Behaviour of quadrupole mass spectrometer towards noble gases

International Nuclear Information System (INIS)

Hasibullah

1980-01-01

This paper describes a quadrupole mass spectrometric set-up for noble gas analysis with its potential application to material accountancy at the input accountability tank of a reprocessing facility. Linear dependence of ion source pressure on the inlet pressure was considered to be practicable criterion for the functionality of the instrument. Short term and long term sensitivity variations have also been discussed. No memory effect was observed under the experimental conditions. (author)

Development of a totally computer-controlled triple quadrupole mass spectrometer system

International Nuclear Information System (INIS)

Wong, C.M.; Crawford, R.W.; Barton, V.C.; Brand, H.R.; Neufeld, K.W.; Bowman, J.E.

1983-01-01

A totally computer-controlled triple quadrupole mass spectrometer (TQMS) is described. It has a number of unique features not available on current commercial instruments, including: complete computer control of source and all ion axial potentials; use of dual computers for data acquisition and data processing; and capability for self-adaptive control of experiments. Furthermore, it has been possible to produce this instrument at a cost significantly below that of commercial instruments. This triple quadrupole mass spectrometer has been constructed using components commercially available from several different manufacturers. The source is a standard Hewlett-Packard 5985B GC/MS source. The two quadrupole analyzers and the quadrupole CAD region contain Balzers QMA 150 rods with Balzers QMG 511 rf controllers for the analyzers and a Balzers QHS-511 controller for the CAD region. The pulsed-positive-ion-negative-ion-chemical ionization (PPINICI) detector is made by Finnigan Corporation. The mechanical and electronics design were developed at LLNL for linking these diverse elements into a functional TQMS as described. The computer design for total control of the system is unique in that two separate LSI-11/23 minicomputers and assorted I/O peripherals and interfaces from several manufacturers are used. The evolution of this design concept from totally computer-controlled instrumentation into future self-adaptive or ''expert'' systems for instrumental analysis is described. Operational characteristics of the instrument and initial results from experiments involving the analysis of the high explosive HMX (1,3,5,7-Tetranitro-1,3,5,7-Tetrazacyclooctane) are presented

Comparison of ion coupling strategies for a microengineered quadrupole mass filter.

Science.gov (United States)

Wright, Steven; Syms, Richard R A; O'Prey, Shane; Hong, Guodong; Holmes, Andrew S

2009-01-01

The limitations of conventional machining and assembly techniques require that designs for quadrupole mass analyzers with rod diameters less than a millimeter are not merely scale versions of larger instruments. We show how silicon planar processing techniques and microelectromechanical systems (MEMS) design concepts can be used to incorporate complex features into the construction of a miniature quadrupole mass filter chip that could not easily be achieved using other microengineering approaches. Three designs for the entrance and exit to the filter consistent with the chosen materials and techniques have been evaluated. The differences between these seemingly similar structures have a significant effect on the performance. Although one of the designs results in severe attenuation of transmission with increasing mass, the other two can be scanned to m/z = 400 without any corruption of the mass spectrum. At m/z = 219, the variation in the transmission of the three designs was found to be approximately four orders of magnitude. A maximum resolution of M/DeltaM = 87 at 10% peak height has been achieved at m/z = 219 with a filter operated at 6 MHz and constructed using rods measuring (508 +/- 5) microm in diameter.

Portable, remotely operated, computer-controlled, quadrupole mass spectrometer for field use

International Nuclear Information System (INIS)

Friesen, R.D.; Newton, J.C.; Smith, C.F.

1982-04-01

A portable, remote-controlled mass spectrometer was required at the Nevada Test Site to analyze prompt post-event gas from the nuclear cavity in support of the underground testing program. A Balzers QMG-511 quadrupole was chosen for its ability to be interfaced to a DEC LSI-11 computer and to withstand the ground movement caused by this field environment. The inlet system valves, the pumps, the pressure and temperature transducers, and the quadrupole mass spectrometer are controlled by a read-only-memory-based DEC LSI-11/2 with a high-speed microwave link to the control point which is typically 30 miles away. The computer at the control point is a DEC LSI-11/23 running the RSX-11 operating system. The instrument was automated as much as possible because the system is run by inexperienced operators at times. The mass spectrometer has been used on an initial field event with excellent performance. The gas analysis system is described, including automation by a novel computer control method which reduces operator errors and allows dynamic access to the system parameters

Inductively coupled plasma mass spectrometry with a twin quadrupole instrument using laser ablation sample introduction and monodisperse dried microparticulate injection

Energy Technology Data Exchange (ETDEWEB)

Allen, Lloyd A. [Iowa State Univ., Ames, IA (United States)

1996-10-17

The focus of this dissertation is the use of a twin quadrupole inductively coupled plasma mass spectrometer (ICP-MS) for the simultaneous detection of two m/z values. The twin quadrupole ICP-MS is used with laser ablation sample introduction in both the steady state (10 Hz) and single pulse modes. Steady state signals are highly correlated and the majority of flicker noise cancels when the ratio is calculated. Using a copper sample, the isotope ratio ⁶³Cu⁺/⁶⁵Cu⁺ is measured with a relative standard deviation (RSD) of 0.26%. Transient signals for single laser pulses are also obtained. Copper isotope ratio measurements for several laser pulses are measured with an RSD of 0.85%. Laser ablation (LA) is used with steel samples to assess the ability of the twin quadrupole ICP-MS to eliminate flicker noise of minor components of steel samples. Isotopic and internal standard ratios are measured in the first part of this work. The isotope ratio ⁵²Cr⁺/⁵³Cr⁺ (Cr present at 1.31 %) can be measured with an RSD of 0.06 % to 0.1 %. For internal standard elements, RSDs improve from 1.9 % in the Cr⁺ signal to 0.12% for the ratio of ⁵¹V⁺ to ⁵²Cr⁺. In the second part of this work, one mass spectrometer is scanned while the second channel measures an individual m/z value. When the ratio of these two signals is calculated, the peak shapes in the mass spectrum are improved significantly. Pulses of analyte and matrix ions from individual drops are measured simultaneously using the twin quadrupole ICP-MS with monodisperse dried microparticulate injection (MDMI). At modest Pb concentrations (500 ppm), a shoulder on the leading edge of the Li⁺ signal becomes apparent. Space charge effects are consistent with the disturbances seen.

A quadrupole mass spectrometer system for nuclear safeguards applications

International Nuclear Information System (INIS)

Evans, P.J.

1987-12-01

An on-line enrichment monitor for nuclear safeguards-related surveillance of a pilot-scale gas centrifuge plant is described. This monitor utilises a quadrupole mass spectrometer to measure the isotopic composition of UF 6 in the feed and product gas streams. Details of the design and construction are given, and several difficulties are identified and discussed. Finally, the performance of this system is illustrated with typical results

Analytical applications of ion/molecule reactions in a triple quadrupole mass spectrometer

International Nuclear Information System (INIS)

Kinter, M.T.

1986-01-01

The development of triple quadrupole mass spectrometers as a means of performing tandem mass spectrometry has provided a versatile instrument on which the ion/molecule reactions of a mass selected ion can be studied. This dissertation details the application of ion/molecule reactions in a triple quadrupole to two analytical problems. Part I. Ion/Molecule Reactions of Ammonia with Translationally Excited C 2 H 5 O + /Ions. The ability to impart low center-of-mass translational energies, which upon collision are converted into internal energy, allows the observation of reactions that require energy input. In addition, the systematic variation of the ion kinetic energy, often referred to as energy-resolved mass spectrometer, adds another dimension to the mass spectrum and can allow the observation of thresholds for reactions requiring energy input. This investigation develops methods for determining these thresholds. Part 2. The Use of Ion/Molecule Reactions in selected Reaction Monitoring GC/MSD/MS Analyses. An approach to improving the selectivity of an analysis is to improve the selectivity of the detection method. In GC/MS, one method has been to monitor a selected fragmentation reaction, either metastable or collisionally activated, in a selected reaction monitoring (SRM) analysis. This develops the use of ion/molecule reactions for selected reaction monitoring analyses

Simultaneous analysis of nucleobases, nucleosides and ginsenosides in ginseng extracts using supercritical fluid chromatography coupled with single quadrupole mass spectrometry.

Science.gov (United States)

Huang, Yang; Zhang, Tingting; Zhao, Yumei; Zhou, Haibo; Tang, Guangyun; Fillet, Marianne; Crommen, Jacques; Jiang, Zhengjin

2017-09-10

Nucleobases, nucleosides and ginsenosides, which have a significant impact on the physiological activity of organisms, are reported to be the active components of ginseng, while they are less present in ginseng extracts. Few analytical methods have been developed so far to simultaneously analyze these three classes of compounds with different polarities present in ginseng extracts. In the present study, a simple and efficient analytical method was successfully developed for the simultaneous separation of 17 nucleobases, nucleosides and ginsenosides in ginseng extracts using supercritical fluid chromatography coupled with single quadrupole mass spectrometry (SFC-MS). The effect of various experimental factors on the separation performance, such as the column type, temperature and backpressure, the type of modifier and additive, and the concentration of make-up solvent were systematically investigated. Under the selected conditions, the developed method was successfully applied to the quality evaluation of 14 batches of ginseng extracts from different origins. The results obtained for the different batches indicate that this method could be employed for the quality assessment of ginseng extracts. Copyright © 2017 Elsevier B.V. All rights reserved.

Rescuing the nonjet (NJ) azimuth quadrupole from the flow narrative

Science.gov (United States)

Trainor, Thomas A.

2017-04-01

According to the flow narrative commonly applied to high-energy nuclear collisions a cylindrical-quadrupole component of 1D azimuth angular correlations is conventionally denoted by quantity υ2 and interpreted to represent elliptic flow. Jet angular correlations may also contribute to υ2 data "nonflow" depending on the method used to calculate υ2, but 2D graphical methods are available to insure accurate separation. The nonjet (NJ) quadrupole has various properties inconsistent with a flow interpretation, including the observation that NJ quadrupole centrality variation in A-A collisions has no relation to strongly-varying jet modication ("jet quenching") in those collisions commonly attributed to jet interaction with a flowing dense medium. In this presentation I describe isolation of quadrupole spectra from pt-differential υ2(pt) data from the RHIC and LHC. I demonstrate that quadrupole spectra have characteristics very different from the single-particle spectra for most hadrons, that quadrupole spectra indicate a common boosted hadron source for a small minority of hadrons that "carry" the NJ quadrupole structure, that the narrow source-boost distribution is characteristic of an expanding thin cylindrical shell (strongly contradicting hydro descriptions), and that in the boost frame a single universal quadrupole spectrum (Lévy distribution) on transverse mass mt accurately describes data for several hadron species scaled according to their statistical-model abundances. The quadrupole spectrum shape changes very little from RHIC to LHC energies. Taken in combination those characteristics strongly suggest a unique nonflow (and nonjet) QCD mechanism for the NJ quadrupole conventionally represented by υ2.

Rescuing the nonjet (NJ azimuth quadrupole from the flow narrative

Directory of Open Access Journals (Sweden)

Trainor Thomas A.

2017-01-01

Full Text Available According to the flow narrative commonly applied to high-energy nuclear collisions a cylindrical-quadrupole component of 1D azimuth angular correlations is conventionally denoted by quantity υ2 and interpreted to represent elliptic flow. Jet angular correlations may also contribute to υ2 data “nonflow” depending on the method used to calculate υ2, but 2D graphical methods are available to insure accurate separation. The nonjet (NJ quadrupole has various properties inconsistent with a flow interpretation, including the observation that NJ quadrupole centrality variation in A-A collisions has no relation to strongly-varying jet modication (“jet quenching” in those collisions commonly attributed to jet interaction with a flowing dense medium. In this presentation I describe isolation of quadrupole spectra from pt-differential υ2(pt data from the RHIC and LHC. I demonstrate that quadrupole spectra have characteristics very different from the single-particle spectra for most hadrons, that quadrupole spectra indicate a common boosted hadron source for a small minority of hadrons that “carry” the NJ quadrupole structure, that the narrow source-boost distribution is characteristic of an expanding thin cylindrical shell (strongly contradicting hydro descriptions, and that in the boost frame a single universal quadrupole spectrum (Lévy distribution on transverse mass mt accurately describes data for several hadron species scaled according to their statistical-model abundances. The quadrupole spectrum shape changes very little from RHIC to LHC energies. Taken in combination those characteristics strongly suggest a unique nonflow (and nonjet QCD mechanism for the NJ quadrupole conventionally represented by υ2.

Determination of the isotopic ratio 235U/238U in UF6 using quadrupole mass spectrometry

International Nuclear Information System (INIS)

Kusahara, Helena Sueco

1979-01-01

In this work measurements of isotope ratios 235 U / 23 '8U in uranium hexafluoride are carried out using a quadrupole mass spectrometer. The operational parameters, which affect the final precision of the results, are standardized. Optimized procedures for the preparation of uranium hexafluoride samples by fluorination of uranium oxides using cobalt trifluoride method are established. Careful attention is given to the process of purification of uranium hexafluoride samples by fractional distillation. Adequate statistical methods for analysing the results obtained for single ratio measurements as well as the ratio ' of isotopic ratios of sample and standard ar.e developed. A precision of about 10 -4 for single ratio measurements and accuracy of about 0,3% for the ratio of sample and standard ratios are obtained. These results agree with the values which have been obtained using magnetic mass spectrometers. The procedures and methods established in this work can be employed in the systematic uranium isotope analysis in UF 6 form. (author)

Interfacing an aspiration ion mobility spectrometer to a triple quadrupole mass spectrometer

International Nuclear Information System (INIS)

Adamov, Alexey; Viidanoja, Jyrki; Kaerpaenoja, Esko; Paakkanen, Heikki; Ketola, Raimo A.; Kostiainen, Risto; Sysoev, Alexey; Kotiaho, Tapio

2007-01-01

This article presents the combination of an aspiration-type ion mobility spectrometer with a mass spectrometer. The interface between the aspiration ion mobility spectrometer and the mass spectrometer was designed to allow for quick mounting of the aspiration ion mobility spectrometer onto a Sciex API-300 triple quadrupole mass spectrometer. The developed instrumentation is used for gathering fundamental information on aspiration ion mobility spectrometry. Performance of the instrument is demonstrated using 2,6-di-tert-butyl pyridine and dimethyl methylphosphonate

Generalized Kerr spacetime with an arbitrary mass quadrupole moment: geometric properties versus particle motion

International Nuclear Information System (INIS)

Bini, Donato; Geralico, Andrea; Luongo, Orlando; Quevedo, Hernando

2009-01-01

An exact solution of Einstein's field equations in empty space first found in 1985 by Quevedo and Mashhoon is analyzed in detail. This solution generalizes Kerr spacetime to include the case of matter with an arbitrary mass quadrupole moment and is specified by three parameters, the mass M, the angular momentum per unit mass a and the quadrupole parameter q. It reduces to the Kerr spacetime in the limiting case q = 0 and to the Erez-Rosen spacetime when the specific angular momentum a vanishes. The geometrical properties of such a solution are investigated. Causality violations, directional singularities and repulsive effects occur in the region close to the source. Geodesic motion and accelerated motion are studied on the equatorial plane which, due to the reflection symmetry property of the solution, also turns out to be a geodesic plane.

Study of the intrinsic background noise of a quadrupole mass spectrometer

International Nuclear Information System (INIS)

Sysoev, A.A.; Islamov, I.M.; Khafizov, R.S.

1977-01-01

A proper background noise of a quadrupole mass-spectrometer is studied. The main sources of the noise have been analysed as well as their contributions to the overall noise of the device. It is shown that the main contribution is made by the photocurrent of the first dynode of the secondary-electron multiplier from ultraviolet radiation. The construction of the detecting system of the mass-spectrometer is given allowing one to increase the signal-to-noise ratio by a factor of > 500

Single particle analysis of TiO2 in candy products using triple quadrupole ICP-MS.

Science.gov (United States)

Candás-Zapico, S; Kutscher, D J; Montes-Bayón, M; Bettmer, J

2018-04-01

Titanium dioxide (TiO 2 ) belongs to the materials that have gained great importance in many applications. In its particulate form (micro- or nanoparticles), it has entered a huge number of consumer products and food-grade TiO 2 , better known as E171 within the European Union, represents an important food additive. Thus, there is an increasing need for analytical methods able to detect and quantify such particles. In this regard, inductively coupled-mass spectrometry (ICP-MS), in particular single particle ICP-MS (spICP-MS), has gained importance due to its simplicity and ease of use. Nevertheless, the number of applications for Ti nanoparticles is rather limited. In this study, we have applied the spICP-MS strategy by comparing different measuring modes available in triple quadrupole ICP-MS. First, single quadrupole mode using the collision/reaction cell system was selected for monitoring the isotope 47 Ti. Different cell gases like He, O 2 and NH 3 were tested under optimised conditions for its applicability in spICP-MS of standard suspensions of TiO 2 . The determined analytical figures of merit were compared to those obtained by triple quadrupole mode using the 47 Ti or 48 Ti reaction products using O 2 and NH 3 as reaction gases. This comparison demonstrated that the triple quadrupole mode (TQ mode) was superior in terms of sensitivity due to the more efficient removal of spectral interferences. Particle size detection limits down to 26nm were obtained using the best instrumental conditions for TiO 2 particles at a dwell time of 10ms. Finally, the different measuring modes were applied to the analysis of chewing gum samples after a simple extraction procedure using an ultrasonic bath. The obtained results showed a good agreement for the detected particle size range using the different TQ modes. The size range of TiO 2 particles was determined to be between approximately 30 and 200nm, whereas roughly 40% of the particles were smaller than 100nm. For the

SSC collider quadrupole cold mass design and development

International Nuclear Information System (INIS)

Farrell, R.A.; Murray, F.S.; Jonas, P.A.; Mischler, W.R.; Blecher, L.

1992-01-01

Approximately 1,664 focussing and defocussing superconducting quadrupoles are required for the two SSC collider rings. Collider quadruple magnets (CQMS) must satisfy stringent performance, reliability, life and low cost criteria. Performance requirements include field uniformity, training, quench, tracking, thermal cycling and alignment. The CQM cold mass design presented incorporates lessons IGC and Alsthom Intermagnetics S.A. (AISA), our joint venture with GEC-Alsthom, learned in the design, development and manufacture of 500 MRI, 160 high-field custom and 126 HERA quadruple superconducting magnets. This baseline design reflects careful quantitative assessment of coil winding placement and collar material, evaluation of field uniformity and mechanical performance of the magnet coil ends using 3-D modeling and analysis, and considers tolerance and process variability. Selected CQM cold mass design highlights and a proposed prototype development program that allows incorporation of test feedback into the design to minimize risk are detailed in this paper. This information may be helpful to SSCL in the design and development of prototype CQM'S

Data acquisition and control system for quadrupole mass spectrometer using an add-on card to an IBM PC

International Nuclear Information System (INIS)

Paal, A.; Szadai, J.; Szekely, G.

1991-01-01

An RF/DC unit, a dedicated interface card and the PCQMS software was designed to upgrade the existing quadrupole mass spectrometer of ATOMKI series Q300C to Q300PC. The new units and the software features are described. Display modes, all in high resolution graphics are provided to include ion monitoring table, ion monitoring analog, intensity vs time or temperature, scan bargraph and scan analog. The quadrupole mass spectrometer performance has been improved by the new modifications for data acquisition and control to be accomplished automatically. (R.P.) 3 refs.; 4 figs

A gas monitoring facility with a quadrupole mass spectrometer for the ZEUS transition-radiation chambers

International Nuclear Information System (INIS)

Kapp, U.

1988-07-01

A gas analysis facility for the ZEUS transition-radiation chambers based on a quadrupole mass spectrometer is described. After a description of the spectrometer, the vacuum system, and the software, some test results are presented. (HSI)

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

Energy Technology Data Exchange (ETDEWEB)

Bodin, A.; Laloo, R.; Abeilhou, P.; Guiraud, L.; Gauthier, S.; Martrou, D. [Nanosciences Group, CEMES, CNRS UPR 8011 and University Toulouse III - Paul Sabatier, 29 rue Jeanne Marvig, BP94347, F-31055 Toulouse Cedex 4 (France)

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 results 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.

[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].

Science.gov (United States)

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.

Comprehensive two-dimensional gas chromatography in combination with rapid scanning quadrupole mass spectrometry in perfume analysis.

Science.gov (United States)

Mondello, Luigi; Casillia, Alessandro; Tranchida, Peter Quinto; Dugo, Giovanni; Dugo, Paola

2005-03-04

Single column gas chromatography (GC) in combination with a flame ionization detector (FID) and/or a mass spectrometer is routinely employed in the determination of perfume profiles. The latter are to be considered medium to highly complex matrices and, as such, can only be partially separated even on long capillaries. Inevitably, several monodimensional peaks are the result of two or more overlapping components, often hindering reliable identification and quantitation. The present investigation is based on the use of a comprehensive GC (GC x GC) method, in vacuum outlet conditions, for the near to complete resolution of a complex perfume sample. A rapid scanning quadrupole mass spectrometry (qMS) system, employed for the assignment of GC x GC peaks, supplied high quality mass spectra. The validity of the three-dimensional (3D) GC x GC-qMS application was measured and compared to that of GC-qMS analysis on the same matrix. Peak identification, in all applications, was achieved through MS spectra library matching and the interactive use of linear retention indices (LRI).

Magnetic field measurements of LHC inner triplet quadrupoles fabricated at Fermilab

International Nuclear Information System (INIS)

Velev, G.V.; Bossert, R.; Carcagno, R.; DiMarco, J.; Feher, S.; Kashikhin, V.V.; Kerby, J.; Lamm, M.; Orris, D.; Schlabach, P.; Strait, J.

2006-01-01

Fermilab, as part of the US-LHC Accelerator Project, is producing superconducting low-beta quadrupole magnets for the Large Hadron Collider (LHC). These 5.5 m long magnets are designed to operate in superfluid helium at 1.9 K with a nominal gradient of 205 T/m in the 70 mm bore. Two quadrupoles separated by a dipole orbit corrector in a single cryogenic assembly comprise the Q2 optical elements of the final focus triplets in the LHC interaction regions. The field quality of the quadrupoles is measured at room temperature during construction of the cold masses as well as during cold testing of the cryogenic assembly. We summarize data from the series measurements of the magnets and discuss various topics of interest

Magnetic field measurements of LHC inner triplet quadrupoles fabricated at Fermilab

Energy Technology Data Exchange (ETDEWEB)

Velev, G.V.; Bossert, R.; Carcagno, R.; DiMarco, J.; Feher, S.; Kashikhin, V.V.; Kerby, J.; Lamm, M.; Orris, D.; Schlabach, P.; Strait, J.; /Fermilab

2006-08-01

Fermilab, as part of the US-LHC Accelerator Project, is producing superconducting low-beta quadrupole magnets for the Large Hadron Collider (LHC). These 5.5 m long magnets are designed to operate in superfluid helium at 1.9 K with a nominal gradient of 205 T/m in the 70 mm bore. Two quadrupoles separated by a dipole orbit corrector in a single cryogenic assembly comprise the Q2 optical elements of the final focus triplets in the LHC interaction regions. The field quality of the quadrupoles is measured at room temperature during construction of the cold masses as well as during cold testing of the cryogenic assembly. We summarize data from the series measurements of the magnets and discuss various topics of interest.

Centering of quadrupole family

International Nuclear Information System (INIS)

Pinayev, Igor

2007-01-01

A procedure for finding the individual centers for a family of quadrupoles fed with a single power supply is described. The method is generalized for using the correctors adjacent to the quadrupoles. Theoretical background is presented as well as experimental data for the NSLS rings. The method accuracy is also discussed

Double-photoionization of helium including quadrupole radiation effects

Energy Technology Data Exchange (ETDEWEB)

Colgan, James [Los Alamos National Laboratory; Ludlow, J A [AUBURN UNIV; Lee, Teck - Ghee [AUBURN UNIV; Pindzola, M S [AUBURN UNIV; Robicheaux, F [AUBURN UNIV

2009-01-01

Non-perturbative time-dependent close-coupling calculations are carried out for the double photoionization of helium including both dipole and quadrupole radiation effects. At a photon energy of 800 eV, accessible at CUlTent synchrotron light sources, the quadrupole interaction contributes around 6% to the total integral double photoionization cross section. The pure quadrupole single energy differential cross section shows a local maxima at equal energy sharing, as opposed to the minimum found in the pure dipole single energy differential cross section. The sum of the pure dipole and pure quadrupole single energy differentials is insensitive to non-dipole effects at 800 eV. However, the triple differential cross section at equal energy sharing of the two ejected electrons shows strong non-dipole effects due to the quadrupole interaction that may be experimentally observable.

Application of quadrupole mass spectrometer to the 40Ar-39Ar geochronological study

International Nuclear Information System (INIS)

Takigami, Yutaka; Nishijima, Tadashi; Koike, Toshio; Okuma, Kouichi.

