from 10-5 to below 10-8 for radionuclides, which most often have half-lives well below 1 s. Substantial progress in Penning trap mass spectrometry has made this method a prime choice for precision measurements on rare isotopes. The technique has the potential to provide high accuracy and sensitivity even for very short-lived nuclides. Furthermore, ion traps can be used for precision decay studies and offer advantages over existing methods. With MATS (Precision Measurements of very short-lived nuclei using an A_dvanced Trapping System for highly-charged ions) at FAIR we aim to apply several techniques to very short-lived radionuclides: High-accuracy mass measurements, in-trap conversion electron and alpha spectroscopy, and trap-assisted spectroscopy. The experimental setup of MATS is a unique combination of an electron beam ion trap for charge breeding, ion traps for beam preparation, and a high-precision Penning trap system for mass measurements and decay studies. For the mass measurements, MATS offers both a high accuracy and a high sensitivity. A relative mass uncertainty of 10-9 can be reached by employing highly-charged ions and a non-destructive Fourier-Transform Ion-Cyclotron-Resonance (FT-ICR) detection technique on single stored ions. This accuracy limit is important for fundamental interaction tests, but also allows for the study of the fine structure of the nuclear mass surface with unprecedented accuracy, whenever required. The use of the FT-ICR technique provides true single ion sensitivity. This is essential to access isotopes that are produced with minimum rates which are very often the most interesting ones. Instead of pushing for highest accuracy, the high charge state of the ions can also be used to reduce the storage time of the ions, hence making measurements on even shorter-lived isotopes possible. Decay studies in ion traps will become possible with MATS. Novel spectroscopic tools for in-trap high-resolution conversion-electron and charged-particle spectroscopy from carrier-free sources will be developed, aiming e.g. at the measurements of quadrupole moments and E0 strengths. With the possibility of both high-accuracy mass measurements of the shortest-lived isotopes and decay studies, the high sensitivity and accuracy potential of MATS is ideally suited for the study of very exotic nuclides that will only be produced at the FAIR facility.Laser spectroscopy of radioactive isotopes and isomers is an efficient and model-independent approach for the determination of nuclear ground and isomeric state properties. Hyperfine structures and isotope shifts in electronic transitions exhibit readily accessible information on the nuclear spin, magnetic dipole and electric quadrupole moments as well as root-mean-square charge radii. The dependencies of the hyperfine splitting and isotope shift on the nuclear moments and mean square nuclear charge radii are well known and the theoretical framework for the extraction of nuclear parameters is well established. These extracted parameters provide fundamental information on the structure of nuclei at the limits of stability. Vital information on both bulk and valence nuclear properties are derived and an exceptional sensitivity to changes in nuclear deformation is achieved. Laser spectroscopy provides the only mechanism for such studies in exotic systems and uniquely facilitates these studies in a model-independent manner.The accuracy of laser-spectroscopic-determined nuclear properties is very high. Requirements concerning production rates are moderate; collinear spectroscopy has been performed with production rates as few as 100 ions per second and laser-desorption resonance ionization mass spectroscopy (combined with β-delayed neutron detection) has been achieved with rates of only a few atoms per second.This Technical Design Report describes a new Penning trap mass spectrometry setup as well as a number of complementary experimental devices for laser spectroscopy, which will provide a complete system with respect to the physics and isotopes that can be studied. Since MATS and LaSpec require high-quality low-energy beams, the two collaborations have a common beamline to stop the radioactive beam of in-flight produced isotopes and prepare them in a suitable way for transfer to the MATS and LaSpec setups, respectively.

Orthogonal Injection Ion Funnel Interface Providing Enhanced Performance for Selected Reaction Monitoring-Triple Quadrupole Mass Spectrometry

DOE PAGES

Chen, Tsung-Chi; Fillmore, Thomas L.; Prost, Spencer A.; ...

2015-06-24

The electrodynamic ion funnel facilitates efficient focusing and transfer of charged particles in the higher pressure regions (e.g. ion source interfaces) of mass spectrometers, and thus providing increased sensitivity. An “off-axis” ion funnel design has been developed to reduce the source contamination and interferences from, e.g. ESI droplet residue and other poorly focused neutral or charged particles with very high mass-to charge ratios. In this study a dual ion funnel interface consisting of an orthogonal higher pressure electrodynamic ion funnel (HPIF) and an ion funnel trap combined with a triple quadruple mass spectrometer was developed and characterized. An orthogonal ionmore » injection inlet and a repeller plate electrode was used to direct ions to an ion funnel HPIF at 9-10 Torr pressure. Several critical factors for the HPIF were characterized, including the effects of RF amplitude, DC gradient and operating pressure. Compared to the triple quadrupole standard interface more than 4-fold improvement in the limit of detection for the direct quantitative MS analysis of low abundance peptides was observed. Lastly, the sensitivity enhancement in liquid chromatography selected reaction monitoring (SRM) analyses of low abundance peptides spiked into a highly complex mixture was also compared with that obtained using a both commercial s-lens interface and a in-line dual ion funnel interface.« less

Comparison of Chemical Constituents in Scrophulariae Radix Processed by Different Methods based on UFLC-MS Combined with Multivariate Statistical Analysis.