1984-01-01

A Quadrupole Mass Spectrometer (QMS) has commonly been used for qualitative analyses of gases in organic chemistry or for monitoring the vacuum conditions in industrial machines. No attempt has been made, however, to apply it to geochronological studies because of its disadvantages such as the difficulty in obtaining precise isotope ratios due to triangular peak shapes and poor reproducibility. On the other hand, there are advantages that a QMS is relatively inexpensive and gives a shorter scanning time for analysis compared with a sector type mass spectrometer. The latter characteristics is useful for 40 Ar/ 39 Ar geochronological studies, since it gives a lower background in the QMS and the possibility to obtain many more data from one sample in a limited time. In this study, we have tried to improve a commercial QMS at many parts, such as rf-generator, quadrupole, ionization chamber, source magnet, and so on, in order to meet the requirements to use it for geochronological studies. With the use of the improved QMS equipped with an on-line microcomputer, we could obtain Ar isotope data which are sufficiently precise for the 40 Ar/ 39 Ar geochronological studies. (author)

71Ga Chemical Shielding and Quadrupole Coupling Tensors of the Garnet Y(3)Ga(5)O(12) from Single-Crystal (71)Ga NMR

DEFF Research Database (Denmark)

Vosegaard, Thomas; Massiot, Dominique; Gautier, Nathalie

1997-01-01

A single-crystal (71)Ga NMR study of the garnet Y(3)Ga(5)O(12) (YGG) has resulted in the determination of the first chemical shielding tensors reported for the (71)Ga quadrupole. The single-crystal spectra are analyzed in terms of the combined effect of quadrupole coupling and chemical shielding ...

Ion mobility analyzer - quadrupole mass spectrometer system design

International Nuclear Information System (INIS)

Cuna, C; Leuca, M; Lupsa, N; Mirel, V; Cuna, Stela; Cosma, V; Tusa, Florina; Bocos-Bintintan, V

2009-01-01

Because of their extremely high sensitivity for chemicals with elevated electronegativity or high proton affinity the ion mobility analysers are ideal for the ultra-trace detection of toxic or explosive chemicals, most of these situated often at concentration levels of sub-ppb (parts-per-billion). Ion mobility spectrometers (IMS) can be used to identify illicit drugs or environmental pollutants. Since resolution of an IMS is relatively low, to achieve an accurate identification of target analyte it is recommended to couple the IMS with a quadrupole mass spectrometer (QMS) or a time of flight mass spectrometer, acquiring in this way confirmatory information. This coupling is made through a specific interface. In this paper, an experimental model of such a tandem instrument, IMS-QMS is described. Accomplishment of this general purpose will be done, overcoming a series of specific issues. This implies the solving, using innovative solutions, of a series of complex issues: ensuring the stability of the ions beam generated by ion source; transfer with a good efficiency of the ionic current from IMS analyser to QMS; and realization of a special electronic circuitry which will be able to detect both positive and negative ions.

Ion mobility analyzer - quadrupole mass spectrometer system design

Energy Technology Data Exchange (ETDEWEB)

Cuna, C; Leuca, M; Lupsa, N; Mirel, V; Cuna, Stela; Cosma, V; Tusa, Florina [National Institute for Research and Development of Isotopic and Molecular Technologies, 65-103 Donath, 400293 Cluj-Napoca (Romania); Bocos-Bintintan, V, E-mail: cornel.cuna@itim-cj.r [Babes-Bolyai University, Faculty of Environmental Sciences, 3 Fantanele, 400294 Cluj Napoca (Romania)

2009-08-01

Because of their extremely high sensitivity for chemicals with elevated electronegativity or high proton affinity the ion mobility analysers are ideal for the ultra-trace detection of toxic or explosive chemicals, most of these situated often at concentration levels of sub-ppb (parts-per-billion). Ion mobility spectrometers (IMS) can be used to identify illicit drugs or environmental pollutants. Since resolution of an IMS is relatively low, to achieve an accurate identification of target analyte it is recommended to couple the IMS with a quadrupole mass spectrometer (QMS) or a time of flight mass spectrometer, acquiring in this way confirmatory information. This coupling is made through a specific interface. In this paper, an experimental model of such a tandem instrument, IMS-QMS is described. Accomplishment of this general purpose will be done, overcoming a series of specific issues. This implies the solving, using innovative solutions, of a series of complex issues: ensuring the stability of the ions beam generated by ion source; transfer with a good efficiency of the ionic current from IMS analyser to QMS; and realization of a special electronic circuitry which will be able to detect both positive and negative ions.

Quadrupole mass detector in the field of weak plane gravitational waves

International Nuclear Information System (INIS)

Borisova, L.B.

1978-01-01

Studied is the behaviour of the system which consists of two test particles connected by a string (quadrupole mass detector) and placed in the field of weak plane monochromatic gravitational waves. It is shown that at cross orientation of the detector the gravitational wave effecting such a system excites oscillations in it with the frequency equal to that of the gravitational wave source. The role of the driving force is played by the periodical change with the time of the equilibrium position. The gravitational wave does not influence the detector at its longitudinal orientation

Mass cytometry: technique for real time single cell multitarget immunoassay based on inductively coupled plasma time-of-flight mass spectrometry.

Science.gov (United States)

Bandura, Dmitry R; Baranov, Vladimir I; Ornatsky, Olga I; Antonov, Alexei; Kinach, Robert; Lou, Xudong; Pavlov, Serguei; Vorobiev, Sergey; Dick, John E; Tanner, Scott D

2009-08-15

A novel instrument for real time analysis of individual biological cells or other microparticles is described. The instrument is based on inductively coupled plasma time-of-flight mass spectrometry and comprises a three-aperture plasma-vacuum interface, a dc quadrupole turning optics for decoupling ions from neutral components, an rf quadrupole ion guide discriminating against low-mass dominant plasma ions, a point-to-parallel focusing dc quadrupole doublet, an orthogonal acceleration reflectron analyzer, a discrete dynode fast ion detector, and an 8-bit 1 GHz digitizer. A high spectrum generation frequency of 76.8 kHz provides capability for collecting multiple spectra from each particle-induced transient ion cloud, typically of 200-300 micros duration. It is shown that the transients can be resolved and characterized individually at a peak frequency of 1100 particles per second. Design considerations and optimization data are presented. The figures of merit of the instrument are measured under standard inductively coupled plasma (ICP) operating conditions ( 900 for m/z = 159, the sensitivity with a standard sample introduction system of >1.4 x 10(8) ion counts per second per mg L(-1) of Tb and an abundance sensitivity of (6 x 10(-4))-(1.4 x 10(-3)) (trailing and leading masses, respectively) are shown. The mass range (m/z = 125-215) and abundance sensitivity are sufficient for elemental immunoassay with up to 60 distinct available elemental tags. When 500) can be used, which provides >2.4 x 10(8) cps per mg L(-1) of Tb, at (1.5 x 10(-3))-(5.0 x 10(-3)) abundance sensitivity. The real-time simultaneous detection of multiple isotopes from individual 1.8 microm polystyrene beads labeled with lanthanides is shown. A real time single cell 20 antigen expression assay of model cell lines and leukemia patient samples immuno-labeled with lanthanide-tagged antibodies is presented.

Comprehensive analysis of a multidimensional liquid chromatography mass spectrometry dataset acquired on a quadrupole selecting, quadrupole collision cell, time-of-flight mass spectrometer: I. How much of the data is theoretically interpretable by search engines?

Science.gov (United States)

Chalkley, Robert J; Baker, Peter R; Hansen, Kirk C; Medzihradszky, Katalin F; Allen, Nadia P; Rexach, Michael; Burlingame, Alma L

2005-08-01

An in-depth analysis of a multidimensional chromatography-mass spectrometry dataset acquired on a quadrupole selecting, quadrupole collision cell, time-of-flight (QqTOF) geometry instrument was carried out. A total of 3269 CID spectra were acquired. Through manual verification of database search results and de novo interpretation of spectra 2368 spectra could be confidently determined as predicted tryptic peptides. A detailed analysis of the non-matching spectra was also carried out, highlighting what the non-matching spectra in a database search typically are composed of. The results of this comprehensive dataset study demonstrate that QqTOF instruments produce information-rich data of which a high percentage of the data is readily interpretable.

Ion-storage in radiofrequency electric quadrupole field

International Nuclear Information System (INIS)

Gheorghe, V.

1976-01-01

The confinement of charged particles in a quadrupole radiofrequency electric field are presented. The stability diagrams and phase space trajectories for the quadrupole mass spectrometer and for the ion trap are represented and their main characteristics are discussed. (author)

Expert systems technology applied to instrument operation and data acquisition of a triple quadrupole mass spectrometer (TQMS)

International Nuclear Information System (INIS)

Wong, C.M.

1984-01-01

This presentation covers the work done at Lawrence Livermore National Laboratory by some computer programmers and analytical chemists specializing in mass spectrometry to develop an expert system for real-time tuning and optimization of operations of a triple quadrupole mass spectrometer (TQMS). This capability is important to increase the sensitivity possible for selected compounds throughout the entire mass range of the instrument, rather than settling for the traditional normalized calibration which lowers sensitivity at both ends of the mass scale

Quantification, confirmation and screening capability of UHPLC coupled to triple quadrupole and hybrid quadrupole time-of-flight mass spectrometry in pesticide residue analysis.

Science.gov (United States)

Grimalt, Susana; Sancho, Juan V; Pozo, Oscar J; Hernández, Félix

2010-04-01

The potential of three mass spectrometry (MS) analyzers (triple quadrupole, QqQ; time of flight, TOF; and quadrupole time of flight, QTOF) has been investigated and compared for quantification, confirmation and screening purposes in pesticide residue analysis of fruit and vegetable samples. For this purpose, analytical methodology for multiresidue determination of 11 pesticides, taken as a model, has been developed and validated in nine food matrices for the three mass analyzers coupled to ultra high pressure liquid chromatography. In all cases, limits of quantification around 0.01 mg/kg were reached, fulfilling the most restrictive case of baby-food analysis. Regarding absolute sensitivity, the lower limits of detection were obtained, as expected, for QqQ (100 fg), whereas slightly higher limits (300 fg) were obtained for both TOF and QTOF. Confirmative capacity of each analyzer was studied for each analyte based on the identification points (IPs) criterion, useful for a comprehensive comparison. QTOF mass analyzer showed the highest confirmatory capacity, although QqQ normally led to sufficient number of IPs, even at lower concentration levels. The potential of TOF MS was also investigated for screening purposes. To this aim, around 50 commercial fruits and vegetables samples were analyzed, searching for more than 400 pesticides. TOF MS proved to be an attractive analytical tool for rapid detection and reliable identification of a large number of pesticides thanks to the full spectrum acquisition at accurate mass with satisfactory sensitivity. This process is readily boosted when combined with specialized software packages, together with theoretical exact mass databases. Several pesticides (e.g. carbendazim in citrus and indoxacarb in grape) were detected in the samples. Further unequivocal confirmation of the identity was performed using reference standards and/or QTOF MS/MS experiments. Copyright 2010 John Wiley & Sons, Ltd.

Quadrupole Ion Traps

Indian Academy of Sciences (India)

to do precision spectroscopic measurements on these ions. ... Bonn, investigated the non-magnetic quadrupole mass filter, .... the details of which will be discussed in the subse- ... the radial plane the ion undergoes a circular motion with the.

A new method of alpha ray measurement using a Quadrupole Mass Spectrometer

International Nuclear Information System (INIS)

Iwata, Y.; Inoue, Y.; Minowa, M.

2007-01-01

We propose a new method of alpha (α)-ray measurement that detects helium atoms with a Quadrupole Mass Spectrometer (QMS). A demonstration is undertaken with a plastic-covered 241 Am α-emitting source to detect α-rays stopped in the capsule. We successfully detect helium atoms that diffuse out of the capsule by accumulating them for 1-20h in a closed chamber. The detected amount is found to be proportional to the accumulation time. Our method is applicable to probe α-emitting radioactivity in bulk material

Charge Dependence and Electric Quadrupole Effects on Single-Nucleon Removal in Relativistic and Intermediate Energy Nuclear Collisions

Science.gov (United States)

Norbury, John W.

1992-01-01

Single nucleon removal in relativistic and intermediate energy nucleus-nucleus collisions is studied using a generalization of Weizsacker-Williams theory that treats each electromagnetic multipole separately. Calculations are presented for electric dipole and quadrupole excitations and incorporate a realistic minimum impact parameter, Coulomb recoil corrections, and the uncertainties in the input photonuclear data. Discrepancies are discussed. The maximum quadrupole effect to be observed in future experiments is estimated and also an analysis of the charge dependence of the electromagnetic cross sections down to energies as low as 100 MeV/nucleon is made.

All systems go for LHC quadrupoles

CERN Multimedia

2003-01-01

The series fabrication of the Main Quadrupole cold masses for the LHC has begun with the delivery of the first unit on February 12th. The superconducting dipole magnets required to bend the proton beams around the LHC are often in the news. Less famous, perhaps, but equally important are the 360 main quadrupole (MQ) magnets, which will perform the principal focusing around the 27 km ring. CERN and CEA-Saclay began collaborating on the development and prototyping of these magnets in 1989. This resulted in five highly successful quadrupole units - also known as short straight sections - one of which was integrated for testing in String 1, and two others of the final design in String 2. Once the tests had confirmed the validity of the design and realization, the fabrication of the 360 cold masses had to be transferred to industry. After highly competitive tendering, the German firm ACCEL Instruments was entrusted both with the construction of the quadrupole magnets themselves, and with their assembly into the co...

Simultaneous determination of iridoid glycosides, phenethylalcohol glycosides and furfural derivatives in Rehmanniae Radix by high performance liquid chromatography coupled with triple-quadrupole mass spectrometry

DEFF Research Database (Denmark)

Xu, Jun; Wu, Jie; Zhu, Ling-Ying

2012-01-01

In this study, a sensitive and selective method for simultaneously quantifying eight major components (four iridoid glycosides, three phenethylalcohol glycosides and one furfural derivative) of Rehmanniae Radix by high performance liquid chromatography coupled with triple-quadrupole mass spectrom......In this study, a sensitive and selective method for simultaneously quantifying eight major components (four iridoid glycosides, three phenethylalcohol glycosides and one furfural derivative) of Rehmanniae Radix by high performance liquid chromatography coupled with triple-quadrupole mass...

Simultaneous analysis by Quadrupole-Orbitrap mass spectrometry and UHPLC-MS/MS for the determination of sedative-hypnotics and sleep inducers in adulterated products.

Science.gov (United States)

Lee, Ji Hyun; Park, Han Na; Choi, Ji Yeon; Kim, Nam Sook; Park, Hyung-Joon; Park, Seong Soo; Baek, Sun Young

2017-12-01

Adulterated products are continuously detected in society and cause problems. In this study, we developed and validated a method for determining synthetic sedative-hypnotics and sleep inducers, including barbital, benzodiazepam, zolpidem, and first-generation antihistamines, in adulterated products using Quadrupole-Orbitrap mass spectrometry and ultrahigh performance liquid chromatography with tandem mass spectrometry. In Quadrupole-Orbitrap mass spectrometry analysis, target compounds were confirmed using a combination of retention time, mass tolerance, mass accuracy, and fragment ions. For quantification, several validation parameters were employed using ultrahigh performance liquid chromatography with tandem mass spectrometry. The limit of detection and limit of quantitation was 0.05-53 and 0.17-177 ng/mL, respectively. The correlation coefficient for linearity was more than 0.995. The intra- and interassay accuracies were 86-110 and 84-111%, respectively. Their precision values were evaluated as within 4.0 (intraday) and 10.7% (interday). Mean recoveries of target compounds in adulterated products ranged from 85 to 116%. The relative standard deviation of stability was less than 10.7% at 4°C for 48 h. The 144 adulterated products obtained over 3 years (2014-2016) from online and in-person vendors were tested using established methods. After rapidly screening with Quadrupole-Orbitrap mass spectrometry, the detected samples were quantified using ultrahigh performance liquid chromatography with tandem mass spectrometry. Two of them were adulterated with phenobarbital. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

High-temperature quadrupole mass spectrometer for studying vaporization from materials heated by a CO2 laser

International Nuclear Information System (INIS)

Fredin, L.; Hansen, G.P.; Sampson, M.P.; Margrave, J.L.; Behrens, R.G.

1986-09-01

To evaluate the effectiveness of mass spectrometry techniques in studying vaporization from selected materials, we designed a mass spectrometer than can be used either with a continuous wave or pulsed laser heating system or with a conventional furnace heating system. Our experimental apparatus, the components of which are described in detail, consisted of a quadrupole mass spectrometer positioned in a crossed-beam configuration, controlling electronics, a data acquisition system, a vacuum system, a cryogenic collimation system, and a laser heating system. Results of mass spectral scans taken during laser pyrolysis of polymeric materials and laser vaporization of graphite were compatible with data reported in other studies. Results of mass spectral studies of laser-induced combustion in the Ti + C system are also presented

Analytical calculation of spin tunneling effect in single molecule magnet Fe8 with considering quadrupole excitation

Directory of Open Access Journals (Sweden)

Y Yousefi

2018-02-01

Full Text Available Spin tunneling effect in Single Molecule Magnet Fe8 is studied by instanton calculation technique using SU(3 generalized spin coherent state in real parameter as a trial function. For this SMM, tunnel splitting arises due to the presence of a Berry like phase in action, which causes interference between tunneling trajectories (instantons. For this SMM, it is established that the use of quadrupole excitation (g dependence changes not only the location of the quenching points, but also the number of these points. Also, these quenching points are the steps in hysteresis loops of this SMM. If dipole and quadrupole excitations in classical energy considered, the number of these steps equals to the number that obtained from experimental data.

Progress in the development of superconducting quadrupoles for heavy ion fusion

International Nuclear Information System (INIS)

Faltens, A.; Lietzke, A.; Sabbi, G.; Seidl, P.; Lund, S.; Manahan, B.; Martovetsky, N.; Gung, C.; Minervini, J.; Schultz, J.; Myatt, L.; Meinke, R.

2002-01-01

The Heavy Ion Fusion program is developing single aperture superconducting quadrupoles based on NbTi conductor, for use in the High Current Experiment at Lawrence Berkeley National Laboratory. Following the fabrication and testing of prototypes using two different approaches, a baseline design has been selected and further optimized. A prototype cryostat for a quadrupole doublet, with features to accommodate induction acceleration modules, is being fabricated. The single aperture magnet was derived from a conceptual design of a quadrupole array magnet for multi-beam transport. Progress on the development of superconducting quadrupole arrays for future experiments is also reported

Progress in the development of superconducting quadrupoles for heavy ion fusion

Energy Technology Data Exchange (ETDEWEB)

Faltens, A.; Lietzke, A.; Sabbi, G.; Seidl, P.; Lund, S.; Manahan, B.; Martovetsky, N.; Gung, C.; Minervini, J.; Schultz, J.; Myatt, L.; Meinke, R.

2002-05-24

The Heavy Ion Fusion program is developing single aperture superconducting quadrupoles based on NbTi conductor, for use in the High Current Experiment at Lawrence Berkeley National Laboratory. Following the fabrication and testing of prototypes using two different approaches, a baseline design has been selected and further optimized. A prototype cryostat for a quadrupole doublet, with features to accommodate induction acceleration modules, is being fabricated. The single aperture magnet was derived from a conceptual design of a quadrupole array magnet for multi-beam transport. Progress on the development of superconducting quadrupole arrays for future experiments is also reported.

Progress in the Development of Superconducting Quadrupoles forHeavy-ion Fusion

Energy Technology Data Exchange (ETDEWEB)

Faltens, A.; Lietzke, A.; Sabbi, G.; Seidl, P.; Lund, S.; Manahan, R.; Martovetsky, N.; Gung, C.; Minervini, J.; Schultz, J.; Myatt, L.; Meinke, R.

2002-08-19

The Heavy Ion Fusion program is developing single aperture superconducting quadrupoles based on NbTi conductor, for use in the High Current Experiment at Lawrence Berkeley National Laboratory. Following the fabrication and testing of prototypes using two different approaches, a baseline design has been selected and further optimized. A prototype cryostat for a quadrupole doublet, with features to accommodate induction acceleration modules, is being fabricated. The single aperture magnet was derived from a conceptual design of a quadrupole array magnet for multi-beam transport. Progress on the development of superconducting quadrupole arrays for future experiments is also reported.

Field quality of the LHC inner triplet quadrupoles being fabricated at Fermilab

Energy Technology Data Exchange (ETDEWEB)

Gueorgui V. Velev et al.

2003-06-02

Fermilab, as part of the US-LHC Accelerator Project, has designed and is producing superconducting low-beta quadrupole magnets for the Large Hadron Collider (LHC). These 70 mm bore, 5.5 m long magnets operate in superfluid helium at 1.9 K with a maximum operating gradient of 214 T/m. Two quadrupoles, combined with a dipole orbit corrector, form a single LQXB cryogenic assembly, the Q2 optical element of the final focus triplets in the LHC interaction regions. Field quality was measured at room temperature during fabrication of the cold masses as well as at superfluid helium temperature in two thermal cycles for the first LQXB cryogenic assembly. Integral cold measurements were made with a 7.1 m long rotating coil and with a 0.8 m long rotating coil at 8 axial positions and in a range of currents. In addition to the magnetic measurements, this paper reports on the quench performance of the cold masses and on the measurements of their internal alignment.

Analysis of phosphatidylcholine oxidation products in human plasma using quadrupole time-of flight mass spectrometry

OpenAIRE

Adachi, Junko; Asano, Migiwa; Yoshioka, Naoki; Nushida, Hideyuki; Ueno, Yasuhiro

2006-01-01

We report here an application of the previous method for the analysis ofphosphatidylcholine (PC) and lysophosphatidylcholine (lysoPC) oxidation products inhuman plasma using quadrupole time of flight (Q-TOF) mass spectrometry withelectrospray ionization. We separated these products using an HPLC C8 column witha gradient of methanol and 10 mM aqueous ammonium acetate. Monohydroperoxides,epoxyhydroxy derivatives, oxo derivatives, and trihydroxides of palmitoyl-linoleoyl(C16:0/C18:2) PC and stea...

Complete Analysis of a Biologically Active Tetrapeptide: A Project Utilizing Thin-Layer Chromatography and Tandem Quadrupole Mass Spectrometry

Science.gov (United States)

Lefevre, Joseph W.; Dodsworth, David W.

2000-04-01

The biologically active tetrapeptide d-Ala-Gly-l-Phe-d-Leu ([des-Tyr1-d-Ala2-d-Leu5]enkephalin) was analyzed for its amino acid content and stereochemistry by normal and reversed-phase thin-layer chromatography (TLC), and its sequence was determined by tandem quadrupole mass spectrometry. The project involved sequential N-dansylation of a portion of the tetrapeptide, hydrolysis, isolation, and identification of the N-terminal amino acid as dansyl-alanine by comparison with standards using normal-phase TLC. A second portion of the tetrapeptide was hydrolyzed and the resulting four free amino acids were converted to their corresponding dansyl derivatives and purified by preparative normal-phase TLC. The three dansyl amino acids not identified previously were identified by TLC. The stereochemistry of each was determined by comparison with dansyl-dl-amino acid standards using reversed-phase TLC in the presence of ß-cyclodextrin, a chiral mobile phase additive. Finally, the correct amino acid sequence was determined by tandem quadrupole mass spectrometry. This project gives students valuable experience in microscale synthesis, both normal and reversed-phase TLC, stereochemical analysis, and mass spectrometry.

Gas chromatographic quadrupole time-of-flight full scan high resolution mass spectrometric screening of human urine in antidoping analysis

NARCIS (Netherlands)

Abushareeda, Wadha; Lyris, Emmanouil; Kraiem, Suhail; Wahaibi, Aisha Al; Alyazidi, Sameera; Dbes, Najib; Lommen, Arjen; Nielen, Michel; Horvatovich, Peter L.; Alsayrafi, Mohammed; Georgakopoulos, Costas

2017-01-01

This paper presents the development and validation of a high-resolution full scan (FS) electron impact ionization (EI) gas chromatography coupled to quadrupole Time-of-Flight mass spectrometry (GC/QTOF) platform for screening anabolic androgenic steroids (AAS) in human urine samples. The World

Quadrupole to BPM offset determination in Indus-2

International Nuclear Information System (INIS)

Jena, Saroj; Ghodke, A.D.; Singh, G.

2009-01-01

A feasibility of finding the quadrupole to BPM offset using beam based alignment (BBA) technique in Indus-2 has been studied. The measurements of the offsets between BPM and quadrupoles could be performed by using quadratic fitting for the minima of the orbit response w. r. t. changes in the quadrupole strengths. These offsets will be integrated to the orbit data during closed orbit correction. There are 72 quadrupoles and 56 BPMs in Indus-2. However the assessment of Quad-BPM offsets is not feasible in some cases due to non-availability of BPM adjacent to quadrupole and also in some cases because of a large phase advance between quadrupole and nearby BPM. Here single corrector method is used to obtain these offsets and assumed the current of each quadrupole can be varied independently. A graphical user interface (GUI) is developed in MATLAB for the use of BBA in Indus-2. (author)

Gas chromatographic quadrupole time-of-flight full scan high resolution mass spectrometric screening of human urine in antidoping analysis

NARCIS (Netherlands)

Abushareeda, Wadha; Lyris, Emmanouil; Kraiem, Suhail; Wahaibi, Aisha Al; Alyazidi, Sameera; Dbes, Najib; Lommen, Arjen; Nielen, Michel; Horvatovich, Peter L.; Alsayrafi, Mohammed; Georgakopoulos, Costas

2017-01-01

This paper presents the development and validation of a high-resolution full scan (FS) electron impact ionization (EI) gas chromatography coupled to quadrupole Time-of-Flight mass spectrometry (GC/QTOF) platform for screening anabolic androgenic steroids (AAS) in human urine samples. The World

An improved pseudotargeted metabolomics approach using multiple ion monitoring with time-staggered ion lists based on ultra-high performance liquid chromatography/quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Wang, Yang; Liu, Fang; Li, Peng; He, Chengwei; Wang, Ruibing; Su, Huanxing; Wan, Jian-Bo

2016-07-13

Pseudotargeted metabolomics is a novel strategy integrating the advantages of both untargeted and targeted methods. The conventional pseudotargeted metabolomics required two MS instruments, i.e., ultra-high performance liquid chromatography/quadrupole-time- of-flight mass spectrometry (UHPLC/Q-TOF MS) and UHPLC/triple quadrupole mass spectrometry (UHPLC/QQQ-MS), which makes method transformation inevitable. Furthermore, the picking of ion pairs from thousands of candidates and the swapping of the data between two instruments are the most labor-intensive steps, which greatly limit its application in metabolomic analysis. In the present study, we proposed an improved pseudotargeted metabolomics method that could be achieved on an UHPLC/Q-TOF/MS instrument operated in the multiple ion monitoring (MIM) mode with time-staggered ion lists (tsMIM). Full scan-based untargeted analysis was applied to extract the target ions. After peak alignment and ion fusion, a stepwise ion picking procedure was used to generate the ion lists for subsequent single MIM and tsMIM. The UHPLC/Q-TOF tsMIM MS-based pseudotargeted approach exhibited better repeatability and a wider linear range than the UHPLC/Q-TOF MS-based untargeted metabolomics method. Compared to the single MIM mode, the tsMIM significantly increased the coverage of the metabolites detected. The newly developed method was successfully applied to discover plasma biomarkers for alcohol-induced liver injury in mice, which indicated its practicability and great potential in future metabolomics studies. Copyright © 2016 Elsevier B.V. All rights reserved.

Gibbs free energy of formation of lanthanum rhodate by quadrupole mass spectrometer

International Nuclear Information System (INIS)

Prasad, R.; Banerjee, Aparna; Venugopal, V.

2003-01-01

The ternary oxide in the system La-Rh-O is of considerable importance because of its application in catalysis. Phase equilibria in the pseudo-binary system La 2 O 3 -Rh 2 O 3 has been investigated by Shevyakov et. al. Gibbs free energy of LaRhO 3 (s) was determined by Jacob et. al. using a solid state Galvanic cell in the temperature range 890 to 1310 K. No other thermodynamic data were available in the literature. Hence it was decided to determine Gibbs free energy of formation of LaRhO 3 (s) by an independent technique, viz. quadrupole mass spectrometer (QMS) coupled with a Knudsen effusion cell and the results are presented

Global study of quadrupole correlation effects

International Nuclear Information System (INIS)

Bender, M.; Bertsch, G.F.; Heenen, P.-H.

2006-01-01

We discuss the systematics of ground-state quadrupole correlations of binding energies and mean-square charge radii for all even-even nuclei, from 16 O up to the superheavies, for which data are available. To that aim we calculate their correlated J=0 ground state by means of the angular-momentum and particle-number projected generator coordinate method, using the axial mass quadrupole moment as the generator coordinate and self-consistent mean-field states restricted only by axial, parity, and time-reversal symmetries. The calculation is performed within the framework of a nonrelativistic self-consistent mean-field model by use of the same Skyrme interaction SLy4 and to a density-dependent pairing force to generate the mean-field configurations and to mix them. These are the main conclusions of our study: (i) The quadrupole correlation energy varies between a few 100 keV and about 5.5 MeV. It is affected by shell closures, but varies only slightly with mass and asymmetry. (ii) Projection on angular momentum J=0 provides the major part of the energy gain of up to about 4 MeV; all nuclei in the study, including doubly magic ones, gain energy by deformation. (iii) The mixing of projected states with different intrinsic axial deformations adds a few 100 keV up to 1.5 MeV to the correlation energy. (iv) Typically nuclei below mass A≤60 have a larger correlation energy than static deformation energy whereas the heavier deformed nuclei have larger static deformation energy than correlation energy. (v) Inclusion of the quadrupole correlation energy improves the description of mass systematics, particularly around shell closures, and of differential quantities, namely two-nucleon separation energies and two-nucleon gaps. The correlation energy provides an explanation of 'mutually enhanced magicity'. (vi) The correlation energy tends to decrease the shell effect on binding energies around magic numbers, but the magnitude of the suppression is not large enough to explain

Matrix-assisted laser desorption/ionization coupled with quadrupole/orthogonal acceleration time-of-flight mass spectrometry for protein discovery, identification, and structural analysis.

Science.gov (United States)

Baldwin, M A; Medzihradszky, K F; Lock, C M; Fisher, B; Settineri, T A; Burlingame, A L

2001-04-15

The design and operation of a novel UV-MALDI ionization source on a commercial QqoaTOF mass spectrometer (Applied Biosystem/MDS Sciex QSTAR Pulsar) is described. Samples are loaded on a 96-well target plate, the movement of which is under software control and can be readily automated. Unlike conventional high-energy MALDI-TOF, the ions are produced with low energies (5-10 eV) in a region of relatively low vacuum (8 mTorr). Thus, they are cooled by extensive low-energy collisions before selection in the quadrupole mass analyzer (Q1), potentially giving a quasi-continuous ion beam ideally suited to the oaTOF used for mass analysis of the fragment ions, although ion yields from individual laser shots may vary widely. Ion dissociation is induced by collisions with argon in an rf-only quadrupole cell, giving typical low-energy CID spectra for protonated peptide ions. Ions separated in the oaTOF are registered by a four-anode detector and time-to-digital converter and accumulated in "bins" that are 625 ps wide. Peak shapes depend upon the number of ion counts in adjacent bins. As expected, the accuracy of mass measurement is shown to be dependent upon the number of ions recorded for a particular peak. With internal calibration, mass accuracy better than 10 ppm is attainable for peaks that contain sufficient ions to give well-defined Gaussian profiles. By virtue of its high resolution, capability for accurate mass measurements, and sensitivity in the low-femotomole range, this instrument is ideally suited to protein identification for proteomic applications by generation of peptide tags, manual sequence interpretation, identification of modifications such as phosphorylation, and protein structural elucidation. Unlike the multiply charged ions typical of electrospray ionization, the singly charged MALDI-generated peptide ions show a linear dependence of optimal collision energy upon molecular mass, which is advantageous for automated operation. It is shown that the novel

Application of artificial intelligence to triple quadrupole mass spectrometry (TQMS)

International Nuclear Information System (INIS)

Wong, C.M.; Crawford, R.W.; Kehler, T.P.; Kunz, J.C.

1984-01-01

At Lawrence Livermore National Laboratory the authors have designed a totally computerized triple quadrupole mass spectrometer with the ultimate goal of using it as a prototype for ''knowledge-based'' instrument control. As an ''intelligent'' instrument, with its computer-based data acquisition and control system, it has the ability to learn and respond quickly. The intelligence is encoded in the system using the representation and rule-based reasoning heuristic techniques of Artificial Intelligence. These techniques are used to encode heuristic knowledge, or the intuition, formal and informal rules, and experiential knowledge that the human expert normally uses to make decisions and arrive at solutions in a specific domain problem. In this specific case, the knowledge the authors are encoding is a tuning procedure for the spectrometer, including heuristics to describe a self-adaptive, feedback control process for real-time optimization or tuning of the data acquisition procedure throughout the entire data collection process

Ion-neutral transport through quadrupole interfaces of mass-spectrometer systems

International Nuclear Information System (INIS)

Jugroot, M.; Groth, C.P.T.; Thomson, B.A.; Baranov, V.; Collings, B.A.; French, J.B.

2004-01-01

The transport of free ions through highly under-expanded jet flows of neutral gases and in the presence of applied electric fields is investigated by continuum-based numerical simulations. In particular, numerical results are described which are relevant to ion flows occurring in quadrupole interfaces of mass spectrometer systems. A five-moment mathematical model and parallel multi-block numerical solution procedure is developed for predicting the ion transport. The model incorporates the effects of ion-neutral collision processes and is used in conjunction with a Navier-Stokes model and flow solver for the neutral gas to examine the key influences controlling the ion motion. The effects of the neutral gas flow, electric fields (both dc and rf), and flow field geometry on ion mobility are carefully assessed. The capability of controlling the charged particle motions through a combination of directed neutral flow and applied electric field is demonstrated for these high-speed, hypersonic, jet flows. (author)

Quadrupole moments as measures of electron correlation in two-electron atoms

International Nuclear Information System (INIS)

Ceraulo, S.C.; Berry, R.S.

1991-01-01

We have calculated quadrupole moments, Q zz , of helium in several of its doubly excited states and in two of its singly excited Rydberg states, and of the alkaline-earth atoms Be, Mg, Ca, Sr, and Ba in their ground and low-lying excited states. The calculations use well-converged, frozen-core configuration-interaction (CI) wave functions and, for interpretive purposes, Hartree-Fock (HF) atomic wave functions and single-term, optimized, molecular rotor-vibrator (RV) wave functions. The quadrupole moments calculated using RV wave functions serve as a test of the validity of the correlated, moleculelike model, which has been used to describe the effects of electron correlation in these two-electron and pseudo-two-electron atoms. Likewise, the quadrupole moments calculated with HF wave functions test the validity of the independent-particle model. In addition to their predictive use and their application to testing simple models, the quadrupole moments calculated with CI wave functions reveal previously unavailable information about the electronic structure of these atoms. Experimental methods by which these quadrupole moments might be measured are also discussed. The quadrupole moments computed from CI wave functions are presented as predictions; measurements of Q zz have been made for only two singly excited Rydberg states of He, and a value of Q zz has been computed previously for only one of the states reported here. We present these results in the hope of stimulating others to measure some of these quadrupole moments

Effect of ion entry acceptance conditions on the performance of a quadrupole mass spectrometer operated in upper and lower stability regions

International Nuclear Information System (INIS)

Turner, P.; Taylor, S.; Gibson, J.R.

2005-01-01

Computer simulation of ion motion in a quadrupole mass spectrometer has been used to examine the effect of initial ion conditions on performance when operated in the first and third zones of the Mathieu stability diagram. Commercial instruments frequently use round electrodes instead of the better-performing hyperbolic electrodes because the cost of manufacturing is lower. However, adverse features are seen when using round electrodes. Here further insight is provided and a possible method of correction is suggested. For the first time, ion origin for the first stability region for a round electrode quadrupole has been reported

Use of microextraction by packed sorbent directly coupled to an electron ionization single quadrupole mass spectrometer as an alternative for non-separative determinations.

Science.gov (United States)

Casas Ferreira, Ana María; Moreno Cordero, Bernardo; Pérez Pavón, José Luis

2017-02-01

Sometimes it is not necessary to separate the individual compounds of a sample to resolve an analytical problem, it is enough to obtain a signal profile of the sample formed by all the components integrating it. Within this strategy, electronic noses based on the direct coupling of a headspace sampler with a mass spectrometer (HS-MS) have been proposed. Nevertheless, this coupling is not suitable for the analysis of non-volatile compounds. In order to propose an alternative to HS-MS determinations for non-volatile compounds, here we present the first 'proof of concept' use of the direct coupling of microextraction by packed sorbents (MEPS) to a mass spectrometer device using an electron ionization (EI) and a single quadrupole as ionization source and analyzer, respectively. As target compounds, a set of analytes with different physic-chemical properties were evaluated (2-ethyl-1-hexanol, styrene, 2-heptanone, among others). The use of MEPS extraction present many advantages, such as it is fast, simple, easy to automate and requires small volumes of sample and organic solvents. Moreover, MEPS cartridges are re-usable as samples can be extracted more than 100 times using the same syringe. In order to introduce into the system all the elution volume from the MEPS extraction, a programmable temperature vaporizer (PTV) is proposed as the injector device. Results obtained with the proposed methodology (MEPS-PTV/MS) were compared with the ones obtained based on the separative scheme, i.e. using gas chromatography separation (MEPS-PTV-GC/MS), and both methods provided similar results. Limits of detection were found to be between 3.26 and 146.6μgL -1 in the non-separative scheme and between 0.02 and 1.72μgL -1 when the separative methodology was used. Repeatability and reproducibility were evaluated with values below 17% in all cases. Copyright © 2016 Elsevier B.V. All rights reserved.

Differential fragmentation patterns of pectin oligogalacturonides observed by nanoelectrospray quadrupole ion-trap mass spectrometry using automated spectra interpretation

DEFF Research Database (Denmark)

Mutenda, Kudzai E; Matthiesen, Rune; Roepstorff, Peter

2007-01-01

Oligogalacturonides of different degrees of polymerization (DP) and methyl esterification (DE) were structurally analyzed by nanoESI quadrupole ion-trap mass spectrometry. The fragmentation patterns of the oligogalacturonides were compared using the program 'Virtual Expert Mass Spectrometrist...... with free carboxylic acid groups underwent higher water loss compared to fully methyl-esterified oligogalacturonides under the same fragmentation conditions. Cross-ring cleavage, in which fragmentation occurs across the ring system of the galacturonate residue and signified by unique mass losses...... water loss than methyl-esterified ones will be postulated. In addition, the VEMS program was extended to automatically interpret and assign the fragment ions peaks generated in this study....

Quantification of 2'-deoxy-2'-β-fluoro-4'-azidocytidine in rat and dog plasma using liquid chromatography-quadrupole time-of-flight and liquid chromatography-triple quadrupole mass spectrometry: Application to bioavailability and pharmacokinetic studies.

Science.gov (United States)

Peng, Youmei; Cheng, Tiefeng; Dong, Lihong; Zhang, Yuhai; Chen, Xiaojing; Jiang, Jinhua; Zhang, Jingmin; Guo, Xiaohe; Guo, Mintong; Chang, Junbiao; Wang, Qingduan

2014-09-01

2'-Deoxy-2'-β-fluoro-4'-azidocytidine (FNC) is a novel pyrimidine analog that inhibits not only the replication of the hepatitis B virus (HBV), hepatitis C virus (HCV) and HIV but also the replication of lamivudine-resistant HBV, 4'-azidocytidine or 2'-β-methylcytidine-resistant HCV, and nucleoside reverse-transcriptase inhibitor-resistant HIV variants. The present study was undertaken to evaluate the absolute oral bioavailability of FNC in rats and the pharmacokinetic properties of FNC after intragastric administration of single and multiple doses in rats and dogs. A sensitive high-performance liquid chromatography tandem quadrupole time-of-flight mass spectrometry (HPLC/Q-TOF MS) method and a reliable high-performance liquid chromatography tandem triple quadrupole mass spectrometry (HPLC/QqQ MS/MS) method were established for the determination of FNC in the rat and dog plasmas, respectively. The sample preparation involved a protein-precipitation method with methanol after the addition of lamivudine as an internal standard. FNC was analyzed by LC using a YMC-Pack Pro C18 column (150mm×4.6mm, 3μm) with methanol (containing 0.3% formic acid): 10mM ammonium acetate (containing 0.3% formic acid, pH 2.8) (35:65, v/v) as the mobile phase. Both mass spectrometers were equipped with an electrospray ionization interface in the positive-ion mode. The linear range was from 2.00 to 2000.00ngmL(-1) in rat plasma and 0.50 to 400.00ngmL(-1) in dog plasma. The intraday and interday precision were less than 10.55%, and the accuracy was in the range of -5.86 to 5.13%. The mean recoveries were greater than 82.70% and 82.97% for FNC and IS, respectively. The HPLC/Q-TOF MS and HPLC/QqQ MS/MS methods were both successfully applied in the pharmacokinetic studies of FNC in rats and dogs. Copyright © 2014 Elsevier B.V. All rights reserved.

Isotopic dependence of the giant quadrupole resonance in the stable even-mass molybdenum nuclei

International Nuclear Information System (INIS)

Moalem, A.; Gaillard, Y.; Bemolle, A.M.; Buenerd, M.; Chauvin, J.; Duhamel, G.; Lebrun, D.; Martin, P.; Perrin, G.; de Saintignon, P.

1979-01-01

Inelastic scattering of 110 MeV 3 He particles is used to probe the quadrupole strength in the even Mo isotopes. The peak position of the giant quadrupole resonance is found to decrease more rapidly than predicted by the A/sup -1/3/ law, a behavior very similar to that exhibited by the photonuclear giant dipole resonance. The width and strength of the giant quadrupole resonance are practically constant in 92 Mo through 100 Mo

Feasibility of coupling a thermal/optical carbon analyzer to a quadrupole mass spectrometer for enhanced PM2.5 speciation.

Science.gov (United States)

Riggio, Gustavo M; Chow, Judith C; Cropper, Paul M; Wang, Xiaoliang; Yatavelli, Reddy L N; Yang, Xufei; Watson, John G

2018-05-01

A thermal/optical carbon analyzer (TOA), normally used for quantification of organic carbon (OC) and elemental carbon (EC) in PM 2.5 (fine particulate matter) speciation networks, was adapted to direct thermally evolved gases to an electron impact quadrupole mass spectrometer (QMS), creating a TOA-QMS. This approach produces spectra similar to those obtained by the Aerodyne aerosol mass spectrometer (AMS), but the ratios of the mass to charge (m/z) signals differ and must be remeasured using laboratory-generated standards. Linear relationships are found between TOA-QMS signals and ammonium (NH 4 + ), nitrate (NO 3 - ), and sulfate (SO 4 2- ) standards. For ambient samples, however, positive deviations are found for SO 4 2- , compensated by negative deviations for NO 3 - , at higher concentrations. This indicates the utility of mixed-compound standards for calibration or separate calibration curves for low and high ion concentrations. The sum of the QMS signals across all m/z after removal of the NH 4 + , NO 3 - , and SO 4 2- signals was highly correlated with the carbon content of oxalic acid (C₂H₂O₄) standards. For ambient samples, the OC derived from the TOA-QMS method was the same as the OC derived from the standard IMPROVE_A TOA method. This method has the potential to reduce complexity and costs for speciation networks, especially for highly polluted urban areas such as those in Asia and Africa. Ammonium, nitrate, and sulfate can be quantified by the same thermal evolution analysis applied to organic and elemental carbon. This holds the potential to replace multiple parallel filter samples and separate laboratory analyses with a single filter and a single analysis to account for a large portion of the PM 2.5 mass concentration.

Fe/sup 57/ polarimetry based on quadrupole interaction

Energy Technology Data Exchange (ETDEWEB)

Gonser, U; Sakai, H; Keune, W [Universitaet des Saarlandes, Saarbruecken (F.R. Germany). Fachbereich Angewandte Physik

1976-01-01

A quadrupole Fe/sup 57/ polarimeter consisting of single crystals of LiNbO/sub 3/:Co/sup 57/ as source (polarizer) and of FeCO/sub 3/ (siderite) as absorber (analyzer) is described. The quadrupole interactions of the two materials are nearly equal in magnitude but opposite in sign and in addition the asymmetry parameter eta equal approximately 0.

Development of Superconducting Focusing Quadrupoles for Heavy Ion Drivers

Energy Technology Data Exchange (ETDEWEB)

Martovetsky, N; Manahan, R; Lietzke, A F

2001-09-10

Heavy Ion Fusion (HIF) is exploring a promising path to a practical inertial-confinement fusion reactor. The associated heavy ion driver will require a large number of focusing quadrupole magnets. A concept for a superconducting quadrupole array, using many simple racetrack coils, was developed at LLNL. Two, single-bore quadrupole prototypes of the same design, with distinctly different conductor, were designed, built, and tested. Both prototypes reached their short sample currents with little or no training. Magnet design, and test results, are presented and discussed.

Random errors in the magnetic field coefficients of superconducting quadrupole magnets

International Nuclear Information System (INIS)

Herrera, J.; Hogue, R.; Prodell, A.; Thompson, P.; Wanderer, P.; Willen, E.

1987-01-01

The random multipole errors of superconducting quadrupoles are studied. For analyzing the multipoles which arise due to random variations in the size and locations of the current blocks, a model is outlined which gives the fractional field coefficients from the current distributions. With this approach, based on the symmetries of the quadrupole magnet, estimates are obtained of the random multipole errors for the arc quadrupoles envisioned for the Relativistic Heavy Ion Collider and for a single-layer quadrupole proposed for the Superconducting Super Collider

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

Science.gov (United States)

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.

Field measurement of a Fermilab-built full scale prototype quadrupole magnet for the LHC interaction regions

CERN Document Server

Bossert, R; Di Marco, J; Fehér, S; Glass, H; Kerby, J S; Lamm, M J; Nobrega, A; Nicol, T H; Ogitsu, T; Orris, D; Page, T; Rabehl, Roger Jon; Sabbi, G L; Schlabach, P; Strait, J B; Sylvester, C D; Tartaglia, M; Tompkins, J C; Velev, G V; Zlobin, A V

2002-01-01

Superconducting low-beta quadrupole magnets for the interaction regions of the Large Hadron Collider have been developed by the US- LHC Accelerator Project. These 70 mm bore 5.5 m long quadrupoles are intended to operate in superfluid helium at 1.9 K with a nominal field gradient of 215 T/m. Following a series of 2 m long models, a full scale cryostated cold mass has been fabricated and cold tested at Fermilab. Magnetic field measurements of the prototype, including determination of the field axis using a single stretched wire, have been performed. These measurements and comparisons with results from the model magnets as well as field quality and alignment requirements are reported in this paper. (8 refs).

Tunable high-gradient permanent magnet quadrupoles

CERN Document Server

Shepherd, B J A; Marks, N; Collomb, N A; Stokes, D G; Modena, M; Struik, M; Bartalesi, A

2014-01-01

A novel type of highly tunable permanent magnet (PM) based quadrupole has been designed by the ZEPTO collaboration. A prototype of the design (ZEPTO-Q1), intended to match the specification for the CLIC Drive Beam Decelerator, was built and magnetically measured at Daresbury Laboratory and CERN. The prototype utilises two pairs of PMs which move in opposite directions along a single vertical axis to produce a quadrupole gradient variable between 15 and 60 T/m. The prototype meets CLIC's challenging specification in terms of the strength and tunability of the magnet.

Long-term changes in the sensitivity of quadrupole mass spectrometers

International Nuclear Information System (INIS)

Blanchard, W.R.; McCarthy, P.J.; Dylla, H.F.; LaMarche, P.H.; Simpkins, J.E.

1986-02-01

We routinely use quadrupole mass spectrometers (QMS) to monitor vacuum conditions, gas purity, and plasma-wall interactions in the Tokamak Fusion Test Reactor (TFTR) at Princeton. Two QMS systems have been operating on TFTR continuously for a two-year period. Both QMS systems are absolutely calibrated at weekly intervals using a six-part standard gas mixture. The calibration procedure is based on the use of transfer standards (ion gauge and capacitance manometer) that are calibrated against a primary standard (spinning rotor gauge) on an external vacuum system. We have identified variations in the efficiency of the QMS ionizer and drifts in the sensitivity of the electron multiplier ion detector to be the major reasons for the observed changes in overall OMS sensitivity. Weekly variations in sensitivity greater than 100% have been observed following system bakeout at 150 0 C and with the use of rhenium filaments which were initially in the QMS ionizer. Operation of the QMS systems with tungsten filaments and at constant temperature has yielded more stable operation with weekly sensitivity changes generally being less than 10%. 7 refs., 7 figs

Collisional damping of giant monopole and quadrupole resonances

International Nuclear Information System (INIS)

Yildirim, S.; Gokalp, A.; Yilmaz, O.; Ayik, S.

2001-01-01

Collisional damping widths of giant monopole and quadrupole excitations for 120 Sn and 208 Pb at zero and finite temperatures are calculated within Thomas-Fermi approximation by employing the microscopic in-medium cross-sections of Li and Machleidt and the phenomenological Skyrme and Gogny forces, and are compared with each other. The results for the collisional widths of giant monopole and quadrupole vibrations at zero temperature as a function of the mass number show that the collisional damping of giant monopole vibrations accounts for about 30 - 40% of the observed widths at zero temperature, while for giant quadrupole vibrations it accounts for only 20 - 30% of the observed widths at zero temperature. (orig.)

Quantitative Determination of Bioactive Constituents in Noni Juice by High-performance Liquid Chromatography with Electrospray Ionization Triple Quadrupole Mass Spectrometry.

Science.gov (United States)

Yan, Yongqiu; Lu, Yu; Jiang, Shiping; Jiang, Yu; Tong, Yingpeng; Zuo, Limin; Yang, Jun; Gong, Feng; Zhang, Ling; Wang, Ping

2018-01-01

Noni juice has been extensively used as folk medicine for the treatment of arthritis, infections, analgesic, colds, cancers, and diabetes by Polynesians for many years. Due to the lack of standard scientific evaluation methods, various kinds of commercial Noni juice with different quality and price were available on the market. To establish a sensitive, reliable, and accurate high-performance liquid chromatography with electrospray ionization triple quadrupole mass spectrometry (HPLC-ESI-MS/MS) method for separation, identification, and simultaneous quantitative analysis of bioactive constituents in Noni juice. The analytes and eight batches of commercially available samples from different origins were separated and analyzed by the HPLC-ESI-MS/MS method on an Agilent ZORBAX SB-C 18 (150 mm × 4.6 mm i.d., 5 μm) column using a gradient elution of acetonitrile-methanol-0.05% glacial acetic acid in water (v/v) at a constant flow rate of 0.5 mL/min. Seven components were identification and all of the assay parameters were within the required limits. Components were within the correlation coefficient values ( R 2 ≥ 0.9993) at the concentration ranges tested. The precision of the assay method was high-performance liquid chromatography with electrospray ionization triple quadrupole mass spectrometryThe presented method was successfully applied to the quality control of eight batches of commercially available samples of Noni juiceThis method is simple, sensitive, reliable, accurate, and efficient method with strong specificity, good precision, and high recovery rate and provides a reliable basis for quality control of Noni juice. Abbreviations used: HPLC-ESI-MS/MS: High-performance liquid chromatography with electrospray ionization triple quadrupole mass spectrometry, LOD: Limit of detection, LOQ: Limit of quantitation, S/N: Signal-to-noise ratio, RSD: Relative standard deviations, DP: Declustering potential, CE: Collision energy, MRM: Multiple reaction monitoring, RT

Use of liquid chromatography hybrid triple-quadrupole mass spectrometry for the detection of emodin metabolites in rat bile and urine.