PubMed

Wang, Shengnan; Hua, Yujiao; Zou, Lisi; Liu, Xunhong; Yan, Ying; Zhao, Hui; Luo, Yiyuan; Liu, Juanxiu

2018-02-01

Scrophulariae Radix is one of the most popular traditional Chinese medicines (TCMs). Primary processing of Scrophulariae Radix is an important link which closely related to the quality of products in this TCM. The aim of this study is to explore the influence of different processing methods on chemical constituents in Scrophulariae Radix. The difference of chemical constituents in Scrophulariae Radix processed by different methods was analyzed by using ultra fast liquid chromatography-triple quadrupole-time of flight mass spectrometry coupled with principal component analysis and orthogonal partial least squares discriminant analysis. Furthermore, the contents of 12 index differential constituents in Scrophulariae Radix processed by different methods were simultaneously determined by using ultra fast liquid chromatography coupled with triple quadrupole-linear ion trap mass spectrometry. Gray relational analysis was performed to evaluate the different processed samples according to the contents of 12 constituents. All of the results demonstrated that the quality of Scrophulariae Radix processed by "sweating" method was better. This study will provide the basic information for revealing the change law of chemical constituents in Scrophulariae Radix processed by different methods and facilitating selection of the suitable processing method of this TCM. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

mzStudio: A Dynamic Digital Canvas for User-Driven Interrogation of Mass Spectrometry Data.

PubMed

Ficarro, Scott B; Alexander, William M; Marto, Jarrod A

2017-08-01

Although not yet truly 'comprehensive', modern mass spectrometry-based experiments can generate quantitative data for a meaningful fraction of the human proteome. Importantly for large-scale protein expression analysis, robust data pipelines are in place for identification of un-modified peptide sequences and aggregation of these data to protein-level quantification. However, interoperable software tools that enable scientists to computationally explore and document novel hypotheses for peptide sequence, modification status, or fragmentation behavior are not well-developed. Here, we introduce mzStudio, an open-source Python module built on our multiplierz project. This desktop application provides a highly-interactive graphical user interface (GUI) through which scientists can examine and annotate spectral features, re-search existing PSMs to test different modifications or new spectral matching algorithms, share results with colleagues, integrate other domain-specific software tools, and finally create publication-quality graphics. mzStudio leverages our common application programming interface (mzAPI) for access to native data files from multiple instrument platforms, including ion trap, quadrupole time-of-flight, Orbitrap, matrix-assisted laser desorption ionization, and triple quadrupole mass spectrometers and is compatible with several popular search engines including Mascot, Proteome Discoverer, X!Tandem, and Comet. The mzStudio toolkit enables researchers to create a digital provenance of data analytics and other evidence that support specific peptide sequence assignments.

Ion source based on the cathodic arc

DOEpatents

Sanders, D.M.; Falabella, S.

1994-02-01

A cylindrically symmetric arc source to produce a ring of ions which leave the surface of the arc target radially and are reflected by electrostatic fields present in the source to a point of use, such as a part to be coated, is described. An array of electrically isolated rings positioned in the source serves the dual purpose of minimizing bouncing of macroparticles and providing electrical insulation to maximize the electric field gradients within the source. The source also includes a series of baffles which function as a filtering or trapping mechanism for any macroparticles. 3 figures.

Adiabatic description of long range frequency sweeping

NASA Astrophysics Data System (ADS)

Breizman, Boris; Nyqvist, Robert; Lilley, Matthew

2012-10-01

A theoretical framework is developed to describe long range frequency sweeping events in the 1D electrostatic bump-on-tail model with fast particle sources and collisions. The model includes three collision operators (Krook, drag (dynamical friction) and velocity space diffusion), and allows for a general shape of the fast particle distribution function. The behavior of phase space holes and clumps is analyzed, and the effect of particle trapping due to separatrix expansion is discussed. With a fast particle distribution function whose slope decays above the resonant phase velocity, hooked frequency sweeping is found for holes in the presence of drag collisions alone.

Collision cross section measurements for biomolecules within a high-resolution FT-ICR cell: theory.

PubMed

Guo, Dan; Xin, Yi; Li, Dayu; Xu, Wei

2015-04-14

In this study, an energetic hard-sphere ion-neutral collision model was proposed to bridge-link ion collision cross section (CCS) with the image current collected from a high-resolution Fourier transform ion cyclotron resonance (FT-ICR) cell. By investigating the nonlinear effects induced by high-order electric fields and image charge forces, the energetic hard-sphere collision model was validated through experiments. Suitable application regions for the energetic hard-sphere collision model, as well as for the conventional Langevin and hard-sphere collision models, were also discussed. The energetic hard-sphere collision model was applied in the extraction of ion CCSs from high-resolution FT-ICR mass spectra. Discussions in the present study also apply to FT-Orbitraps and FT-quadrupole ion traps.