Science.gov (United States)

Wu, Songyan; Zhang, Yaqing; Zhang, Zunjian; Song, Rui

2017-10-01

Emodin is the representative form of rhubarb, which is widely used in traditional Chinese medicine for the treatment of purgative, anti-inflammatory, antioxidative and antiviral, etc. Previous reports demonstrated that emodin glucuronide was the major metabolite in plasma. Owing to the extensive conjugation reactions of polyphenols, the aim of this study was to identify the metabolites of emodin in rat bile and urine. Neutral loss and precursor ion scan methods of triple-quadrupole mass spectrometer revealed 13 conjugated metabolites in rat bile and 22 metabolites in rat urine, which included four phase I and 18 phase II metabolites. The major metabolites in rat biosamples were emodin glucuronoconjugates. Moreover, rhein monoglucuronide, chrysophanol monoglucuronide and rhein sulfate were proposed for the first time after oral administration of emodin. Overall, liquid chromatography hybrid triple-quadrupole mass spectrometry analysis leads to the discovery of several novel emodin metabolites in rat bile and urine and underscores that conjugated with glucuronic acid is the main metabolic pathway. Copyright © 2017 John Wiley & Sons, Ltd.

The LHC Main Quadrupoles during Series Fabrication

CERN Document Server

Tortschanoff, Theodor; Durante, M; Hagen, P; Klein, U; Krischel, D; Payn, A; Rossi, L; Schellong, B; Schmidt, P; Simon, F; Schirm, K-M; Todesco, E

2006-01-01

By the end of August 2005 about 320 of the 400 main LHC quadrupole magnets have been fabricated and about 220 of them assembled into their cold masses, together with corrector magnets. About 130 of them have been cold tested in their cryostats and most of the quadrupoles exceeded their nominal excitation, i.e. 12,000 A, after no more than two training quenches. During this series fabrication, the quality of the magnets and cold masses was thoroughly monitored by means of warm magnetic field measurements, of strict geometrical checking, and of various electrical verifications. A number of modifications were introduced in order to improve the magnet fabrication, mainly correction of the coil geometry for achieving the specified field quality and measures for avoiding coil insulation problems. Further changes concern the electrical connectivity and insulation of instrumentation, and of the corrector magnets inside the cold masses. The contact resistances for the bus-bar connections to the quench protection diode...

Accurate Mass GC/LC-Quadrupole Time of Flight Mass Spectrometry Analysis of Fatty Acids and Triacylglycerols of Spicy Fruits from the Apiaceae Family

Directory of Open Access Journals (Sweden)

Thao Nguyen

2015-12-01

Full Text Available The triacylglycerol (TAG structure and the regio-stereospecific distribution of fatty acids (FA of seed oils from most of the Apiaceae family are not well documented. The TAG structure ultimately determines the final physical properties of the oils and the position of FAs in the TAG molecule affects the digestion; absorption and metabolism; and physical and technological properties of TAGs. Fixed oils from the fruits of dill (Anethum graveolens, caraway (Carum carvi, cumin (Cuminum cyminum, coriander (Coriandrum sativum, anise (Pimpinella anisum, carrot (Daucus carota, celery (Apium graveolens, fennel (Foeniculum vulgare, and Khella (Ammi visnaga, all from the Apiaceae family, were extracted at room temperature in chloroform/methanol (2:1 v/v using percolators. Crude lipids were fractionated by solid phase extraction to separate neutral triacylglycerols (TAGs from other lipids components. Neutral TAGs were subjected to transesterification process to convert them to their corresponding fatty acids methyl esters (FAMES using 1% boron trifluoride (BF3 in methanol. FAMES were analyzed by gas chromatography-quadrupole time of flight (GC-QTOF mass spectrometry. Triglycerides were analyzed using high performance liquid chromatography-quadrupole time of flight (LC-QTOF mass spectrometry. Petroselinic acid was the major fatty acid in all samples ranging from 57% of the total fatty acids in caraway up to 82% in fennel. All samples contained palmitic (16:0, palmitoleic (C16:1n-9, stearic (C18:0, petroselinic (C18:1n-12, linoleic (C18:2n-6, linolinic (18:3n-3, and arachidic (C20:0 acids. TAG were analyzed using LC-QTOF for accurate mass identification and mass spectrometry/mass spectrometry (MS/MS techniques for regiospesific elucidation of the identified TAGs. Five major TAGs were detected in all samples but with different relative concentrations in all of the tested samples. Several other TAGs were detected as minor components and were present in some

Metabolic profiling of Hoodia, Chamomile, Terminalia Species and evaluation of commercial preparations using Ultra-High Performance Quadrupole Time of Flight-Mass Spectrometry

Science.gov (United States)

Ultra-High Performance-Quadrupole Time of Flight Mass Spectrometr(UHPLC-QToF-MS)profiling has become an impattant tool for identification of marker compounds and generation of metabolic patterns that could be interrogated using chemometric modeling software. Chemometric approaches can be used to ana...

Comparative analysis of main bio-active components in the herb pair Danshen-Honghua and its single herbs by ultra-high performance liquid chromatography coupled to triple quadrupole tandem mass spectrometry.

Science.gov (United States)

Qu, Cheng; Pu, Zong-Jin; Zhou, Gui-Sheng; Wang, Jun; Zhu, Zhen-Hua; Yue, Shi-Jun; Li, Jian-Ping; Shang, Li-Li; Tang, Yu-Ping; Shi, Xu-Qin; Liu, Pei; Guo, Jian-Ming; Sun, Jing; Tang, Zhi-Shu; Zhao, Jing; Zhao, Bu-Chang; Duan, Jin-Ao

2017-09-01

A sensitive, reliable, and powerful ultra-high performance liquid chromatography coupled to triple quadrupole tandem mass spectrometry method was developed for simultaneous quantification of the 15 main bio-active components including phenolic acids and flavonoids within 13 min for the first time. The proposed method was first reported and validated by good linearity (r 2  > 0.9975), limit of detection (1.12-7.01 ng/mL), limit of quantification (3.73-23.37 ng/mL), intra- and inter-day precisions (RSD ≤ 1.92%, RSD ≤ 2.45%), stability (RSD ≤ 5.63%), repeatability (RSD ≤ 4.34%), recovery (96.84-102.12%), and matrix effects (0.92-1.02). The established analytical methodology was successfully applied to comparative analysis of main bio-active components in the herb pair Danshen-Honghua and its single herbs. Compared to the single herb, the content of most flavonoid glycosides was remarkably increased in their herb pair, and main phenolic acids were decreased, conversely. The content changes of the main components in the herb pair supported the synergistic effects on promoting blood circulation and removing blood stasis. The results provide a scientific basis and reference for the quality control of Danshen-Honghua herb pair and the drug interactions based on variation of bio-active components in herb pairs. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Analytical calculation of spin tunneling effect in single molecule magnet Fe8 with considering quadrupole excitation

OpenAIRE

Y Yousefi; H Fakhari; K Muminov; M R Benam

2018-01-01

Spin tunneling effect in Single Molecule Magnet Fe8 is studied by instanton calculation technique using SU(3) generalized spin coherent state in real parameter as a trial function. For this SMM, tunnel splitting arises due to the presence of a Berry like phase in action, which causes interference between tunneling trajectories (instantons). For this SMM, it is established that the use of quadrupole excitation (g dependence) changes not only the location of the quenching points, but also the n...

ISABELLE insertion quadrupoles

International Nuclear Information System (INIS)

Kaugerts, J.; Polk, I.; Sampson, W.; Dahl, P.F.

1979-01-01

Beam focussing and control at the beam intersection regions of ISABELLE is accomplished by a number of superconducting insertion quadrupoles. These magnets differ from the standard ISABELLE quadrupoles in various ways. In particular, the requirements of limited space near the intersections and aperture for beam extraction impose constraints on their configuration. To achieve optimum beam focussing and provide tuning flexibility calls for stronger quadrupole trim windings than those in the standard quadrupoles. The magnetic and mechanical design of the insertion quadrupoles and their associated correction and steering windings to accomplish the above tasks is presented

Characterization of goat colostrum oligosaccharides by nano-liquid chromatography on chip quadrupole time-of-flight mass spectrometry and hydrophilic interaction liquid chromatography-quadrupole mass spectrometry.

Science.gov (United States)

Martín-Ortiz, A; Salcedo, J; Barile, D; Bunyatratchata, A; Moreno, F J; Martin-García, I; Clemente, A; Sanz, M L; Ruiz-Matute, A I

2016-01-08

A detailed qualitative and quantitative characterization of goat colostrum oligosaccharides (GCO) has been carried out for the first time. Defatted and deproteinized colostrum samples, previously treated by size exclusion chromatography (SEC) to remove lactose, were analyzed by nanoflow liquid chromatography-quadrupole-time of flight mass spectrometry (Nano-LC-Chip-Q-TOF MS). Up to 78 oligosaccharides containing hexose, hexosamine, fucose, N-acetylneuraminic acid or N-glycolylneuraminic acid monomeric units were identified in the samples, some of them detected for the first time in goat colostra. As a second step, a hydrophilic interaction liquid chromatography coupled to mass spectrometry (HILIC-MS) methodology was developed for the separation and quantitation of the main GCO, both acidic and neutral carbohydrates. Among other experimental chromatographic conditions, mobile phase additives and column temperature were evaluated in terms of retention time, resolution, peak width and symmetry of target carbohydrates. Narrow peaks (wh: 0.2-0.6min) and good symmetry (As: 0.8-1.4) were obtained for GCO using an acetonitrile:water gradient with 0.1% ammonium hydroxide at 40°C. These conditions were selected to quantify the main oligosaccharides in goat colostrum samples. Values ranging from 140 to 315mgL(-1) for neutral oligosaccharides and from 83 to 251mgL(-1) for acidic oligosaccharides were found. The combination of both techniques resulted to be useful to achieve a comprehensive characterization of GCO. Copyright © 2015 Elsevier B.V. All rights reserved.

Detection of caffeine in tea, instant coffee, green tea beverage, and soft drink by direct analysis in real time (DART) source coupled to single-quadrupole mass spectrometry.

Science.gov (United States)

Wang, Lei; Zhao, Pengyue; Zhang, Fengzu; Bai, Aijuan; Pan, Canping

2013-01-01

Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.

Boson models of quadrupole collective motion

International Nuclear Information System (INIS)

Zelevinskij, V.G.

1985-01-01

The subject of the lecture is the low-lying excitations of even-even (e-e) spherical nuclei. The predominant role of the quadrupole mode, which determines the structure of spectra and transitions, is obvious on the background of shell periodicity and pair correlations. Typical E2-transitions are strengthened Ω ∼ A 2/3 times in comparison with single particle evaluations. Together with the regularity of the whole picture it gives evidence about collectivization of quadrupole motion. The collective states are combined in bands, where the transition probability are especially great; frequencies ω of the strengthened transitions are small in comparison with pair separation energies of 2 E-bar ∼ 2 MeV. Thus, the description of low-lying excitations of spherical nuclei has to be based on three principles: collectivity (Ω >> 1), adiabaticity (τ ≡ ω/2E-bar << 1) and quadrupole symmetry

Quantification of short- and medium-chain chlorinated paraffins in environmental samples by gas chromatography quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Gao, Wei; Wu, Jing; Wang, Yawei; Jiang, Guibin

2016-06-24

Chlorinated paraffins (CPs) are technical products produced and used in bulk for a number of purposes. However, the analysis of CPs is challenging, as they are complex mixtures of compounds and isomers. We herein report the development of an analytical method for the analysis of short-chain CPs (SCCPs) and medium-chain CPs (MCCPs) using quadrupole time-of-flight high-resolution mass spectrometry (GC-NCI-qTOF-HRMS). This method employs gas chromatography with a chemical ionization source working in negative mode. The linear relationship between chlorination and the CP total response factors was applied to quantify the CP content and the congener group distribution patterns. In a single injection, 24 SCCP formula groups and 24 MCCP formula groups were quantified. Extraction of accurate masses using qTOF-HRMS allowed the SCCPs and MCCPs to be distinguished, with interference from other chemicals (e.g., PCBs) being largely avoided. The SCCP and MCCP detection limits were 24-81ng/mL and 27-170ng/mL, respectively. Comparison of the obtained results with analytical results from gas chromatography coupled with electron capture negative ionization low-resolution mass spectrometry (GC-ECNI-LRMS) indicate that the developed technique is a more accurate and convenient method for the analysis of CPs in samples from a range of matrices. Copyright © 2016 Elsevier B.V. All rights reserved.

Performance optimisation of a new-generation orthogonal-acceleration quadrupole-time-of-flight mass spectrometer.

Science.gov (United States)

Bristow, Tony; Constantine, Jill; Harrison, Mark; Cavoit, Fabien

2008-04-01

Orthogonal-acceleration quadrupole time-of-flight (oa-QTOF) mass spectrometers, employed for accurate mass measurement, have been commercially available for well over a decade. A limitation of the early instruments of this type was the narrow ion abundance range over which accurate mass measurements could be made with a high degree of certainty. Recently, a new generation of oa-QTOF mass spectrometers has been developed and these allow accurate mass measurements to be recorded over a much greater range of ion abundances. This development has resulted from new ion detection technology and improved electronic stability or by accurate control of the number of ions reaching the detector. In this report we describe the results from experiments performed to evaluate the mass measurement performance of the Bruker micrOTOF-Q, a member of the new-generation oa-QTOFs. The relationship between mass accuracy and ion abundance has been extensively evaluated and mass measurement accuracy remained stable (+/-1.5 m m/z units) over approximately 3-4 orders of magnitude of ion abundance. The second feature of the Bruker micrOTOF-Q that was evaluated was the SigmaFit function of the software. This isotope pattern-matching algorithm provides an exact numerical comparison of the theoretical and measured isotope patterns as an additional identification tool to accurate mass measurement. The smaller the value, the closer the match between theoretical and measured isotope patterns. This information is then employed to reduce the number of potential elemental formulae produced from the mass measurements. A relationship between the SigmaFit value and ion abundance has been established. The results from the study for both mass accuracy and SigmaFit were employed to define the performance criteria for the micrOTOF-Q. This provided increased confidence in the selection of elemental formulae resulting from accurate mass measurements.

Quadrupole collectivity of angular-momentum projected states of nucleons in the high-j intruder single-particle states

International Nuclear Information System (INIS)

Raman, S.; Kahane, S.; Bhatt, K.H.

1999-01-01

Ever since the pioneering work of Elliott (Elliott J P 1958 London Series A 245 128, 562), quadrupole collectivity in deformed nuclei has been economically described in terms of SU 3 symmetry. Microscopic SU 3 symmetry is not present in the deformed intrinsic states of n nucleons in the abnormal-parity single-particle states j a . However, such (j a ) n states do possess some SU 3 -symmetry-like properties as shown in this work. (author)

An improved pseudotargeted metabolomics approach using multiple ion monitoring with time-staggered ion lists based on ultra-high performance liquid chromatography/quadrupole time-of-flight mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Wang, Yang; Liu, Fang; Li, Peng; He, Chengwei; Wang, Ruibing; Su, Huanxing; Wan, Jian-Bo, E-mail: jbwan@umac.mo

2016-07-13

Pseudotargeted metabolomics is a novel strategy integrating the advantages of both untargeted and targeted methods. The conventional pseudotargeted metabolomics required two MS instruments, i.e., ultra-high performance liquid chromatography/quadrupole-time- of-flight mass spectrometry (UHPLC/Q-TOF MS) and UHPLC/triple quadrupole mass spectrometry (UHPLC/QQQ-MS), which makes method transformation inevitable. Furthermore, the picking of ion pairs from thousands of candidates and the swapping of the data between two instruments are the most labor-intensive steps, which greatly limit its application in metabolomic analysis. In the present study, we proposed an improved pseudotargeted metabolomics method that could be achieved on an UHPLC/Q-TOF/MS instrument operated in the multiple ion monitoring (MIM) mode with time-staggered ion lists (tsMIM). Full scan-based untargeted analysis was applied to extract the target ions. After peak alignment and ion fusion, a stepwise ion picking procedure was used to generate the ion lists for subsequent single MIM and tsMIM. The UHPLC/Q-TOF tsMIM MS-based pseudotargeted approach exhibited better repeatability and a wider linear range than the UHPLC/Q-TOF MS-based untargeted metabolomics method. Compared to the single MIM mode, the tsMIM significantly increased the coverage of the metabolites detected. The newly developed method was successfully applied to discover plasma biomarkers for alcohol-induced liver injury in mice, which indicated its practicability and great potential in future metabolomics studies. - Highlights: • An UHPLC/Q-TOF tsMIM MS-based pseudotargeted metabolomics was proposed. • Compared to full scan, the improved method exhibits better repeatability and a wider linear range. • The proposed method could achieve pseudotargeted analysis on one UHPLC/Q-TOF/MS instrument. • The developed method was successfully used to discover biomarkers for alcohol-induced liver injury.

An improved pseudotargeted metabolomics approach using multiple ion monitoring with time-staggered ion lists based on ultra-high performance liquid chromatography/quadrupole time-of-flight mass spectrometry

International Nuclear Information System (INIS)

Wang, Yang; Liu, Fang; Li, Peng; He, Chengwei; Wang, Ruibing; Su, Huanxing; Wan, Jian-Bo

2016-01-01

Pseudotargeted metabolomics is a novel strategy integrating the advantages of both untargeted and targeted methods. The conventional pseudotargeted metabolomics required two MS instruments, i.e., ultra-high performance liquid chromatography/quadrupole-time- of-flight mass spectrometry (UHPLC/Q-TOF MS) and UHPLC/triple quadrupole mass spectrometry (UHPLC/QQQ-MS), which makes method transformation inevitable. Furthermore, the picking of ion pairs from thousands of candidates and the swapping of the data between two instruments are the most labor-intensive steps, which greatly limit its application in metabolomic analysis. In the present study, we proposed an improved pseudotargeted metabolomics method that could be achieved on an UHPLC/Q-TOF/MS instrument operated in the multiple ion monitoring (MIM) mode with time-staggered ion lists (tsMIM). Full scan-based untargeted analysis was applied to extract the target ions. After peak alignment and ion fusion, a stepwise ion picking procedure was used to generate the ion lists for subsequent single MIM and tsMIM. The UHPLC/Q-TOF tsMIM MS-based pseudotargeted approach exhibited better repeatability and a wider linear range than the UHPLC/Q-TOF MS-based untargeted metabolomics method. Compared to the single MIM mode, the tsMIM significantly increased the coverage of the metabolites detected. The newly developed method was successfully applied to discover plasma biomarkers for alcohol-induced liver injury in mice, which indicated its practicability and great potential in future metabolomics studies. - Highlights: • An UHPLC/Q-TOF tsMIM MS-based pseudotargeted metabolomics was proposed. • Compared to full scan, the improved method exhibits better repeatability and a wider linear range. • The proposed method could achieve pseudotargeted analysis on one UHPLC/Q-TOF/MS instrument. • The developed method was successfully used to discover biomarkers for alcohol-induced liver injury.

Coevaporation of Y, BaF2, and Cu utilizing a quadrupole mass spectrometer as a rate measuring probe

International Nuclear Information System (INIS)

Hudner, J.; Oestling, M.; Ohlsen, H.; Stolt, L.

1991-01-01

An ultrahigh vacuum coevaporator equipped with three sources for preparation of Y--BaF 2 --Cu--O thin films is described. Evaporation rates of Y, BaF 2 , and Cu were controlled using a quadrupole mass spectrometer operating in a multiplexed mode. To evaluate the method depositions have been performed using different source configurations and evaporation rates. Utilizing Rutherford backscattering spectrometry absolute values of the actual evaporation rates were determined. It was observed that the mass-spectrometer sensitivity is highest for Y, followed by BaF 2 (BaF + is the measured ion) and Cu. A partial pressure of oxygen during evaporation of Y, BaF 2 , and Cu affected mainly the rate of Y. It is shown that the mass spectrometer can be utilized to precisely control the film composition

Optimization of the isotopic analysis of UF6 by quadrupole mass spectrometry technique

International Nuclear Information System (INIS)

Porto, Peterson

2006-01-01

In the present work a procedure for determination of the isotopic ratio 238 U/ 235 U in UF 6 samples was established using a quadrupole mass spectrometer with ionization by electron impact and ion detection by Faraday cup or electron multiplier. For this, the following items were optimized in the spectrometer: the parameters in the ion source that provided the most intense peak, with good shape, for the corresponding mass of the most abundant isotope; the resolution that reduced the non linear effects and the number of analytic cycles that reduced the uncertainty in the results. The measurement process was characterized with respect to the effects of mass discrimination, linearity and memory effect. The mass discrimination showed to be linearly dependent of the sample pressure in the batch volume, for the pressure ranges from 0.15 to 0.30 mbar and from 0.30 to 0.40 mbar. The spectrometer was shown linear in the measurement of isotopic ratios between 0.005 and 0.045. The memory factor for the ion source and for the introduction system were, respectively, 1.000 ± 0.001 and 1.003 ± 0.003; the first one can be ignored, the second one can be eliminated by washing the batch volume with the new sample. A methodology for routine analysis of UF 6 samples and the determination of the uncertainties were set up in details as well. (author)

Algebraic formulation of collective models. I. The mass quadrupole collective model

International Nuclear Information System (INIS)

Rosensteel, G.; Rowe, D.J.

1979-01-01

This paper is the first in a series of three which together present a microscopic formulation of the Bohr--Mottelson (BM) collective model of the nucleus. In this article the mass quadrupole collective (MQC) model is defined and shown to be a generalization of the BM model. The MQC model eliminates the small oscillation assumption of BM and also yields the rotational and CM (3) submodels by holonomic constraints on the MQC configuration space. In addition, the MQC model is demonstrated to be an algebraic model, so that the state space of the MQC model carries an irrep of a Lie algebra of microscopic observables, the MQC algebra. An infinite class of new collective models is then given by the various inequivalent irreps of this algebra. A microscopic embedding of the BM model is achieved by decomposing the representation of the MQC algebra on many-particle state space into its irreducible components. In the second paper this decomposition is studied in detail. The third paper presents the symplectic model, which provides the realization of the collective model in the harmonic oscillator shell model

Highly informative multiclass profiling of lipids by ultra-high performance liquid chromatography - Low resolution (quadrupole) mass spectrometry by using electrospray ionization and atmospheric pressure chemical ionization interfaces.

Science.gov (United States)

Beccaria, Marco; Inferrera, Veronica; Rigano, Francesca; Gorynski, Krzysztof; Purcaro, Giorgia; Pawliszyn, Janusz; Dugo, Paola; Mondello, Luigi

2017-08-04

A simple, fast, and versatile method, using an ultra-high performance liquid chromatography system coupled with a low resolution (single quadrupole) mass spectrometer was optimized to perform multiclass lipid profiling of human plasma. Particular attention was made to develop a method suitable for both electrospray ionization and atmospheric pressure chemical ionization interfaces (sequentially in positive- and negative-ion mode), without any modification of the chromatographic conditions (mobile phase, flow-rate, gradient, etc.). Emphasis was given to the extrapolation of the structural information based on the fragmentation pattern obtained using atmospheric pressure chemical ionization interface, under each different ionization condition, highlighting the complementary information obtained using the electrospray ionization interface, of support for related molecule ions identification. Furthermore, mass spectra of phosphatidylserine and phosphatidylinositol obtained using the atmospheric pressure chemical ionization interface are reported and discussed for the first time. Copyright © 2017 Elsevier B.V. All rights reserved.

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

Science.gov (United States)

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.

Negative chemical ionization gas chromatography coupled to hybrid quadrupole time-of-flight mass spectrometry and automated accurate mass data processing for determination of pesticides in fruit and vegetables.

Science.gov (United States)

Besil, Natalia; Uclés, Samanta; Mezcúa, Milagros; Heinzen, Horacio; Fernández-Alba, Amadeo R

2015-08-01

Gas chromatography coupled to high resolution hybrid quadrupole time-of-flight mass spectrometry (GC-QTOF MS), operating in negative chemical ionization (NCI) mode and combining full scan with MSMS experiments using accurate mass analysis, has been explored for the automated determination of pesticide residues in fruit and vegetables. Seventy compounds were included in this approach where 50 % of them are not approved by the EU legislation. A global 76 % of the analytes could be identified at 1 μg kg(-1). Recovery studies were developed at three concentration levels (1, 5, and 10 μg kg(-1)). Seventy-seven percent of the detected pesticides at the lowest level yielded recoveries within the 70 %-120 % range, whereas 94 % could be quantified at 5 μg kg(-1), and the 100 % were determined at 10 μg kg(-1). Good repeatability, expressed as relative standard deviation (RSD home-made database was developed and applied to an automatic accurate mass data processing. Measured mass accuracies of the generated ions were mainly less than 5 ppm for at least one diagnostic ion. When only one ion was obtained in the single-stage NCI-MS, a representative product ion from MSMS experiments was used as identification criterion. A total of 30 real samples were analyzed and 67 % of the samples were positive for 12 different pesticides in the range 1.0-1321.3 μg kg(-1).

A versatile triple radiofrequency quadrupole system for cooling, mass separation and bunching of exotic nuclei

Science.gov (United States)

Haettner, Emma; Plaß, Wolfgang R.; Czok, Ulrich; Dickel, Timo; Geissel, Hans; Kinsel, Wadim; Petrick, Martin; Schäfer, Thorsten; Scheidenberger, Christoph

2018-02-01

The combination of in-flight separation with a gas-filled stopping cell has opened a new field for experiments with exotic nuclei. For instance, at the SHIP/SHIPTRAP facility at GSI in Darmstadt high-precision mass measurements of rare nuclei have been successfully performed. In order to extend the reach of SHIPTRAP to exotic nuclei that are produced together with high rates of unwanted reaction products, a novel compact radio frequency quadrupole (RFQ) system has been developed. It implements ion cooling, identification and separation according to mass numbers and bunching capabilities. The system has a total length of one meter only and consists of an RFQ cooler, an RFQ mass filter and an RFQ buncher. A mass resolving power (FWHM) of 240 at a transmission efficiency of 90% has been achieved. The suppression of contaminants from neighboring masses by more than four orders of magnitude has been demonstrated at rates exceeding 106 ions/s. A longitudinal emittance of 0.45 eV μs has been achieved with the RFQ buncher, which will enable improved time-of-flight mass spectrometry downstream of the device. With this triple RFQ system the measurement of e.g. N= Z nuclides in the region up to tin will become possible at SHIPTRAP. The technology is also well suited for other rare-isotope facilities with experimental setups behind a stopping cell, such as the fragment separator FRS with the FRS Ion Catcher at GSI.

Table of Nuclear Electric Quadrupole Moments

International Nuclear Information System (INIS)

Stone, N.J.

2013-12-01

This Table is a compilation of experimental measurements of static electric quadrupole moments of ground states and excited states of atomic nuclei throughout the periodic table. To aid identification of the states, their excitation energy, half-life, spin and parity are given, along with a brief indication of the method and any reference standard used in the particular measurement. Experimental data from all quadrupole moment measurements actually provide a value of the product of the moment and the electric field gradient [EFG] acting at the nucleus. Knowledge of the EFG is thus necessary to extract the quadrupole moment. A single recommended value of the moment is given for each state, based, for each element, wherever possible, upon a standard reference moment for a nuclear state of that element studied in a situation in which the electric field gradient has been well calculated. For several elements one or more subsidiary reference EFG/moment references are required and their use is specified. The literature search covers the period to mid-2013. (author)

Verification of protein biomarker specificity for the identification of biological stains by quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Legg, Kevin M; Powell, Roger; Reisdorph, Nichole; Reisdorph, Rick; Danielson, Phillip B

2017-03-01

Advances in proteomics technology over the past decade offer forensic serologists a greatly improved opportunity to accurately characterize the tissue source from which a DNA profile has been developed. Such information can provide critical context to evidence and can help to prioritize downstream DNA analyses. Previous proteome studies compiled panels of "candidate biomarkers" specific to each of five body fluids (i.e., peripheral blood, vaginal/menstrual fluid, seminal fluid, urine, and saliva). Here, a multiplex quadrupole time-of-flight mass spectrometry assay has been developed in order to verify the tissue/body fluid specificity the 23 protein biomarkers that comprise these panels and the consistency with which they can be detected across a sample population of 50 humans. Single-source samples of these human body fluids were accurately identified by the detection of one or more high-specificity biomarkers. Recovery of body fluid samples from a variety of substrates did not impede accurate characterization and, of the potential inhibitors assayed, only chewing tobacco juice appeared to preclude the identification of a target body fluid. Using a series of 2-component mixtures of human body fluids, the multiplex assay accurately identified both components in a single-pass. Only in the case of saliva and peripheral blood did matrix effects appear to impede the detection of salivary proteins. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Determination of vanillin, ethyl vanillin, and coumarin in infant formula by liquid chromatography-quadrupole linear ion trap mass spectrometry.

Science.gov (United States)

Shen, Yan; Han, Chao; Liu, Bin; Lin, Zhengfeng; Zhou, Xiujin; Wang, Chengjun; Zhu, Zhenou

2014-02-01

A simple, precise, accurate, and validated liquid chromatography-quadrupole linear ion trap mass spectrometry method was developed for the determination of vanillin, ethyl vanillin, and coumarin in infant formula samples. Following ultrasonic extraction with methanol/water (1:1, vol/vol), and clean-up on an HLB solid-phase extraction cartridge (Waters Corp., Milford, MA), samples were separated on a Waters XSelect HSS T3 column (150 × 2.1-mm i.d., 5-μm film thickness; Waters Corp.), with 0.1% formic acid solution-acetonitrile as mobile phase at a flow rate of 0.25 mL/min. Quantification of the target was performed by the internal standard approach, using isotopically labeled compounds for each chemical group, to correct matrix effects. Data acquisition was carried out in multiple reaction monitoring transitions mode, monitoring 2 multiple reaction monitoring transitions to ensure an accurate identification of target compounds in the samples. Additional identification and confirmation of target compounds were performed using the enhanced product ion modus of the linear ion trap. The novel liquid chromatography-quadrupole linear ion trap mass spectrometry platform offers the best sensitivity and specificity for characterization and quantitative determination of vanillin, ethyl vanillin, and coumarin in infant formula and fulfills the quality criteria for routine laboratory application. Copyright © 2014 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Ultrasensitive leak detection during ultrahigh vacuum evacuation by quadrupole mass spectrometer

International Nuclear Information System (INIS)

Chen Xu; Huang Tianbin; Wang Ligong; Jin Qiji; Cha Liangzhen

2006-01-01

One must do ultrasensitive leak detection during ultrahigh-vacuum (UHV) evacuation, especially just before the device is sealed off from the vacuum system, to guarantee the longevity of the sealed high-vacuum or even UHV devices with small volume. A quadrupole mass spectrometer (QMS) with an UHV evacuation system can be used under accumulation mode to do the testing. Possible accumulate modes, as well as their advantages and shortcomings, are studied experimentally and discussed in this paper. We found that the opening action of the metal valve during accumulation mode always severely affects the height of the peak indicated by QMS and causes considerable errors. If we determine the leak rate by the peak area instead of the peak height, the situation is much improved. This method has proven quite useful in ensuring the tightness quality for complex sealed UHV devices with small volumes. Ultrasensitive leak detection has been carried out for such real evacuating devices, and a leak rate of 2x10 -14 Pa·m 3 /s was detected, which is far lower than its dynamic mode and the detection limit of the current advanced commercial leak detectors

A large-aperture, low-resolution quadrupole separator for producing deposited cluster materials

CERN Document Server

Denby, P M

2000-01-01

A wide-aperture, low-resolution quadrupole separator for metal clusters is described. Its performance has been evaluated by numerical calculations of the trajectories of clusters. Operating in the frequency range from 5 to 100 KHz allows one to separate clusters in the mass range from 30000 to 300000 AMU and by suitable choice of the AC and DC voltages one can obtain a resolution of 0.15. At this resolution the transmission of clusters from a source is 100% over the selected mass range. By biasing the quadrupole it has been possible to obtain a very sharp cut-off between the transmitted clusters and those outside the selected range. Trajectory calculation for clusters deposited onto a biased 2 cm diameter substrate show that it is possible to keep the deposition energy below 25 eV for 90% of the clusters when the quadrupole is itself biased.

A large-aperture, low-resolution quadrupole separator for producing deposited cluster materials

Energy Technology Data Exchange (ETDEWEB)

Denby, P.M.; Eastham, D.A. E-mail: d.a.eastham@dl.ac.uk

2000-03-01

A wide-aperture, low-resolution quadrupole separator for metal clusters is described. Its performance has been evaluated by numerical calculations of the trajectories of clusters. Operating in the frequency range from 5 to 100 KHz allows one to separate clusters in the mass range from 30000 to 300000 AMU and by suitable choice of the AC and DC voltages one can obtain a resolution of 0.15. At this resolution the transmission of clusters from a source is 100% over the selected mass range. By biasing the quadrupole it has been possible to obtain a very sharp cut-off between the transmitted clusters and those outside the selected range. Trajectory calculation for clusters deposited onto a biased 2 cm diameter substrate show that it is possible to keep the deposition energy below 25 eV for 90% of the clusters when the quadrupole is itself biased.

A large-aperture, low-resolution quadrupole separator for producing deposited cluster materials

International Nuclear Information System (INIS)

Denby, P.M.; Eastham, D.A.

2000-01-01

A wide-aperture, low-resolution quadrupole separator for metal clusters is described. Its performance has been evaluated by numerical calculations of the trajectories of clusters. Operating in the frequency range from 5 to 100 KHz allows one to separate clusters in the mass range from 30000 to 300000 AMU and by suitable choice of the AC and DC voltages one can obtain a resolution of 0.15. At this resolution the transmission of clusters from a source is 100% over the selected mass range. By biasing the quadrupole it has been possible to obtain a very sharp cut-off between the transmitted clusters and those outside the selected range. Trajectory calculation for clusters deposited onto a biased 2 cm diameter substrate show that it is possible to keep the deposition energy below 25 eV for 90% of the clusters when the quadrupole is itself biased

Eight piece quadrupole magnet, method for aligning quadrupole magent pole tips

Science.gov (United States)

Jaski, Mark S.; Liu, Jie; Donnelly, Aric T.; Downey, Joshua S.; Nudell, Jeremy J.; Jain, Animesh

2018-01-30

The invention provides an alternative to the standard 2-piece or 4-piece quadrupole. For example, an 8-piece and a 10-piece quadrupole are provided whereby the tips of each pole may be adjustable. Also provided is a method for producing a quadrupole using standard machining techniques but which results in a final tolerance accuracy of the resulting construct which is better than that obtained using standard machining techniques.

Compositional characterisation of rare earth magnet materials by glow discharge quadrupole mass spectrometry

International Nuclear Information System (INIS)

Reddy, M.A.; Shekhar, R.; Kumar, Sunil Jai

2014-01-01

In this paper, glow discharge quadrupole mass spectrometric (GD-QMS) studies on Sm-Pr-Co compound magnetic materials are reported. The composition of these magnetic materials produced from different manufacturing routes (imported, indigenous) was determined. The results are compared with the results obtained by an alternative analytic technique, inductively coupled plasma atomic emission spectrometry (ICP-AES), after complete dissolution of the material in the appropriate acids. For perfectly homogeneous material both the wet chemical method and direct solid analysis method should give the same result. A close examination of both the results indicates that for imported materials the values obtained by wet chemical method and direct solid method are in close agreement. This indicates that the imported (solid) material is highly homogeneous. For indigenous materials, it shows a large difference in the values of Co and Sm. This reveals that the solid material prepared is not as homogenous as the imported materials

Analysis of Nitro-aromatic and Nitramine Explosives by Atmospheric Pressure Chemical Ionization / High Performance Liquid Chromatography / Mass Spectrometry / Mass Spectrometry

International Nuclear Information System (INIS)

Hicks, B.J.; Han, W.; Robben, J.R.

2009-01-01

This procedure is capable of separating and quantifying twenty-nine high explosives and internal surrogates with a single injection. After the initial preparation step, the sample is introduced to the high performance liquid chromatograph for target separation, ionized by atmospheric pressure chemical ionization and the explosives of interest are isolated / quantified by mass spectrometry / mass spectrometry. Concentrations of the target explosives are measured relative to the response of both internal and external standard concentrations. A C-18 reverse phase high performance liquid chromatograph column is used for separation. Ionization is performed using both positive and negative atmospheric pressure chemical ionization resulting in a molecular ion with little fragmentation. These ions are isolated at the first quadrupole of the mass spectrometer, dissociated by collision with argon in the collision cell and the resulting daughter ions are isolated at the second quadrupole. These daughter ions then reach the detector where they are quantified. To date this procedure represents the most thorough high performance liquid chromatography / mass spectrometry / mass spectrometry explosives analysis available in the environmental chemistry market. (authors)

Improved sensitivity using liquid chromatography mass spectrometry (LC-MS) for detection of propyl chloroformate derivatised β-N-methylamino-L-alanine (BMAA) in cyanobacteria

OpenAIRE

Esterhuizen-Londt, M; Downing, S; Downing, TG

2011-01-01

β-N-methylamino-L-alanine (BMAA) is a difficult molecule to detect, primarily due to its presence in low concentrations in complex matrices. This has resulted in contradictory reports on the presence of BMAA in cyanobacteria. We report improved sensitivity of detection using propyl chloroformate derivatisation, liquid chromatographic (LC) separation, and single quadrupole mass spectrometry (MS) detection. Triple quadrupole mass spectrometry (MS/MS) was used to confirm the identity of BMAA in ...

Determination of {sup 236}U in environmental samples by single extraction chromatography coupled to triple-quadrupole inductively coupled plasma-mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Yang, Guosheng [Department of Radiation Chemistry, Institute of Radiation Emergency Medicine, Hirosaki University, 66-1 Hon-cho, Hirosaki, Aomori, 036-8564 (Japan); Division of Nuclear Technology and Applications, Institute of High Energy Physics, Chinese Academy of Sciences (China); Beijing Engineering Research Center of Radiographic Techniques and Equipment, Beijing, 100049 (China); Tazoe, Hirofumi [Department of Radiation Chemistry, Institute of Radiation Emergency Medicine, Hirosaki University, 66-1 Hon-cho, Hirosaki, Aomori, 036-8564 (Japan); Yamada, Masatoshi, E-mail: myamada@hirosaki-u.ac.jp [Department of Radiation Chemistry, Institute of Radiation Emergency Medicine, Hirosaki University, 66-1 Hon-cho, Hirosaki, Aomori, 036-8564 (Japan)

2016-11-09

In order to measure trace {sup 236}U and {sup 236}U/{sup 238}U in environmental samples with a high matrix effect, a novel and simple method was developed that makes the digestion and purification procedures compatible with advanced triple-quadrupole inductively coupled plasma-mass spectrometry. A total dissolution of sample with HF + HNO{sub 3} + HClO{sub 4} was followed by chromatographic separation with a single resin column containing normal type DGA resin (N,N,N′,N’-tetra-n-octyldiglycolamide) as the extractant system. The analytical accuracy and precision of {sup 236}U/{sup 238}U ratios, measured as {sup 236}U{sup 16}O{sup +}/{sup 238}U{sup 16}O{sup +}, were examined by using the reference materials IAEA-135, IAEA-385, IAEA-447, and JSAC 0471. The low method detection limit (3.50 × 10{sup −6} Bq kg{sup −1}) makes it possible to perform routine monitoring of environmental {sup 236}U due to global fallout combined with the Fukushima Daiichi Nuclear Power Plant accident fallout (>10{sup −5} Bq kg{sup −1}). Finally, the developed method was successfully applied to measure {sup 236}U/{sup 238}U ratios and {sup 236}U activities in soil samples contaminated by the accident. The low {sup 236}U/{sup 238}U atom ratios ((1.50–13.5) × 10{sup −8}) and {sup 236}U activities ((2.25–14.1) × 10{sup −2} mBq kg{sup −1}) indicate {sup 236}U contamination was mainly derived from global fallout in the examined samples. - Highlights: • A simple {sup 236}U/{sup 238}U analytical method has been developed. • The separation required just one DGA column chromatography. • {sup 236}U/{sup 238}U atom ratios in soil were measured by ICP-MS/MS. • {sup 236}U/{sup 238}U atom ratios of (1.50–13.5) × 10{sup −8} were observed in Japanese samples. • {sup 236}U activities of (2.25–14.1) × 10{sup −2} mBq kg{sup −1} were found in Japanese samples.

Superconducting magnetic quadrupole

Energy Technology Data Exchange (ETDEWEB)

Kim, J.W.; Shepard, K.W.; Nolen, J.A.

1995-08-01

A design was developed for a 350 T/m, 2.6-cm clear aperture superconducting quadrupole focussing element for use in a very low q/m superconducting linac as discussed below. The quadrupole incorporates holmium pole tips, and a rectangular-section winding using standard commercially-available Nb-Ti wire. The magnet was modeled numerically using both 2D and 3D codes, as a basis for numerical ray tracing using the quadrupole as a linac element. Components for a prototype singlet are being procured during FY 1995.

Simultaneous determination of niacin and pyridoxine at trace levels by using diode array high-performance liquid chromatography and liquid chromatography with quadrupole time-of-flight tandem mass spectrometry.

Science.gov (United States)

Sel, Sabriye; Öztürk Er, Elif; Bakırdere, Sezgin

2017-12-01

A highly sensitive and simple diode-array high-performance liquid chromatography and liquid chromatography with quadrupole time-of-flight tandem mass spectrometry method was developed for the simultaneous determination of niacin and pyridoxine in pharmaceutical drugs, tap water, and wastewater samples. To determine the in vivo behavior of niacin and pyridoxine, analytes were subjected to simulated gastric conditions. The calibration plots of the diode-array high-performance liquid chromatography and liquid chromatography with quadrupole time-of-flight tandem mass spectrometry method showed good linearity over a wide concentration range with close to 1.0 correlation coefficients for both analytes. The limit of detection/limit of quantitation values for liquid chromatography quadrupole time-of-flight tandem mass spectrometry analysis were 1.98/6.59 and 1.3/4.4 μg/L for niacin and pyridoxine, respectively, while limit of detection/limit of quantitation values for niacin and pyridoxine in high-performance liquid chromatography analysis were 3.7/12.3 and 5.7/18.9 μg/L, respectively. Recovery studies were also performed to show the applicability of the developed methods, and percentage recovery values were found to be 90-105% in tap water and 94-97% in wastewater for both analytes. The method was also successfully applied for the qualitative and quantitative determination of niacin and pyridoxine in drug samples. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nuclear quadrupole-quadrupole interaction in the inelastic scattering of aligned deuterons from deformed nuclei

International Nuclear Information System (INIS)

Clement, H.; Frick, R.; Graw, G.; Schiemenz, P.; Seichert, N.

1983-01-01

The 2 1 + -excitation of deformed nuclei by tensor polarized deuterons provides an alignment of both nuclei and thus a means to study specifically the quadrupole-quadrupole interaction between both nuclei. The tensor analyzing power Asub(xz)(theta) has been measured for the elastic and inelastic scattering on 24 Mg and 28 Si. The coupled channel analysis including a deformed tensor potential reveals a clear signature of the quadrupole-quadrupole part of the nuclear projectile-target interaction. (orig.)

A novel approach to the quantitative detection of anabolic steroids in bovine muscle tissue by means of a hybrid quadrupole time-of-flight-mass spectrometry instrument.

Science.gov (United States)

Bussche, Julie Vanden; Decloedt, Anneleen; Van Meulebroek, Lieven; De Clercq, Nathalie; Lock, Stephen; Stahl-Zeng, Jianru; Vanhaecke, Lynn

2014-09-19

In recent years, the analysis of veterinary drugs and growth-promoting agents has shifted from target-oriented procedures, mainly based on liquid chromatography coupled to triple-quadrupole mass spectrometry (LC-QqQ-MS), towards accurate mass full scan MS (such as Time-of-Flight (ToF) and Fourier Transform (FT)-MS). In this study, the performance of a hybrid analysis instrument (i.e. UHPLC-QuadrupoleTime-of-Flight-MS (QqToF-MS)), able to exploit both full scan HR and MS/MS capabilities within a single analytical platform, was evaluated for confirmatory analysis of anabolic steroids (gestagens, estrogens including stilbenes and androgens) in meat. The validation data was compared to previously obtained results (CD 2002/657/EC) for QqQ-MS and single stage Orbitrap-MS. Additionally, a fractional factorial design was used to shorten and optimize the sample extraction. Validation according to CD 2002/657/EC demonstrated that steroid analysis using QqToF has a higher competing value towards QqQ-MS in terms of selectivity/specificity, compared to single stage Orbitrap-MS. While providing excellent linearity, based on lack-of-fit calculations (F-test, α=0.05 for all steroids except 17β-ethinylestradiol: α=0.01), the sensitivity of QqToF-MS proved for 61.8% and 85.3% of the compounds more sensitive compared to QqQ-MS and Orbitrap-MS, respectively. Indeed, the CCα values, obtained upon ToF-MS/MS detection, ranged from 0.02 to 1.74μgkg(-1) for the 34 anabolic steroids, while for QqQ-MS and Orbitrap-MS values ranged from 0.04 to 0.88μgkg(-1) and from 0.07 to 2.50μgkg(-1), respectively. Using QqToF-MS and QqQ-MS, adequate precision was obtained as relative standard deviations for repeatability and within-laboratory reproducibility, were below 20%. In case of Orbitrap-MS, some compounds (i.e. some estrogens) displayed poor precision, which was possibly caused by some lack of sensitivity at lower concentrations and the absence of MRM-like experiments. Overall, it can be

Sensitive helium leak detection in a deuterium atmosphere using a high-resolution quadrupole mass spectrometer

International Nuclear Information System (INIS)

Hiroki, S.; Abe, T.; Murakami, Y.

1996-01-01

In fusion machines, realizing a high-purity plasma is a key to improving the plasma parameters. Thus, leak detection is a necessary part of reducing the leak rate to a tolerable level. However, a conventional helium ( 4 He) leak detector is useless in fusion machines with a deuterium (D 2 ) plasma, because retained D particles on the first walls release D 2 for a long period and the released D 2 interferes with the signals from the leaked 4 He due to the near identical masses of 4.0026 u ( 4 He) and 4.0282 u (D 2 ). A high-resolution quadrupole mass spectrometer (HR-QMS) that we have recently developed, can detect a 4 He + population as small as 10 -4 peak in a D 2 atmosphere. Thus, the HR-QMS has been applied to detect 4 He leaks. To improve the minimum detectable limit of 4 He leak, a differentially pumped HR-QMS analyzer was attached to a chamber of the 4 He leak detector. In conclusion, the improved 4 He leak detector could detect 4 He leaks of the order of 10 -10 Pa · m 3 /s in a D 2 atmosphere. (Author)

Point-particle limit and the far-zone quadrupole formula in general relativity

International Nuclear Information System (INIS)

Futamase, T.

1985-01-01

Strong internal gravity is incorporated in a divergent-free post-Newtonian approximation scheme by introducing a body-zone limit. When incorporated into the notion of sequences of solutions, this provides the first rigorous point-particle limit in general relativity. The scheme is applied to construct an asymptotic approximation to a binary system composed of two rotating neutron stars. The lowest-order calculation is carried out in the near and far zones, giving Newton's equations of motion and the far-zone quadrupole formula. The quadrupole moment of the system is expressed in terms of a mass integral over each compact star. The same mass appears in Newton's equations of motion. The mass is indeed the Arnowitt-Deser-Misner mass the compact star would have if it were isolated. Thus the equivalence principle for strong gravity is confirmed, even for gravitational radiation: gravitational potential energy radiates the same amount of gravitational waves as any other form of energy does

Study of impurities in Aditya Tokamak during different conditions using quadrupole mass analyzer

International Nuclear Information System (INIS)

Bhatt, S.B.; Jadeja, K.A.; Patel, K.M.; Patel, N.D.; Raval, M.K.; Ghosh, J.

2015-01-01

In fusion devices, e.g., Tokamak, the presence of the impurities, i.e. gas species other than the fuel gas, deteriorates plasma and makes confinement difficult. The gas molecules tend to get adsorbed on the surfaces of the solid state materials of the vessel wall during discharges. A Residual Gas Analyzer (RGA) is the most commonly useful instrument to measure the presence and quantity of the various gases in a vacuum system. Quadrupole Mass Analyzer (QMA) is installed on Aditya Tokamak to measure the concentrations of various gas species present in Aditya vacuum system. It is also used to monitor impurities generated during various phases of discharges in Aditya Tokamak. The impurities are reduced by various types of discharge cleaning and in-situ coatings. Presence of residual gas concentration in vacuum system creates limitation for achievement of ultrahigh vacuum and also affects plasma performance. The presence of residual gases is due to different reasons like atmospheric concentration, contamination of the wall materials, outgassing from the exposed materials, permeation, real and virtual leaks

The first LHC insertion quadrupole

CERN Multimedia

2004-01-01

An important milestone was reached in December 2003 at the CERN Magnet Assembly Facility. The team from the Accelerator Technology - Magnet and Electrical Systems group, AT-MEL, completed the first special superconducting quadrupole for the LHC insertions which house the experiments and major collider systems. The magnet is 8 metres long and contains two matching quadrupole magnets and an orbit corrector, a dipole magnet, used to correct errors in quadrupole alignment. All were tested in liquid helium and reached the ultimate performance criteria required for the LHC. After insertion in the cryostat, the superconducting magnet will be installed as the Q9 quadrupole in sector 7-8, the first sector of the LHC to be put in place in 2004. Members of the quadrupole team, from the AT-MEL group, gathered around the Q9 quadrupole at its inauguration on 12 December 2003 in building 181.