Metabolite fingerprinting of Camptotheca acuminata and the HPLC-ESI-MS/MS analysis of camptothecin and related alkaloids.

PubMed

Montoro, Paola; Maldini, Mariateresa; Piacente, Sonia; Macchia, Mario; Pizza, Cosimo

2010-01-20

The major phytochemical constituents, namely, alkaloids, flavonoids and ellagic acid derivatives, of leaves of Camptotheca acuminata were identified using high performance liquid chromatography (HPLC) coupled with electrospray mass spectrometry (ESI-MS) in extracts of plants cultivated in Italy and collected at different growth stages. Alkaloids related to camptothecin were identified and quantified by HPLC coupled with ESI-tandem mass spectrometry (MS/MS) employing, respectively, an ion trap and a triple quadrupole mass analyser. The fragmentation patterns of alkaloids related to camptothecin were analysed and a specific Multiple Reaction Monitoring HPLC-MS/MS method was developed for the quantitative determination of these constituents. The described method provides high sensitivity and specificity for the characterisation and quantitative determination of the alkaloids in C. acuminata.

Exponential gain of randomness certified by quantum contextuality

NASA Astrophysics Data System (ADS)

Um, Mark; Zhang, Junhua; Wang, Ye; Wang, Pengfei; Kim, Kihwan

2017-04-01

We demonstrate the protocol of exponential gain of randomness certified by quantum contextuality in a trapped ion system. The genuine randomness can be produced by quantum principle and certified by quantum inequalities. Recently, randomness expansion protocols based on inequality of Bell-text and Kochen-Specker (KS) theorem, have been demonstrated. These schemes have been theoretically innovated to exponentially expand the randomness and amplify the randomness from weak initial random seed. Here, we report the experimental evidence of such exponential expansion of randomness. In the experiment, we use three states of a 138Ba + ion between a ground state and two quadrupole states. In the 138Ba + ion system, we do not have detection loophole and we apply a methods to rule out certain hidden variable models that obey a kind of extended noncontextuality.

Representation of the quantum Fourier transform on multilevel basic elements by a sequence of selective rotation operators

NASA Astrophysics Data System (ADS)

Ermilov, A. S.; Zobov, V. E.

2007-12-01

To experimentally realize quantum computations on d-level basic elements (qudits) at d > 2, it is necessary to develop schemes for the technical realization of elementary logical operators. We have found sequences of selective rotation operators that represent the operators of the quantum Fourier transform (Walsh-Hadamard matrices) for d = 3-10. For the prime numbers 3, 5, and 7, the well-known method of linear algebra is applied, whereas, for the factorable numbers 6, 9, and 10, the representation of virtual spins is used (which we previously applied for d = 4, 8). Selective rotations can be realized, for example, by means of pulses of an RF magnetic field for systems of quadrupole nuclei or laser pulses for atoms and ions in traps.

An Optical Trap for Relativistic Plasma

NASA Astrophysics Data System (ADS)

Zhang, Ping

2002-11-01

Optical traps have achieved remarkable success recently in confining ultra-cold matter.Traps capable of confining ultra-hot matter, or plasma, have also been built for applications such as basic plasma research and thermonuclear fusion. For instance, low-density plasmas with temperature less than 1 keV have been confined with static magnetic fields in Malmberg-Penning traps. Low-density 10-50 keV plasmas are confined in magnetic mirrors and tokamaks. High density plasmas have been trapped in optical traps with kinetic energies up to 10 keV [J. L. Chaloupka and D. D. Meyerhofer, Phys. Rev. Lett. 83, 4538 (1999)]. We present the results of experiment, theory and numerical simulation on an optical trap capable of confining relativistic plasma. A stationary interference grating with submicron spacing is created when two high-power (terawatt) laser pulses of equal wavelength (1-micron) are focused from orthogonal directions to the same point in space and time in high density underdense plasma. Light pressure gradients bunch electrons into sheets located at the minima of the interference pattern. The density of the bunched electrons is found to be up to ten times the background density, which is orders-of-magnitude above that previously reported for other optical traps or plasma waves. The amplitudes and frequencies of multiple satellites in the scattered spectrum also indicate the presence of a highly nonlinear ion wave and an electron temperature about 100 keV. Energy transfer from the stronger beam to the weaker beam is also observed. Potential applications include a test-bed for detailed studies of relativistic nonlinear scattering, a positron source and an electrostatic wiggler. This research is also relevant to fast igniter fusion or ion acceleration experiments, in which laser pulses with intensities comparable to those used in the experiment may also potentially beat [Y. Sentoku, et al., Appl. Phys. B 74, 207215 (2002)]. The details of a specific application, the injection of electrons into laser-driven plasma waves, will also be presented. With crossed beams, the energy of a laser-accelerated electron beam is increased and its emittance is decreased compared with a single beam, potentially paving the way towards an all-optical monoenergetic electron injector.