Quadrupole deflector of the double Penning trap system MLLTRAP

Energy Technology Data Exchange (ETDEWEB)

Gartzke, Eva; Kolhinen, Veli; Habs, Dietrich; Neumayr, Juergen; Schuermann, Christian; Szerypo, Jerzy; Thirolf, Peter [Fakultaet fuer Physik, LMU Muenchen, Garching (Germany); Maier-Leibnitz Laboratory, Garching (Germany)

2009-07-01

A cylindrical double Penning trap has been installed and successfully commissioned at the Maier-Leibnitz Laboratory in Garching. This trap system has been designed to isobarically purify low energy ion beams and perform highly accurate mass measurements. An electrostatic quadrupole deflector has been designed and installed at the injection line of the Penning trap system enabling a simultaneous use of an online ion beam with reference ions from an offline ion source. Alternatively two offline sources can be used concurrently e.g. an {alpha} recoil sources providing heavy radioactive species (e.g {sup 240}U) together with reference mass ions (which in the future will be e.g. a carbon cluster ion source). The bender has been designed for beam energies up to 1 keV with q/A ratios 1/1-1/250. This presentation shows the technical design and the operating parameters of the quadrupole beam bender and its implementation at the MLLTRAP system.

Quadrupole shunt experiments at SPEAR

International Nuclear Information System (INIS)

Corbett, W.J.; Hettel, R.O.; Nuhn, H.-D.

1996-05-01

As part of a program to align and stabilize the SPEAR storage ring, a switchable shunt resistor was installed on each quadrupole to bypass a small percentage of the magnet current. The impact of a quadrupole shunt is to move the electron beam orbit in proportion to the off-axis beam position at the quadrupole, and to shift the betatron tune. Initially, quadrupole shunts in SPEAR were used to position the electron beam in the center of the quadrupoles. This provided readback offsets for nearby beam position monitors, and helped to steer the photon beams with low-amplitude corrector currents. The shunt-induced tune shift measurements were then processed in MAD to derive a lattice model

Quadrupole collective excitations in rapidly rotating nuclej

International Nuclear Information System (INIS)

Mikhajlov, I.N.

1983-01-01

The spectrum of collective quadrupole excitations in nuclei is investigated. The average nucleus field has the axial symmetry and rotation occurs relatively to this axis. Dependences of the spectrum of quadrupole oscillations on rotation rate for classic liquid drop (CLD) and for a drop of fermi-liquid (DFL) with fissionability parameter X=0.62 ( 154 Er) are presented. The dependence of probabilities of E2-transitions between single-phonon and phonon-free states on rotation rate for CLD and DFL with fussionability parameter X=0.62 ( 154 Er) is also presented. It is shown that for CLD collective E2-transition of states of yrast-consequence is absolutely forbidden. For DFL transitions are possible that lead to decay of phonon-free state with the excitation of phonons of γ-modes and decrease of angular momentum

[Structure identification of contaminants in a beverage product by liquid chromatography coupled with quadrupole time-of-flight mass spectrometry].

Science.gov (United States)

Miyamoto, Yasuhisa; Washida, Kazuto; Uyama, Atsuo; Mochizuki, Naoki

2014-01-01

The contaminants in a beverage product that had been reported to have a strange taste were identified. By comparative analysis with the normal product using liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (LC-QTOF-MS), six unknown compounds were detected in the total ion current chromatograms of the product in question. Detailed analysis of the mass spectra and product ion spectra of these compounds strongly suggested that the compounds were capric acid diethanolamide, lauric acid diethanolamide, myristic acid diethanolamide, lauryl dimethylaminoacetic acid, lauryl sulfate, and lauric acid, all of which are surfactants commonly used as ingredients of household detergents and shampoos. We searched commercially available detergent products to check for the presence of these six surfactants, and identified products that might have been intentionally or unintentionally mixed into the beverage product after opening.

Quadrupole shunt experiments at SPEAR

International Nuclear Information System (INIS)

Corbett, W.J.; Hettel, R.O.; Nuhn, H.

1997-01-01

As part of a program to align and stabilize the SPEAR storage ring, a switchable shunt resistor was installed on each quadrupole to bypass a small percentage of the magnet current. The impact of a quadrupole shunt is to move the electron beam orbit in proportion to the off-axis beam position at the quadrupole and to shift the betatron tune. Initially, quadrupole shunts in SPEAR were used to position the electron beam in the center of the quadrupoles. This provided readback offsets for nearby beam position monitors and helped to steer the photon beams with low-amplitude corrector currents. The shunt-induced tune shift measurements were then processed in MAD to derive a lattice model. copyright 1997 American Institute of Physics

Electric quadrupole strength in nuclei

International Nuclear Information System (INIS)

Kirson, M.W.

1979-01-01

Isoscalar electric quadrupole strength distributions in nuclei are surveyed, and it is concluded that the strength is shared, in most cases, roughly equally between low-lying transitions and the giant quadrupole state. The same is not true of the isovector case. A simple extension of the schematic model gives a remarkably successul description of the data, and emphasizes the vital importance of the coupling between high-lying and low-lying quadrupole modes. The standadrd simple representation of the giant quadrupole resonance as produced by operating on the nuclear ground state with the quadrupole transition operator is not applicable to the isoscalar case. It is suggested that giant resonances fall into broad classes of similar states, with considerable qualitative differences between the distinct classes. (author)

Simultaneous Determination of Ten Constituents in Chaiqin Qingning Capsule by High-performance Liquid Chromatography Coupled with Triple-quadrupole Mass Spectrometry.

Science.gov (United States)

Li, Ting Yu; Huo, Xiao Kui; Zheng, Lu; Wang, Chao; Cong, Hai Jian; Xiang, Ting; Zhang, Lin; Zhang, Bao Jing; Huang, Shan Shan; Wu, Bin; Li, Xin Yu

2017-01-01

Chaiqin Qingning Capsule (CQQNC) was a prescription of Traditional Chinese Medicine with the effects of clearing away heat and removing toxin, harmonizing the exterior and interior, it was widely used in Asian, for example, China and Japan, different batches of the raws materials and different processing time may be the vital factor which raised a challenge to control the quality of the CQQNC. In this experiment, a high-performance liquid chromatography-mass spectrometry/MS (HPLC-MS/MS) method was developed to simultaneously determine ten bioactive components for the quality control of CQQNC. Chromatographic separation was achieved using an XBridge BEH C18 column (150 mm × 4.6 mm, 2.5 μm) with a mobile phase composed of 10 mm aqueous ammonium acetate and acetonitrile using a gradient elution in 20 min. This study was conducted by multiple reaction monitoring mode through electrospray ionization resource with a negative ionization mode. The established method was validated with good performance of precision, accuracy, stability, and reproducibility and was utilized to simultaneously quantify ten constituents of CQQNC obtained from seven different batches. It is the first time to report the rapid and simultaneous analysis of the ten compounds in CQQNC by HPLC-MS/MS and apply to determine 10 constituents in 7 batches of CQQNC bought from drug store in china. This method could be considered as good quality criteria to control the quality of CQQNC. In this paper, a simple, specific, and rapid high-performance liquid chromatogram coupled with triple-quadrupole mass spectrometry method for simultaneous quantification of ten constituents in Chaiqin Qingning Capsule has been developed for the first time. This method could be considered as good quality criteria to control the quality of CQQNC. Abbreviations used: CHM: Chinese herbal medicine; TCM: Traditional Chinese Medicine; CQQNC: Triple-quadrupole mass spectrometry Chaiqin Qingning Capsules; HPLC-MS/MS: High liquid

Simultaneous Determination of Ten Constituents in Chaiqin Qingning Capsule by High-performance Liquid Chromatography Coupled with Triple-quadrupole Mass Spectrometry

Science.gov (United States)

Li, Ting Yu; Huo, Xiao Kui; Zheng, Lu; Wang, Chao; Cong, Hai Jian; Xiang, Ting; Zhang, Lin; Zhang, Bao Jing; Huang, Shan Shan; Wu, Bin; Li, Xin Yu

2017-01-01

Background: Chaiqin Qingning Capsule (CQQNC) was a prescription of Traditional Chinese Medicine with the effects of clearing away heat and removing toxin, harmonizing the exterior and interior, it was widely used in Asian, for example, China and Japan, different batches of the raws materials and different processing time may be the vital factor which raised a challenge to control the quality of the CQQNC. Experimental Methods: In this experiment, a high-performance liquid chromatography-mass spectrometry/MS (HPLC-MS/MS) method was developed to simultaneously determine ten bioactive components for the quality control of CQQNC. Chromatographic separation was achieved using an XBridge BEH C18 column (150 mm × 4.6 mm, 2.5 μm) with a mobile phase composed of 10 mm aqueous ammonium acetate and acetonitrile using a gradient elution in 20 min. This study was conducted by multiple reaction monitoring mode through electrospray ionization resource with a negative ionization mode. Results: The established method was validated with good performance of precision, accuracy, stability, and reproducibility and was utilized to simultaneously quantify ten constituents of CQQNC obtained from seven different batches. Conclusion: It is the first time to report the rapid and simultaneous analysis of the ten compounds in CQQNC by HPLC-MS/MS and apply to determine 10 constituents in 7 batches of CQQNC bought from drug store in china. This method could be considered as good quality criteria to control the quality of CQQNC. SUMMARY In this paper, a simple, specific, and rapid high-performance liquid chromatogram coupled with triple-quadrupole mass spectrometry method for simultaneous quantification of ten constituents in Chaiqin Qingning Capsule has been developed for the first time. This method could be considered as good quality criteria to control the quality of CQQNC. Abbreviations used: CHM: Chinese herbal medicine; TCM: Traditional Chinese Medicine; CQQNC: Triple-quadrupole mass

Results of Magnetic Axis Measurements on a Prototype Main Lattice Quadrupole for the LHC

CERN Document Server

Smirnov, N; Deferne, G; Parma, V; Rohmig, P; Tortschanoff, Theodor

2004-01-01

More than 470 twin aperture lattice quadrupoles are needed for the Large Hadron Collider (LHC) under construction at CERN. The lattice quadrupole, assembled with correction magnets in its helium enclosure - the cold mass and integrated in a common cryostat called the Short Straight Section (SSS). All SSS cold mass prototypes have been developed and built by CEA (Saclay) in collaboration with CNRS (Orsay, France). The last SSS prototype (SSS5) was used to investigate the behavior of the magnetic axis through various steps of the installation cycle for the series quadrupoles: including transportation, thermal-cycles, and being lowered into the tunnel. Results of extensive measurements before and after each of these stages are presented here, showing that the effect of transport is weak and within the window of measurement resolution. Also shown is that the long-term stability observed during two years is comparable with the requirements from magnet tolerances. To minimize systematic errors, all tests were perfo...

Measurement of time dependent fields in high gradient superconducting quadrupoles for the Tevatron

International Nuclear Information System (INIS)

Lamm, M.J.; Coulter, K.; Gourlay, S.; Jaffery, T.S.

1990-10-01

Magnetic field measurements have been performed on prototype and production magnets from two high gradient superconducting quadrupoles designs. One design is a double shell quadrupole with 36 strand Rutherford cable. The other design is a single shell quadrupole with 5 individually monolithic strands connected in series. These magnets have similar bore diameters and cable dimensions. However, there are significant differences between the two designs, as well as differences between prototype and production magnets within each design, with regard to Cu to superconductor ratio, filament diameter and filament spacing to strand diameter. The time dependence of fixed currents of the measured magnetic fields is discussed. 9 refs., 6 figs., 1 tab

Determination of suspected allergens in cosmetic products by headspace-programmed temperature vaporization-fast gas chromatography-quadrupole mass spectrometry.

Science.gov (United States)

del Nogal Sánchez, Miguel; Pérez-Pavón, José Luis; Moreno Cordero, Bernardo

2010-07-01

In the present work, a strategy for the qualitative and quantitative analysis of 24 volatile compounds listed as suspected allergens in cosmetics by the European Union is reported. The list includes benzyl alcohol, limonene, linalool, methyl 2-octynoate, beta-citronellol, geraniol, citral (two isomers), 7-hydroxycitronellal, anisyl alcohol, cinnamal, cinnamyl alcohol, eugenol, isoeugenol (two isomers), coumarin, alpha-isomethyl ionone, lilial, alpha-amylcinnamal, lyral, alpha-amylcinnamyl alcohol, farnesol (three isomers), alpha-hexyl cinnamal, benzyl cinnamate, benzyl benzoate, and benzyl salicylate. The applicability of a headspace (HS) autosampler in combination with a gas chromatograph (GC) equipped with a programmable temperature vaporizer (PTV) and a quadrupole mass spectrometry (qMS) detector is explored. By using a headspace sampler, sample preparation is reduced to introducing the sample into the vial. This reduces the analysis time and the experimental errors associated with this step of the analytical process. Two different injection techniques were used: solvent-vent injection and hot-split injection. The first offers a way to improve sensitivity at the same time maintaining the simple headspace instrumentation and it is recommended for compounds at trace levels. The use of a liner packed with Tenax-TA allowed the compounds of interest to be retained during the venting process. The signals obtained when hot-split injection was used allowed quantification of all the compounds according to the thresholds of the European Cosmetics Directive. Monodimensional gas chromatography coupled to a conventional quadrupole mass spectrometry detector was used and the 24 analytes were separated appropriately along a run time of about 12 min. Use of the standard addition procedure as a quantification technique overcame the matrix effect. It should be emphasized that the method showed good precision and accuracy. Furthermore, it is rapid, simple, and--in view of the

Electrospray ionization tandem mass spectrometry of ammonium cationized polyethers.

Science.gov (United States)

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

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

Science.gov (United States)

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.

Profiling the indole alkaloids in yohimbe bark with ultra-performance liquid chromatography coupled with ion mobility quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Sun, Jianghao; Baker, Andrew; Chen, Pei

2011-09-30

An ultra-performance liquid chromatography/ion mobility quadrupole time-of-flight mass spectrometry (UPLC/IM-QTOF-MS) method was developed for profiling the indole alkaloids in yohimbe bark. Many indole alkaloids with the yohimbine or ajmalicine core structure, plus methylated, oxidized and reduced species, were characterized. Common fragments and mass differences are described. It was shown that the use of IMS could provide another molecular descriptor, i.e. molecular shape by rotationally averaged collision cross-section; this is of great value for identification of constituents when reference materials are usually not available. Using the combination of high resolution (~40000) accurate mass measurement with time-aligned parallel (TAP) fragmentation, MS(E) (where E represents collision energy), ion mobility mass spectrometry (IMS) and UPLC chromatography, a total 55 indole alkaloids were characterized and a few new indole alkaloids are reported for the first time. Published in 2011 by John Wiley & Sons, Ltd.

Hybrid quadrupole-orbitrap mass spectrometry analysis with accurate-mass database and parallel reaction monitoring for high-throughput screening and quantification of multi-xenobiotics in honey.

Science.gov (United States)

Li, Yi; Zhang, Jinzhen; Jin, Yue; Wang, Lin; Zhao, Wen; Zhang, Wenwen; Zhai, Lifei; Zhang, Yaping; Zhang, Yongxin; Zhou, Jinhui

2016-01-15

This study reports a rapid, automated screening and quantification method for the determination of multi-xenobiotic residues in honey using ultra-high performance liquid chromatography-hybrid quadrupole-Orbitrap mass spectrometry (UHPLC-Q-Orbitrap) with a user-built accurate-mass database plus parallel reaction monitoring (PRM). The database contains multi-xenobiotic information including formulas, adduct types, theoretical exact mass and retention time, characteristic fragment ions, ion ratios, and mass accuracies. A simple sample preparation method was developed to reduce xenobiotic loss in the honey samples. The screening method was validated based on retention time deviation, mass accuracy via full scan-data-dependent MS/MS (full scan-ddMS2), multi-isotope ratio, characteristic ion ratio, sensitivity, and positive/negative switching performance between the spiked sample and corresponding standard solution. The quantification method based on the PRM mode is a promising new quantitative tool which we validated in terms of selectivity, linearity, recovery (accuracy), repeatability (precision), decision limit (CCα), detection capability (CCβ), matrix effects, and carry-over. The optimized methods proposed in this study enable the automated screening and quantification of 157 compounds in less than 15 min in honey. The results of this study, as they represent a convenient protocol for large-scale screening and quantification, also provide a research approach for analysis of various contaminants in other matrices. Copyright © 2015 Elsevier B.V. All rights reserved.

Determination of triacylglycerol regioisomers using electrospray ionization-quadrupole ion trap mass spectrometry with a kinetic method.

Science.gov (United States)

Leveque, Nathalie L; Acheampong, Akwasi; Heron, Sylvie; Tchapla, Alain

2012-04-13

The kinetic method was applied to differentiate and quantify mixtures of regioisomeric triacylglycerols (TAGs) by generating and mass selecting alkali ion bound metal dimeric clusters with a TAG chosen as reference (ref) and examining their competitive dissociations in a quadrupole ion trap mass spectrometer. This methodology readily distinguished pairs of regioisomers (AAB/ABA) such as LLO/LOL, OOP/OPO and SSP/SPS and consequently distinguished sn-1/sn-3, sn-2 substituents on the glycerol backbone. The dimeric complex ions [ref, Li, TAG((AAB and/or ABA))](+) generated by electrospray ionization mass spectrometry were subjected to collision induced dissociation causing competitive loss of either the neutral TAG reference (ref) leading to [Li(AAB and/or ABA)](+) or the neutral TAG molecule (TAG((AAB and/or ABA))) leading to [ref, Li](+). The ratio of the two competitive dissociation rates, defined by the product ion branching ratio (R(iso)), was related via the kinetic method to the regioisomeric composition of the investigated TAG mixture. In this work, a linear correlation was established between composition of the mixture of each TAG regioisomer and the logarithm of the branching ratio for competitive fragmentation. Depending on the availability of at least one TAG regioisomer as standard, the kinetic method and the standard additions method led to the quantitative analysis of natural TAG mixtures. Copyright © 2012 Elsevier B.V. All rights reserved.

SPS Quadrupole Magnets

CERN Multimedia

1974-01-01

A stack of SPS Quadrupole Magnets ready for installation in the tunnel. The SPS uses a total of 216 laminated normal conducting lattice quadrupoles with a length of 3.13 m for the core, 3.3 m overall. The F and D quads. have identical characteristics: inscribed circle radius 44 mm, core height and width 800 mm, maximum gradient 20 Tesla/m.

Structural elucidation and identification of a new derivative of phenethylamine using quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Sekuła, Karolina; Zuba, Dariusz

2013-09-30

In recent years, the phenomenon of uncontrolled distribution of new psychoactive substances that were marketed without prior toxicological studies has been observed. Because many designer drugs are related in chemical structure, the potential for misidentifying them is an important problem. It is therefore essential to develop an analytical procedure for unequivocal elucidation of the structures of these compounds. The issue has been discussed in the context of 25I-NBMD [2-(4-iodo-2,5-dimethoxyphenyl)-N-[(2,3-methylenedioxyphenyl)methyl]ethanamine], a psychoactive substance first discovered on the drug market in 2012. The substance was extracted from blotter papers with methanol. Separation was achieved via liquid chromatography. Analysis was conducted by electrospray ionization quadrupole time-of-flight mass spectrometry (ESI-QTOFMS). Identification of the psychoactive component was supported by electron impact gas chromatography/mass spectrometry (GC/EI-MS). The high accuracy of the LC/ESI-QTOFMS method allowed the molecular mass of the investigated substance (M(exp) = 441.0438 Da; mass error, ∆m = 0.2 ppm) and the formulae of ions formed during fragmentation to be determined. The main ions were recorded at m/z = 135.0440, 290.9876 and 305.9981. Structures of the obtained ions were elucidated in the tandem mass spectrometry (MS/MS) experiments by comparing them to mass spectra of previously detected derivatives of phenethylamine. The performed study indicated the potential for using LC/QTOFMS method to identify new designer drugs. This technique can be used supplementary to standard GC/MS. Prior knowledge of the fragmentation mechanisms of phenethylamines allowed to predict the mass spectra of the novel substance--25I-NBMD. Copyright © 2013 John Wiley & Sons, Ltd.

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

OpenAIRE

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

2018-01-01

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 alkaloi...

CLIC Quadrupole Module final report

CERN Document Server

Artoos, K; Mainaud-Durand, H

2013-01-01

Future Linear colliders will need particle beam sizes in the nanometre range. The beam also needs to be stable all along the beam line. The CLIC Main Beam Quadrupole (MBQ) module has been defined and studied. It is meant as a test stand for stabilisation and pre-alignment with a MB Quadrupole. The main topic that has been tackled concerns the Quadrupole magnet stabilisation to 1nm at 1Hz. This is needed to obtain the desired CLIC luminosity of 2.1034 cm-2m-1. The deliverable was demonstrated by procuring a MBQ and by stabilising a powered and cooled CLIC MBQ quadrupole. In addition, the stabilisation system has to be compatible with the pre-alignment procedures. Pre-alignment movement resolution has been demonstrated to 1m. The last step is the combined test of stability with a quadrupole on a CLIC Module with the pre-alignment.

Prototype Superconducting Quadrupole for the ISR low-beta insertion

CERN Multimedia

CERN PhotoLab

1977-01-01

The picture shows the cold mass of the Quadrupole with its outer aluminium alloy rings pre-compressing the superconducting coils via the magnetic yoke split in 4 parts.The end of the inner vacuum chamber,supporting the 6-pole correction windings, can also be seen as well as the electrical connections. See also photos 7702690X, 7702307.

MQXFS1 Quadrupole Design Report

Energy Technology Data Exchange (ETDEWEB)

Ambrosio, Giorgio [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States); et al.

2016-04-14

This report presents the reference design of MQXFS1, the first 1.5 m prototype of the low-beta quadrupoles (MQXF) for the LHC High Luminosity Upgrade. The MQXF quadrupoles have 150 mm aperture, coil peak field of about 12 T, and use $Nb_{3}Sn$ conductor. The design is based on the LARP HQ quadrupoles, which had 120 mm aperture. MQXFS1 has 1st generation cable cross-section and magnetic design.

Determination of sildenafil mixed into herbal honey mixture by ultra-performance liquid chromatography-quadrupole time of flight mass spectrometry

Directory of Open Access Journals (Sweden)

Neira Mustabasic

2017-01-01

Full Text Available There has been a number of reports of natural products contaminated with illegal adulterants that threaten consumer health because of their adverse pharmacological effects worldwide. In this study, a multi-residual ultra-performance liquid chromatography method with quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS was applied for the identification of sildenafil added into a herbal honey mixture used as an immune system booster. Electrospray ionization (ESI source was applied and operated in the positive ion mode. The mobile phase consisted of 0.1% formic acid aqueous solution/acetonitrile (70:30, v/v using the isocratic gradient elution system at a detection wavelength of 290 nm. The compound of sildenafil added into traditional herbal mixed honey was identified according to the spectrum, chromatographic behavior, and mass spectral data were identified by comparison with the reference substance. The method is selective, sensitive and can be used to detect the sildenafil illegally added into traditional herbal medicinal preparations.

Quantitative analysis of cytokinins in plants by liquid chromatography single-quadrupole mass spectrometry

Czech Academy of Sciences Publication Activity Database

Novák, Ondřej; Tarkowski, Petr; Tarkowská, Danuše; Doležal, Karel; Lenobel, René; Strnad, Miroslav

2003-01-01

Roč. 480, č. 2 (2003), s. 207ů218 ISSN 0003-2670 R&D Projects: GA ČR GA522/01/0275 Grant - others:Volkswagen Stiftung(DE) I/76 865 Institutional research plan: CEZ:AV0Z5038910; CEZ:MSM 153100008 Keywords : Liquid chromatography mass spectrometry * Cytokinins Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 2.210, year: 2003

Design and fabrication of the prototype superconducting quadrupole for the CERN LHC project

International Nuclear Information System (INIS)

Baze, J.M.; Cacaut, D.; Jacquemin, J.P.; Lyraud, C.; Michez, C.; Pabot, Y.; Perot, J.; Rifflet, J.M.; Toussaint, J.C.; Vedrine, P.

1992-01-01

Within the framework of the LHC R and D program, CERN and CEA/Saclay have established a collaboration to carry out, amongst others, the design, building and testing of a superconducting LHC prototype quadrupole at the Saclay laboratory. The cold mass of this quadrupole is presently under construction at Saclay. The quadrupole design features a twin aperture configuration, a gradient design features a twin aperture configuration, a gradient of 250T/m, a length of 3m and a free coil aperture of 56mm. European industries participate in this project by delivering components and fabrication the tooling according to specifications prepared by Saclay. This paper gives details of the magnet design and construction. Coil winding will start in summer 1991 and the first prototype should be assembled and ready for testing by mid 1992

Magnetic Measurement Results of the LCLS Undulator Quadrupoles

Energy Technology Data Exchange (ETDEWEB)

Anderson, Scott; Caban, Keith; Nuhn, Heinz-Dieter; Reese, Ed; Wolf, Zachary; /SLAC

2011-08-18

This note details the magnetic measurements and the magnetic center fiducializations that were performed on all of the thirty-six LCLS undulator quadrupoles. Temperature rise, standardization reproducibility, vacuum chamber effects and magnetic center reproducibility measurements are also presented. The Linac Coherent Light Source (LCLS) undulator beam line has 33 girders, each with a LCLS undulator quadrupole which focuses and steers the beam through the beam line. Each quadrupole has main quadrupole coils, as well as separate horizontal and vertical trim coils. Thirty-six quadrupoles, thirty-three installed and three spares were, manufactured for the LCLS undulator system and all were measured to confirm that they met requirement specifications for integrated gradient, harmonics and for magnetic center shifts after current changes. The horizontal and vertical dipole trims of each quadrupole were similarly characterized. Each quadrupole was also fiducialized to its magnetic center. All characterizing measurements on the undulator quads were performed with their mirror plates on and after a standardization of three cycles from -6 to +6 to -6 amps. Since the undulator quadrupoles could be used as a focusing or defocusing magnet depending on their location, all quadrupoles were characterized as focusing and as defocusing quadrupoles. A subset of the undulator quadrupoles were used to verify that the undulator quadrupole design met specifications for temperature rise, standardization reproducibility and magnetic center reproducibility after splitting. The effects of the mirror plates on the undulator quadrupoles were also measured.

Engineering quadrupole magnetic flow sorting for the isolation of pancreatic islets

Energy Technology Data Exchange (ETDEWEB)

Kennedy, David J. [IKOtech, LLC, 3130 Highland Avenue, 3rd Floor, Cincinnati, OH 45219-2374 (United States)]. E-mail: David.Kennedy@IKOtech.com; Todd, Paul [SHOT, Inc., Greenville, IN (United States); Logan, Sam [SHOT, Inc., Greenville, IN (United States); Becker, Matthew [SHOT, Inc., Greenville, IN (United States); Papas, Klearchos K. [Diabetes Institute for Immunology and Transplantation, University of Minnesota, Minneapolis, MN (United States); Moore, Lee R. [Biomedical Engineering Department, Cleveland Clinic Foundation, Cleveland, OH (United States)

2007-04-15

Quadrupole magnetic flow sorting (QMS) is being adapted from the separation of suspensions of single cells (<15 {mu}m) to the isolation of pancreatic islets (150-350 {mu}m) for transplant. To achieve this goal, the critical QMS components have been modeled and engineered to optimize the separation process. A flow channel has been designed, manufactured, and tested. The quadrupole magnet assembly has been designed and verified by finite element analysis. Pumps have been selected and verified by test. Test data generated from the pumps and flow channel demonstrate that the fabricated channel and peristaltic pumps fulfill the requirements of successful QMS separation.

Engineering quadrupole magnetic flow sorting for the isolation of pancreatic islets

International Nuclear Information System (INIS)

Kennedy, David J.; Todd, Paul; Logan, Sam; Becker, Matthew; Papas, Klearchos K.; Moore, Lee R.

2007-01-01

Quadrupole magnetic flow sorting (QMS) is being adapted from the separation of suspensions of single cells (<15 μm) to the isolation of pancreatic islets (150-350 μm) for transplant. To achieve this goal, the critical QMS components have been modeled and engineered to optimize the separation process. A flow channel has been designed, manufactured, and tested. The quadrupole magnet assembly has been designed and verified by finite element analysis. Pumps have been selected and verified by test. Test data generated from the pumps and flow channel demonstrate that the fabricated channel and peristaltic pumps fulfill the requirements of successful QMS separation

A compact quadrupole ion filter for helium detection

International Nuclear Information System (INIS)

Pereira, E.B.

1981-01-01

A compact quadrupole ion filter was conceived and constructed for optimum performance at the mass four region of the mass spectra. It was primarely designed for geological applications in the measurements of helium of soil-gases. The whole ion filter structure is 15 cm long by 3.5 cm diameter, including ion source and collecting plate. The sensitivity to helium is of the order of 10 - 2 A.torr - 1 measured at a total pressure of 6x10 - 6 torr and resolution 6. The system can be easily adapted to work as a dynamic residual gas analyser for other purposes. (Author) [pt

Characterisation of nuclear fuel samples by quadrupole and multi-collector inductively coupled plasma mass spectrometry

International Nuclear Information System (INIS)

Wernli, Beath; Guenther-Leopold, Ines; Kobler Waldis, Judith; Kopajtic, Zlatan

2003-01-01

The characterisation of nuclear fuel cycle materials for trace and minor metallic constituents is of great interest for the nuclear industry and safeguard officials. The main objective of various international programmes dealing with postirradiation examinations is to improve the knowledge of the inventories of actinides, fission and spallation products in spent nuclear fuels. The low detection limits for a large number of elements combined with the ability to analyse the isotopic composition of the elements have established inductively coupled plasma mass spectrometry (ICP-MS) as a powerful multi-element technique in diverse analytical applications for the characterisation of nuclear materials. Because numerous isobaric overlaps restrict the direct determination of many fission products by mass spectrometry, extensive chemical separations are required for these elements. In order to simplify this sample preparation procedure, a high performance liquid chromatography system (HPLC) was online coupled to the mass spectrometer. Since about 10 years a quadrupole based ICP-MS (Q-ICP-MS) combined with an HPLC is used within the Hot Laboratory of the Paul Scherrer Institut for different applications on nuclear fuel samples. Since May 2003 also a new multi-collector ICP-MS (MC-ICP-MS) is used for the mass spectrometric characterisation of nuclear fuel samples, especially for the precise determination of the isotopic vectors of fission products and actinides. Therefore, two complementary analytical systems are now available in the group of 'Isotope and Wet Analytical Chemistry'. A comparison of the analytical performance of both systems (with and without an online coupled HPLC system) for the determination of the isotopic composition and the elemental concentration of different nuclides in nuclear fuel samples, the advantages and limitations of both techniques, the accuracy and precision of the results and typical applications for both methods will be discussed in the

Engineering Design of Electrostatic Quadrupole for ISOL Beam Lines

International Nuclear Information System (INIS)

Kim, H. S.; Kwon, H. J.; Cho, Y. S.

2014-01-01

In the ISOL system, the RI beam should be transported from the target ion source to post accelerator through various analyzing and charge-breeding systems such as PS (pre-seperator), HRMS (High Resolution Mass Seperator), RF cooler and A/q separator. A reference particle for the beam dynamics calculation is 132 Sn 1+ . After charge breeder system, the charge state is boosted from +1 to +19 with ECR charge breeder and to +33 with EBIS charge breeder. Because the beam energy is as low as 50 keV, the electrostatic optics was adopted rather than the magnetic optics. The electrostatic quadrupole triplets were used for the beam focusing and the electrostatic bender is used for 90-degree bending. In this paper, the design procedure and engineering design of the electrostatic quadrupole are presented

Quadrupole moment and a proton halo structure in 17F (Iπ = 5/2+)

International Nuclear Information System (INIS)

Zhou Dongmei; Zheng Yongnan; Yuan Daqing; Xizhen, Zhang; Zuo Yi; Minamisono, T; Matsuta, M; Fukuda, M; Mihara, M; Zhang Chunlei; Zhiqiang, Wang; Du Enpeng; Luo Hailong; Xu Guoji; Zhu Shengyun

2007-01-01

The quadrupole moment of light nuclei 17 F in the ground state (I π = 5/2 + ) is measured by the β-NMR method. The effective charge of the last proton in a d 5/2 orbit for 17 F is extracted from the measured quadrupole moment Q( 17 F) divided by the quadrupole moment Q sp calculated with a single particle model. A proton effective charge of e eff p = 1.12 ± 0.07e is obtained, which is in agreement with that given by a particle-vibration coupling model calculation within the experimental error. The present value of the proton effective charge is strong evidence for the existence of a proton skin in 17 F (I π = 5/2 + )

Characterization of ornidazole metabolites in human bile after intraveneous doses by ultraperformance liquid chromatography/quadrupole time-of-flight mass spectrometry

Directory of Open Access Journals (Sweden)

Jiangbo Du

2012-04-01

Full Text Available Ultraperformance liquid chromatography/quadrupole time-of-flight mass spectrometry (UPLC/Q-TOF MS was used to characterize ornidazole metabolites in human bile after intravenous doses. A liquid chromatography tandem mass spectrometry (LC–MS/MS assay was developed for the determination of the bile level of ornidazole. Bile samples, collected from four patients with T-tube drainage after biliary tract surgery, were prepared by protein precipitation with acetonitrile before analysis. A total of 12 metabolites, including 10 novel metabolites, were detected and characterized. The metabolites of ornidazole in human bile were the products of hydrochloride (HCl elimination, oxidative dechlorination, hydroxylation, sulfation, diastereoisomeric glucuronation, and substitution of NO2 or Cl atom by cysteine or N-acetylcysteine, and oxidative dechlorination followed by further carboxylation. The bile levels of ornidazole at 12 h after multiple intravenous infusions were well above its minimal inhibitory concentration for common strains of anaerobic bacteria.

Suspected-target pesticide screening using gas chromatography-quadrupole time-of-flight mass spectrometry with high resolution deconvolution and retention index/mass spectrum library.

Science.gov (United States)

Zhang, Fang; Wang, Haoyang; Zhang, Li; Zhang, Jing; Fan, Ruojing; Yu, Chongtian; Wang, Wenwen; Guo, Yinlong

2014-10-01

A strategy for suspected-target screening of pesticide residues in complicated matrices was exploited using gas chromatography in combination with hybrid quadrupole time-of-flight mass spectrometry (GC-QTOF MS). The screening workflow followed three key steps of, initial detection, preliminary identification, and final confirmation. The initial detection of components in a matrix was done by a high resolution mass spectrum deconvolution; the preliminary identification of suspected pesticides was based on a special retention index/mass spectrum (RI/MS) library that contained both the first-stage mass spectra (MS(1) spectra) and retention indices; and the final confirmation was accomplished by accurate mass measurements of representative ions with their response ratios from the MS(1) spectra or representative product ions from the second-stage mass spectra (MS(2) spectra). To evaluate the applicability of the workflow in real samples, three matrices of apple, spinach, and scallion, each spiked with 165 test pesticides in a set of concentrations, were selected as the models. The results showed that the use of high-resolution TOF enabled effective extractions of spectra from noisy chromatograms, which was based on a narrow mass window (5 mDa) and suspected-target compounds identified by the similarity match of deconvoluted full mass spectra and filtering of linear RIs. On average, over 74% of pesticides at 50 ng/mL could be identified using deconvolution and the RI/MS library. Over 80% of pesticides at 5 ng/mL or lower concentrations could be confirmed in each matrix using at least two representative ions with their response ratios from the MS(1) spectra. In addition, the application of product ion spectra was capable of confirming suspected pesticides with specificity for some pesticides in complicated matrices. In conclusion, GC-QTOF MS combined with the RI/MS library seems to be one of the most efficient tools for the analysis of suspected-target pesticide residues

Widely-targeted quantitative lipidomics methodology by supercritical fluid chromatography coupled with fast-scanning triple quadrupole mass spectrometry.

Science.gov (United States)

Takeda, Hiroaki; Izumi, Yoshihiro; Takahashi, Masatomo; Paxton, Thanai; Tamura, Shohei; Koike, Tomonari; Yu, Ying; Kato, Noriko; Nagase, Katsutoshi; Shiomi, Masashi; Bamba, Takeshi

2018-05-03

Lipidomics, the mass spectrometry-based comprehensive analysis of lipids, has attracted attention as an analytical approach to provide novel insight into lipid metabolism and to search for biomarkers. However, an ideal method for both comprehensive and quantitative analysis of lipids has not been fully developed. Herein, we have proposed a practical methodology for widely-targeted quantitative lipidome analysis using supercritical fluid chromatography fast-scanning triple-quadrupole mass spectrometry (SFC/QqQMS) and theoretically calculated a comprehensive lipid multiple reaction monitoring (MRM) library. Lipid classes can be separated by SFC with a normal phase diethylamine-bonded silica column with high-resolution, high-throughput, and good repeatability. Structural isomers of phospholipids can be monitored by mass spectrometric separation with fatty acyl-based MRM transitions. SFC/QqQMS analysis with an internal standard-dilution method offers quantitative information for both lipid class and individual lipid molecular species in the same lipid class. Additionally, data acquired using this method has advantages including reduction of misidentification and acceleration of data analysis. Using the SFC/QqQMS system, alteration of plasma lipid levels in myocardial infarction-prone rabbits to the supplementation of eicosapentaenoic acid was first observed. Our developed SFC/QqQMS method represents a potentially useful tool for in-depth studies focused on complex lipid metabolism and biomarker discovery. Published under license by The American Society for Biochemistry and Molecular Biology, Inc.

Assessment of benzophenone-4 reactivity with free chlorine by liquid chromatography quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Negreira, N; Rodríguez, I; Rodil, R; Cela, R

2012-09-19

The stability of the UV filter benzophenone-4 (BP-4) in free chlorine-containing water was investigated, for the first time, by liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QqTOF-MS). High mass accuracy and resolution capabilities of this hybrid mass spectrometer were used for the reliable assignation of empirical formulae and chemical structures of BP-4 derivatives. Time-course profiles of the parent compound and its by-products were simultaneously recorded by direct injection of sample aliquots, after quenching the excess of chlorine, in the LC-QqTOF-MS system. At neutral pHs, in excess of chlorine, BP-4 showed a limited stability fitting a pseudo-first-order degradation kinetics. A noticeable reduction in the half-lives of BP-4 was observed when increasing the sample pH between 6 and 8 units and also in presence of bromide traces. The reaction pathway of this UV filter involved a first electrophilic substitution of hydrogen per chlorine (or bromide) in the phenolic ring, followed by oxidation of the carbonyl moiety to an ester group, which induced a further electrophilic substitution in the same aromatic ring. Above reactions were also noticed when mixing a BP-4 containing personal care product with chlorinated tap water and in chlorinated swimming pool and sewage water, previously spiked with a BP-4 standard. Copyright © 2012 Elsevier B.V. All rights reserved.

Permanent quadrupole magnets

International Nuclear Information System (INIS)

Bush, E.D. Jr.

1976-01-01

A family of quadrupole magnets using a soft iron return yoke and circular cross-section permanent magnet poles were fabricated to investigate the feasibility for use in ion or electron beam focusing applications in accelerators and transport lines. Magnetic field measurements yielded promising results. In fixed-field applications, permanent magnets with sufficient gradients would be a low cost substitute for conventional electromagnets, eliminating the need for power supplies, associated wiring, and cooling. Based on preliminary tests, it was seen that permanent quadrupole magnets can offer a low cost, reliable solution in applications requiring small, fixed-field focusing devices for use in ion or electron-beam transport systems. Permanent magnets do require special considerations in design, fabrication, handling, and service that are different than encountered in conventional quadrupole magnets. If these basic conditions are satisfied, the resulting beam-focusing device would be stable, maintenance free, with virtually an indefinite lifetime

Quadrupole Time-of-Flight Mass Spectrometer

Data.gov (United States)

Federal Laboratory Consortium — FUNCTION: The system generates superior quality mass spectrometry (MS) and tandem mass spectrometry (MS/MS) data from both atmospheric pressure ionization (API) and...

Simultaneous determination of 3-monochloropropane-1,2-diol and acrylamide in food by gas chromatography-triple quadrupole mass spectrometry with coupled column separation.

Science.gov (United States)

Xu, Xiao-min; He, Hua-li; Zhu, Yan; Feng, Liang; Ying, Ying; Huang, Bai-fen; Shen, Hai-tao; Han, Jian-long; Ren, Yi-ping

2013-01-14

Both 3-monochloropropane-1,2-diol (3-MCPD) and acrylamide are contaminants found in heat-processed foods and their related products. A quantitative method was developed for the simultaneous determination of both contaminants in food by gas chromatography-triple quadrupole mass spectrometry (GC-MS/MS). The analytes were purified and extracted by the matrix solid-phase dispersion extraction (MSPDE) technique with Extrelut NT. A coupled column (a 3 m Innowax combined with a 30 m DB-5 ms) was developed to separate both compounds efficiently without derivatization. Triple quadrupole mass spectrometry in multiple reaction monitoring mode (MRM) was applied to suppress matrix interference and obtain good sensitivity in the determination of both analytes. The limit of detection (LOD) in the sample matrix was 5 μg kg(-1) for 3-MCPD or acrylamide. The average recoveries for 3-MCPD and acrylamide in different food matrices were 90.5-107% and 81.9-95.7%, respectively, with the intraday relative standard deviations (RSDs) of 5.6-13.5% and 5.3-13.4%, respectively. The interday RSDs were 6.1-12.6% for 3-MCPD and were 5.0-12.8% for acrylamide. Both contaminants were found in samples of bread, fried chips, fried instant noodles, soy sauce, and instant noodle flavoring. Neither 3-MCPD nor acrylamide was detected in the samples of dairy products (solid or liquid samples) and non-fried instant noodles. Copyright © 2012 Elsevier B.V. All rights reserved.

Skyrme's interaction beyond the mean-field. The DGCM+GOA Hamiltonian of nuclear quadrupole motion

International Nuclear Information System (INIS)

Kluepfel, Peter

2008-01-01

This work focuses on the microscopic description of nuclear collective quadrupole motion within the framework of the dynamic Generator-Coordinate-Method(DGCM)+Gaussian-Overlap-Approximation(GOA). Skyrme-type effective interactions are used as the fundamental many-particle interaction. Starting from a rotational invariant, polynomial and topologic consistent formulation of the GCM+GOA Hamiltonian an interpolation scheme for the collective masses and potential is developed. It allows to define the collective Hamiltonian of fully triaxial collective quadrupole dynamics from a purely axial symmetric configuration space. The substantial gain in performance allows the self-consistent evaluation of the dynamic quadrupole mass within the ATDHF-cranking model. This work presents the first large-scale analysis of quadrupole correlation energies and lowlying collective states within the DGCM+GOA model. Different Skyrme- and pairing interactions are compared from old standards up to more recent parameterizations. After checking the validity of several approximations to the DGCM+GOA model - both on the mean-field and the collective level - we proceed with a detailed investigation of correlation effects along the chains of semi-magic isotopes and isotones. This finally allows to define a set of observables which are hardly affected by collective correlations. Those observables were used for a refit of a Skyrme-type effective interaction which is expected to cure most of the problems of the recent parameterizations. Preparing further work, estimates for the correlated ground state energy are proposed which can be evaluated directly from the mean-field model. (orig.)

Skyrme's interaction beyond the mean-field. The DGCM+GOA Hamiltonian of nuclear quadrupole motion

Energy Technology Data Exchange (ETDEWEB)

Kluepfel, Peter

2008-07-29

This work focuses on the microscopic description of nuclear collective quadrupole motion within the framework of the dynamic Generator-Coordinate-Method(DGCM)+Gaussian-Overlap-Approximation(GOA). Skyrme-type effective interactions are used as the fundamental many-particle interaction. Starting from a rotational invariant, polynomial and topologic consistent formulation of the GCM+GOA Hamiltonian an interpolation scheme for the collective masses and potential is developed. It allows to define the collective Hamiltonian of fully triaxial collective quadrupole dynamics from a purely axial symmetric configuration space. The substantial gain in performance allows the self-consistent evaluation of the dynamic quadrupole mass within the ATDHF-cranking model. This work presents the first large-scale analysis of quadrupole correlation energies and lowlying collective states within the DGCM+GOA model. Different Skyrme- and pairing interactions are compared from old standards up to more recent parameterizations. After checking the validity of several approximations to the DGCM+GOA model - both on the mean-field and the collective level - we proceed with a detailed investigation of correlation effects along the chains of semi-magic isotopes and isotones. This finally allows to define a set of observables which are hardly affected by collective correlations. Those observables were used for a refit of a Skyrme-type effective interaction which is expected to cure most of the problems of the recent parameterizations. Preparing further work, estimates for the correlated ground state energy are proposed which can be evaluated directly from the mean-field model. (orig.)

A high excitation magnetic quadrupole lens quadruplet incorporating a single octupole lens for a low spherical aberration probe forming lens system

Science.gov (United States)

Dou, Yanxin; Jamieson, David N.; Liu, Jianli; Li, Liyi

2018-03-01

This paper describes the design of a new probe forming lens system consisting of a high excitation magnetic quadrupole lens quadruplet that incorporates a single magnetic octupole lens. This system achieves both a high demagnification and a low spherical aberration compared to conventional high excitation systems and is intended for deployment for the Harbin 300 MeV proton microprobe for applications in space science and ion beam therapy. This relative simplicity of the ion optical design to include a single octupole lens minimizes the risks associated with the constructional and operational precision usually needed for the probe forming lens system and this system could also be deployed in microprobe systems that operate with less magnetically rigid ions. The design of the new system is validated with reference to two independent ion optical computer codes.

Torques on quadrupoles

OpenAIRE

Torres del Castillo, G.F; Méndez Garrido, A

2006-01-01

Making use of the fact that a 2l-pole can be represented by means of l vectors of the same magnitude, the torque on a quadrupole in an inhomogeneous external field is expressed in terms of the vectors that represent the quadrupole and the gradient of the external field. The conditions for rotational equilibrium are also expressed in terms of these vectors. Haciendo uso de que un multipolo de orden 2l puede representarse mediante l vectores de la misma magnitud, la torca sobre un cuadripolo...

The quadrupole moments of some even–even nuclei around the mass of A ~ 80: {sup 68−80}Ge on the neighborhood of {sup 76−84}Kr and {sup 76−84}Se isotopes

Energy Technology Data Exchange (ETDEWEB)

Yoruk, Abdulkadir, E-mail: yorukabdulkadir@hotmail.com [Süleyman Demirel University, Nursery Medical School (Turkey); Turkan, Nureddin, E-mail: nureddin.turkan@medeniyet.edu.tr [Istanbul Medeniyet University, Faculty of Science (Turkey)

2016-09-15

We have carried out the calculation of the quadrupole moments Q(2{sub 1}{sup +}) and electromagnetic transition rates B(E2) of some levels within the framework of the interacting boson model for even-mass Ge nuclei. The presented predictions of the quadrupole moments and B(E2) ratios for Ge nuclei are compared with the results of some previous experimental and theoretical ones along with those of the neighboring Kr and Se isotopes and then it was seen that they agree well with the previous experimental and theoretical ones.

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.

Science.gov (United States)

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.

Performance of the LHC Arc Superconducting Quadrupoles Towards the End of their Series Fabrication

CERN Document Server

Tortschanoff, Theodor; Durante, M; Hagen, P; Klein, U; Krischel, D; Modena, M; Payn, A; Rossi, L; Sanfilippo, S; Schellong, B; Schirm, KM; Schmidt, P; Simon, F; Todesco, E; Wildner, E

2006-01-01

The fabrication of the 408 main arc quadrupole magnets and their cold masses will come to an end in summer 2006. A rich collection of measurement and test data has been accumulated and their analysis is presented in this paper. These data cover the fabrication and the efficiency in the use of the main components, the geometrical measurements and the achieved dimensional precision, the warm magnetic measurements in the factory and the performance at cold conditions, especially the training behaviour. The scrap rate of the Nb-Ti/Cu conductor as well as that of other components turned out to be acceptably low and the quench performance measured was in general very good. Most quadrupoles measured so far exceeded the operating field gradient with one or no quench. The multipole content at cold was measured for a limited number of quadrupoles in order to verify the warm-to-cold correlation. From the point of view of field quality, all quadrupoles could be accepted for the machine. The measures taken to overcome the...

Quadrupole moments of hadrons

International Nuclear Information System (INIS)

Krivoruchenko, M.I.

1985-01-01

In chiral bag model an expression is obtained for the quark wave functions with account of color and pion interaction of quarks. The quadrupole moments of nonstrange hadrons are calculated. Quadrupole moment of nucleon isobar is found to be Q(Δ)=-6.3x10 -28 esub(Δ)(cm)sup(2). Fredictions of the chiral bag model are in strong disagreement with the non-relativistic quark model

Laced permanent magnet quadrupole drift tube magnets

International Nuclear Information System (INIS)

Feinberg, B.; Behrsing, G.U.; Halbach, K.; Marks, J.S.; Morrison, M.E.; Nelson, D.H.

1988-10-01

A laced permanent magnet quadrupole drift tube magnet has been constructed for a proof-of-principle test. The magnet is a conventional tape-wound quadrupole electromagnet, using iron pole- pieces, with the addition of permanent magnet material (neodymium iron) between the poles to reduce the effects of saturation. The iron is preloaded with magnetic flux generated by the permanent magnet material, resulting in an asymmetrical saturation curve. Since the polarity of the quadrupole magnets in a drift tube linac is not reversed we can take advantage of this asymmetrical saturation to provide greater focusing strength. The magnet configuration has been optimized and the vanadium permendur poles needed in a conventional quadrupole have been replaced with iron poles. The use of permanent magnet material has allowed us to increase the focusing strength of the magnet by about 20% over that of a conventional tape-wound quadrupole. Comparisons will be made between this magnet and the conventional tape-wound quadrupole. 3 refs., 5 figs

First Test Results of the 150 mm Aperture IR Quadrupole Models for the High Luminosity LHC

CERN Document Server

Ambrosio, G; Wanderer, P; Ferracin, P; Sabbi, G

2017-01-01

The High Luminosity upgrade of the LHC at CERN will use large aperture (150 mm) quadrupole magnets to focus the beams at the interaction points. The high field in the coils requires Nb$_{3}$Sn superconductor technology, which has been brought to maturity by the LHC Accelerator Re-search Program (LARP) over the last 10 years. The key design targets for the new IR quadrupoles were established in 2012, and fabrication of model magnets started in 2014. This paper discusses the results from the first single short coil test and from the first short quadrupole model test. Remaining challenges and plans to address them are also presented and discussed.

First Test Results of the 150 mm Aperture IR Quadrupole Models for the High Luminosity LHC

Energy Technology Data Exchange (ETDEWEB)

Ambrosio, G. [Fermilab; Chlachidze, G. [Fermilab; Wanderer, P. [Brookhaven; Ferracin, P. [CERN; Sabbi, G. [LBNL, Berkeley

2016-10-06

The High Luminosity upgrade of the LHC at CERN will use large aperture (150 mm) quadrupole magnets to focus the beams at the interaction points. The high field in the coils requires Nb3Sn superconductor technology, which has been brought to maturity by the LHC Accelerator Re-search Program (LARP) over the last 10 years. The key design targets for the new IR quadrupoles were established in 2012, and fabrication of model magnets started in 2014. This paper discusses the results from the first single short coil test and from the first short quadrupole model test. Remaining challenges and plans to address them are also presented and discussed.

A radio frequency quadrupole ion beam buncher for ISOLTRAP

CERN Document Server

Bollen, G; Dezfuli, A M G; Henry, S; Herfurth, F; Kellerbauer, A G; Kim, T; Kluge, H J; Kohl, A; Lamour, E; Lunney, M D; Moore, R B; Quint, W; Schwarz, S; Varfalvy, P; Vermeeren, L

1998-01-01

ISOLTRAP is a Penning trap spectrometer at the on-line mass separator ISOLDE at CERN for the mass determination of radioisotopes. It consists of three electromagnetic traps in tandem; a Paul trap for ISOLDE beam collection, a Penning trap for cooling and purification and a high-precision Penning trap for the measurement of masses by cyclotron resonance. The Paul trap, which collects radionuclide ions using only electric fields and a noble buffer gas, has been essential for the masses of radionuclides that cannot be surface ionized. The success with this system has led to the present program to increase the collection efficiency by replacing the Paul trap by a radiofrequency quadrupole ion guide operating as a buncher. This system would also provide a DC ISOLDE beam of emittance approaching 1$\\pi$ -mm-mrad. (3 refs).

Classifying wine according to geographical origin via quadrupole-based ICP-mass spectrometry measurements of boron isotope ratios

Energy Technology Data Exchange (ETDEWEB)

Coetzee, Paul P. [University of Johannesburg, Department of Chemistry, Johannesburg (South Africa); Vanhaecke, Frank [Institute for Nuclear Sciences, Laboratory of Analytical Chemistry Ghent University, Ghent (Belgium)

2005-11-01

The potential of quadrupole-based ICP-MS as a tool for B-isotopic analysis of wines and its usefulness in provenance determinations were assessed. A precision of 0.1-0.25% RSD (corresponding to a relative standard deviation of the mean of three replicate measurements of 0.06-0.12%) was sufficient to establish small differences in the B isotope ratios in wines from different geographical origins. Each sample measurement was bracketed by measurements of a standard and mass bias drift correction made by interpolation. Sample preparation was kept to a minimum to avoid possible fractionation. Dilution of the wine samples by a factor of 100 with 0.65% HNO{sub 3} was found to reduce matrix-induced mass discrimination substantially. Wines from three wine-producing regions, Stellenbosch, Robertson, and Swartland, in the Western Cape Province of South Africa, and wines from specific regions in France (Bergerac) and Italy (Valpolicella) were analyzed by ICP-QMS for their B-isotopic compositions. It was concluded that the {sup 11}B/{sup 10}B ratios can be used to characterize wines from different geographical origins. Average {sup 11}B/{sup 10}B ratios in red wines from South Africa (Stellenbosch), France (Bergerac), and Italy (Valpolicella) were found to differ by between 0.5 and 1.5%. (orig.)

Classifying wine according to geographical origin via quadrupole-based ICP-mass spectrometry measurements of boron isotope ratios

International Nuclear Information System (INIS)

Coetzee, Paul P.; Vanhaecke, Frank

2005-01-01

The potential of quadrupole-based ICP-MS as a tool for B-isotopic analysis of wines and its usefulness in provenance determinations were assessed. A precision of 0.1-0.25% RSD (corresponding to a relative standard deviation of the mean of three replicate measurements of 0.06-0.12%) was sufficient to establish small differences in the B isotope ratios in wines from different geographical origins. Each sample measurement was bracketed by measurements of a standard and mass bias drift correction made by interpolation. Sample preparation was kept to a minimum to avoid possible fractionation. Dilution of the wine samples by a factor of 100 with 0.65% HNO 3 was found to reduce matrix-induced mass discrimination substantially. Wines from three wine-producing regions, Stellenbosch, Robertson, and Swartland, in the Western Cape Province of South Africa, and wines from specific regions in France (Bergerac) and Italy (Valpolicella) were analyzed by ICP-QMS for their B-isotopic compositions. It was concluded that the 11 B/ 10 B ratios can be used to characterize wines from different geographical origins. Average 11 B/ 10 B ratios in red wines from South Africa (Stellenbosch), France (Bergerac), and Italy (Valpolicella) were found to differ by between 0.5 and 1.5%. (orig.)

Chaotic motion in axially symmetric potentials with oblate quadrupole deformation

Energy Technology Data Exchange (ETDEWEB)

Letelier, Patricio S. [Departamento de Matematica Aplicada, IMECC, Universidade Estadual de Campinas, 13083-859, Campinas, SP (Brazil); Ramos-Caro, Javier, E-mail: javier@ime.unicamp.br [Departamento de Matematica Aplicada, IMECC, Universidade Estadual de Campinas, 13083-859, Campinas, SP (Brazil); Lopez-Suspes, Framsol, E-mail: framsol@gmail.com [Facultad de Telecomunicaciones, Universidad Santo Tomas and Escuela de Fisica, Universidad Industrial de Santander, Bucaramanga (Colombia)

2011-10-03

By computing the Poincare's surfaces of section and Lyapunov exponents, we study the effect of introducing an oblate quadrupole in the dynamics associated with two generic spherical potentials of physical interest: the central monopole and the isotropic harmonic oscillator. In the former case we find saddle points in the effective potential, in contrast to the statements presented by Gueron and Letelier in [E. Gueron, P.S. Letelier, Phys. Rev. E 63 (2001) 035201]. The results we show in the second case have application in nuclear or atomic physics. In particular, we find values of oblate deformation leading to a disappearance of shell structure in the single-particle spectrum. -- Highlights: → We find chaotic motion around a monopole with oblate quadrupole deformation. → This corrects the statements introduced in [E. Gueron, P.S. Letelier, Phys. Rev. E 63 (2001) 035201]. → We present an alternative model for the potential due to an oblate deformed nuclei. → This leads to stochastic regions in the phase space of classical orbits. → It suggests that the shell structure of single-particle spectrum tends to disappear.

Metabolites identification of harmane in vitro/in vivo in rats by ultra-performance liquid chromatography combined with electrospray ionization quadrupole time-of-flight tandem mass spectrometry.

Science.gov (United States)

Li, Shuping; Liu, Wei; Teng, Liang; Cheng, Xuemei; Wang, Zhengtao; Wang, Changhong

2014-04-01

Harmane, a β-carboline alkaloid with a wide spectrum of pharmacological activities, is naturally present in the human diet, in numerous foodstuffs and in hallucinogenic plants such as Peganum harmala, Banisteriopsis caapi and Tribulus terrestris. However, the precise metabolic fate of harmane remains unknown. In order to know whether harmane is extensively metabolized, a rapid and sensitive method using ultra-performance liquid chromatography combined with electrospray ionization quadrupole time-of-flight tandem mass spectrometry (UPLC/ESI-QTOF-MS) was used to analyze the metabolic profile of harmane in vitro and in vivo in rats. A total of 21 metabolites were identified from the rat liver microsomes and rat liver S9 (9), rat urine (11), feces (16), bile (16), and plasma (10) after a single oral administration of harmane using MetaboLynx™ and MassFragment ™ software tools. It indicated that the biliary and faecal clearance were the major excretion routes for harmane as well as its metabolites. The specific CLogP values combined with different acidic and alkaline mobile phase were helpful and useful for distinguishing N-oxidation and monohydroxylation metabolites. The metabolic transformation pathways of harmane included monohydroxylation, dihydroxylation, N-oxidation, O-glucuronide conjugation, O-sulphate conjugation, and glutathione conjugation. In conclusion, this study showed an insight into the metabolism of harmane. Copyright © 2014 Elsevier B.V. All rights reserved.

ANALYTICAL SOLUTIONS OF SINGULAR ISOTHERMAL QUADRUPOLE LENS

International Nuclear Information System (INIS)

Chu Zhe; Lin, W. P.; Yang Xiaofeng

2013-01-01

Using an analytical method, we study the singular isothermal quadrupole (SIQ) lens system, which is the simplest lens model that can produce four images. In this case, the radial mass distribution is in accord with the profile of the singular isothermal sphere lens, and the tangential distribution is given by adding a quadrupole on the monopole component. The basic properties of the SIQ lens have been studied in this Letter, including the deflection potential, deflection angle, magnification, critical curve, caustic, pseudo-caustic, and transition locus. Analytical solutions of the image positions and magnifications for the source on axes are derived. We find that naked cusps will appear when the relative intensity k of quadrupole to monopole is larger than 0.6. According to the magnification invariant theory of the SIQ lens, the sum of the signed magnifications of the four images should be equal to unity, as found by Dalal. However, if a source lies in the naked cusp, the summed magnification of the left three images is smaller than the invariant 1. With this simple lens system, we study the situations where a point source infinitely approaches a cusp or a fold. The sum of the magnifications of the cusp image triplet is usually not equal to 0, and it is usually positive for major cusps while negative for minor cusps. Similarly, the sum of magnifications of the fold image pair is usually not equal to 0 either. Nevertheless, the cusp and fold relations are still equal to 0 in that the sum values are divided by infinite absolute magnifications by definition.

Quench protection of the LHC inner triplet quadrupoles built at Fermilab

CERN Document Server

Bauer, P; Chiesa, L; Di Marco, J; Fehér, S; Lamm, M J; McInturff, A D; Nobrega, A; Orris, D; Tartaglia, M; Tompkins, J C; Zlobin, A V

2001-01-01

High gradient quadrupoles are being developed by the US-LHC Accelerator project for the LHC interaction region inner triplets. These 5.5 m long magnets have a single 70 mm aperture and operate in superfluid helium at a peak gradient of 215 T/m. Through the construction and test of eight 2 meter long model quadrupoles, strip heaters of various geometries and insulation thicknesses have proven to be effective in protecting the magnets from excessively high coil temperatures and coil voltages to ground. This paper reports on the results of the model program to optimize the heater performance within the context of the LHC inner triplet electrical power and quench detection scheme. (6 refs).

Determination of Grayanotoxins from Rhododendron brachycarpum in Dietary Supplements and Homemade Wine by Liquid Chromatography-Quadrupole Time-of-Flight-Mass Spectrometry and Liquid Chromatography-Tandem Mass Spectrometry.

Science.gov (United States)

Hwang, Taeik; Noh, Eunyoung; Jeong, Ji Hye; Park, Sung-Kwan; Shin, Dongwoo; Kang, Hoil

2018-02-28

A sensitive and specific high-performance liquid chromatography-quadrupole time-of-flight-mass spectrometry (LC-QTOF-MS) method combined with liquid chromatography-tandem mass spectrometry (LC-MS/MS) was developed for the determination of grayanotoxins I and III in dietary supplements and homemade wine. Grayanotoxins I and III were successfully extracted using solid-phase extraction cartridges, characterized by LC-QTOF-MS, and quantitated by LC-MS/MS. The LC-MS/MS calibration curves were linear over concentrations of 10-100 ng/mL (grayanotoxin I) and 20-400 ng/mL (grayanotoxin III). Grayanotoxins I and III were found in 51 foodstuffs, with quantitative determinations revealing total toxin concentrations of 18.4-101 000 ng/mL (grayanotoxin I) and 15.3-56 000 ng/mL (grayanotoxin III). The potential of the validated method was demonstrated by successful quantitative analysis of grayanotoxins I and III in dietary supplements and homemade wine; the method appears suitable for the routine detection of grayanotoxins I and III from Rhododendron brachycarpum.

Scheme to funnel ion beams with a radio-frequency quadrupole

International Nuclear Information System (INIS)

Stokes, R.H.; Minerbo, G.N.

1985-01-01

We describe a proposed method to funnel ion beams using a new form of the radio-frequency quadrupole (RFQ) structure. This RFQ accepts two bunched ion beams and combines them into a single final beam with interlaced microstructure pulses. It also provides uninterrupted periodic transverse focusing to facilitate the funneling of beams with high current and low emittance

The monopole and quadrupole vibrations of a hot nucleus

International Nuclear Information System (INIS)

Okolowicz, J.; Drozdz, S.; Ploszajczak, M.; Caurier, E.

1989-03-01

An extended time-dependent Hartree-Fock approach has been applied to a description of the isoscalar giant monopole and quadrupole vibration modes in the excited nuclear system at finite temperature. The temperature dependence of the resonance characteristics is established for both modes. In anticipation of some anharmonic effects the principle of regularity and single-valuedness has been used to extract the energies of the collective modes. (orig.)

Investigation of cannabis biomarkers and transformation products in waters by liquid chromatography coupled to time of flight and triple quadrupole mass spectrometry.

Science.gov (United States)

Boix, Clara; Ibáñez, María; Bijlsma, Lubertus; Sancho, Juan V; Hernández, Félix

2014-03-01

11-Nor-9-carboxy-Δ(9)-tetrahydrocannabinol (THC-COOH) is commonly selected as biomarker for the investigation of cannabis consumption through wastewater analysis. The removal efficiency of THC-COOH in wastewater treatment plants (WWTPs) has been reported to vary between 31% and 98%. Accordingly, possible transformation products (TPs) of this metabolite might be formed during treatment processes or in receiving surface water under environmental conditions. In this work, surface water was spiked with THC-COOH and subjected to hydrolysis, chlorination and photo-degradation (both ultraviolet and simulated sunlight) experiments under laboratory-controlled conditions. One hydrolysis, eight chlorination, three ultraviolet photo-degradation and seven sunlight photo-degradation TPs were tentatively identified by liquid chromatography coupled to quadrupole time-of-flight mass spectrometer (LC-QTOF MS). In a subsequent step, THC-COOH and the identified TPs were searched in wastewater samples using LC coupled to tandem mass spectrometry (LC-MS/MS) with triple quadrupole. THC-COOH was found in all influent and effluent wastewater samples analyzed, although at significant lower concentrations in the effluent samples. The removal efficiency of WWTP under study was approximately 86%. Furthermore, THC-COOH was also investigated in several surface waters, and it was detected in 50% of the samples analyzed. Regarding TPs, none were found in influent wastewater, while one hydrolysis and five photo-degradation (simulated sunlight) TPs were detected in effluent and surface waters. The most detected compound, resulting from sunlight photo-degradation, was found in 60% of surface waters analyzed. This fact illustrates the importance of investigating these TPs in the aquatic environment. Copyright © 2013 Elsevier Ltd. All rights reserved.

Rapid determination of {sup 135}Cs and precise {sup 135}Cs/{sup 137}Cs atomic ratio in environmental samples by single-column chromatography coupled to triple-quadrupole inductively coupled plasma-mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Yang, Guosheng [Department of Radiation Chemistry, Institute of Radiation Emergency Medicine, Hirosaki University, 66-1 Hon-cho, Hirosaki, Aomori 036-8564 (Japan); Division of Nuclear Technology and Applications, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Beijing Engineering Research Center of Radiographic Techniques and Equipment, Beijing 100049 (China); Tazoe, Hirofumi [Department of Radiation Chemistry, Institute of Radiation Emergency Medicine, Hirosaki University, 66-1 Hon-cho, Hirosaki, Aomori 036-8564 (Japan); Yamada, Masatoshi, E-mail: myamada@hirosaki-u.ac.jp [Department of Radiation Chemistry, Institute of Radiation Emergency Medicine, Hirosaki University, 66-1 Hon-cho, Hirosaki, Aomori 036-8564 (Japan)

2016-02-18

For source identification, measurement of {sup 135}Cs/{sup 137}Cs atomic ratio not only provides information apart from the detection of {sup 134}Cs and {sup 137}Cs, but it can also overcome the application limit that measurement of the {sup 134}Cs/{sup 137}Cs ratio has due to the short half-life of {sup 134}Cs (2.06 y). With the recent advancement of ICP-MS, it is necessary to improve the corresponding separation method for rapid and precise {sup 135}Cs/{sup 137}Cs atomic ratio analysis. A novel separation and purification technique was developed for the new generation of triple-quadrupole inductively coupled plasma-mass spectrometry (ICP-MS/MS). The simple chemical separation, incorporating ammonium molybdophosphate selective adsorption of Cs and subsequent single cation-exchange chromatography, removes the majority of isobaric and polyatomic interference elements. Subsequently, the ICP-MS/MS removes residual interference elements and eliminates the peak tailing effect of stable {sup 133}Cs, at m/z 134, 135, and 137. The developed analytical method was successfully applied to measure {sup 135}Cs/{sup 137}Cs atomic ratios and {sup 135}Cs activities in environmental samples (soil and sediment) for radiocesium source identification. - Highlights: • A simple {sup 135}Cs/{sup 137}Cs analytical method was developed. • The separation procedure was based on AMP adsorption and one column chromatography. • {sup 135}Cs/{sup 137}Cs was measured by ICP-MS/MS. • Decontamination factors for Ba, Mo, Sb, and Sn were improved. • {sup 135}Cs/{sup 137}Cs atomic ratios of 0.341–0.351 were found in Japanese soil samples.

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

Science.gov (United States)

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.

Identification of berberrubine metabolites in rats by using ultra-high performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Wang, Kun; Qiao, Miao; Chai, Liwei; Cao, Shijie; Feng, Xinchi; Ding, Liqin; Qiu, Feng

2018-01-01

Berberrubine, an isoquinoline alkaloid isolated from many medicinal plants, possesses diverse pharmacological activities, including glucose-lowering, lipid-lowering, anti-inflammatory, and anti-tumor effects. This study aimed to investigate the metabolic profile of berberrubine in vivo. Therefore, a rapid and reliable method using the ultra-high performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) and metabolynx™ software with mass defect filter (MDF) technique was developed. Plasma, bile, urine and feces samples were collected from rats after oral administration of berberrubine with a dose of 30.0mg/kg and analyzed to characterize the metabolites of berberrubine in vivo for the first time. A total of 57 metabolites were identified, including 54 metabolites in urine, 39 metabolites in plasma, 28 metabolites in bile and 18 metabolites in feces. The results indicated that demethylenation, reduction, hydroxylation, demethylation, glucuronidation, and sulfation were the major metabolic pathways of berberrubine in vivo. Copyright © 2017 Elsevier B.V. All rights reserved.

Electric quadrupole moments of {beta}-emitter {sup 21}F and {sup 23}Mg

Energy Technology Data Exchange (ETDEWEB)

Onishi, Takashi; Matsuta, Kensaku; Fukuda, Mitsunori [Osaka Univ., Toyonaka (Japan). Faculty of Science] [and others

1997-03-01

For the systematic study of nuclear electromagnetic moments, electric quadrupole moments Q of {beta}-emitting nuclei {sup 21}F and {sup 23}Mg have been measured for the first time through combined technique of the polarized nuclear beams and {beta}-NMR technique. From the quadrupole coupling constants of {sup 21}F and {sup 23}Mg in MgF{sub 2} single crystal, the ratios of the Q`s with the known Q were determined as |Q({sup 21}F)|/|Q({sup 19}F{sup *})|=1.001{+-}0.034 and |Q({sup 23}Mg)|/|Q({sup 25}Mg)|=0.571{+-}0.017. (author)

Characterization and quantitative analysis of surfactants in textile wastewater by liquid chromatography/quadrupole-time-of-flight mass spectrometry.

Science.gov (United States)

González, Susana; Petrović, Mira; Radetic, Maja; Jovancic, Petar; Ilic, Vesna; Barceló, Damià

2008-05-01

A method based on the application of ultra-performance liquid chromatography (UPLC) coupled to hybrid quadrupole-time-of-flight mass spectrometry (QqTOF-MS) with an electrospray (ESI) interface has been developed for the screening and confirmation of several anionic and non-ionic surfactants: linear alkylbenzenesulfonates (LAS), alkylsulfate (AS), alkylethersulfate (AES), dihexyl sulfosuccinate (DHSS), alcohol ethoxylates (AEOs), coconut diethanolamide (CDEA), nonylphenol ethoxylates (NPEOs), and their degradation products (nonylphenol carboxylate (NPEC), octylphenol carboxylate (OPEC), 4-nonylphenol (NP), 4-octylphenol (OP) and NPEO sulfate (NPEO-SO4). The developed methodology permits reliable quantification combined with a high accuracy confirmation based on the accurate mass of the (de)protonated molecules in the TOFMS mode. For further confirmation of the identity of the detected compounds the QqTOF mode was used. Accurate masses of product ions obtained by performing collision-induced dissociation (CID) of the (de)protonated molecules of parent compounds were matched with the ions obtained for a standard solution. The method was applied for the quantitative analysis and high accuracy confirmation of surfactants in complex mixtures in effluents from the textile industry. Positive identification of the target compounds was based on accurate mass measurement of the base peak, at least one product ion and the LC retention time of the analyte compared with that of a standard. The most frequently surfactants found in these textile effluents were NPEO and NPEO-SO4 in concentrations ranging from 0.93 to 5.68 mg/L for NPEO and 0.06 to 4.30 mg/L for NPEO-SO4. AEOs were also identified.

Analysis of additives in dairy products by liquid chromatography coupled to quadrupole-orbitrap mass spectrometry.

Science.gov (United States)

Jia, Wei; Ling, Yun; Lin, Yuanhui; Chang, James; Chu, Xiaogang

2014-04-04

A new method combining QuEChERS with ultrahigh-performance liquid chromatography and electrospray ionization quadrupole Orbitrap high-resolution mass spectrometry (UHPLC/ESI Q-Orbitrap) was developed for the highly accurate and sensitive screening of 43 antioxidants, preservatives and synthetic sweeteners in dairy products. Response surface methodology was employed to optimize a quick, easy, cheap, effective, rugged, and safe (QuEChERS) sample preparation method for the determination of 42 different analytes in dairy products for the first time. After optimization, the maximum predicted recovery was 99.33% rate for aspartame under the optimized conditions of 10 mL acetionitrile, 1.52 g sodium acetate, 410 mg PSA and 404 mgC18. For the matrices studied, the recovery rates of the other 42 compounds ranged from 89.4% to 108.2%, with coefficient of variation 0.999. The limits of detection for the analytes are in the range 0.0001-3.6 μg kg(-1). This method has been successfully applied on screening of antioxidants, preservatives and synthetic sweeteners in commercial dairy product samples, and it is very useful for fast screening of different food additives. Copyright © 2014 Elsevier B.V. All rights reserved.

LHC interaction region quadrupole cryostat design

International Nuclear Information System (INIS)

Nicol, T.H.; Darve, Ch.; Huang, Y.; Page, T.M.

2002-01-01

The cryostat of a Large Hadron Collider (LHC) Interaction Region (IR) quadrupole magnet consists of all components of the inner triplet except the magnet assembly itself. It serves to support the magnet accurately and reliably within the vacuum vessel, to house all required cryogenic piping, and to insulate the cold mass from heat radiated and conducted from the environment. It must function reliably during storage, shipping and handling, normal magnet operation, quenches, and seismic excitations, and must be able to be manufactured at low cost. The major components of the cryostat are the vacuum vessel, thermal shield, multi-layer insulation system, cryogenic piping, and suspension system. The overall design of a cryostat for superconducting accelerator magnets requires consideration of fluid flow, proper selection of materials for their thermal and structural performance at both ambient and operating temperature, and knowledge of the environment to which the magnets will be subjected over the course of their expected operating lifetime. This paper describes the current LHC IR inner triplet quadrupole magnet cryostats being designed and manufactured at Fermilab as part of the US-LHC collaboration, and includes discussions on the structural and thermal considerations involved in the development of each of the major systems

Three-dimensional quadrupole lenses made with permanent magnets

International Nuclear Information System (INIS)

Ivanov, A.S.

1984-01-01

The performance of accelerator systems with quadrupole magnets can be improved by using permanent magnets in quadrupole lenses. This requires better methods for treating the three-dimensional nature of the magnetic fields and the nonlinear characteristics of the magnets. A numerical method is described for simulating three-dimensional magnetic fields and used to analyze quadrupole lenses and doublets with permanent magnets. The results, which are confirmed experimentally, indicate that both the quadrupole magnetic gradient and the effective field length are changed in permanent-magnet quadrupole lenses when the pole lengths and the gap between the lenses are varied while the other characteristics of the magnets remain unchanged

The effect and correction of coupling generated by the RHIC triplet quadrupoles

International Nuclear Information System (INIS)

Pilat, F.; Peggs, S.; Tepikian, S.; Trbojevic, D.; Wei, J.

1995-01-01

This study explores the possibility of operating the nominal RHIC coupling correction system in local decoupling mode, where a subset of skew quadrupoles are independently set by minimizing the coupling as locally measured by beam position monitors. The goal is to establish a correction procedure for the skew quadrupole errors in the interaction region triplets that does not rely on a priori knowledge of the individual errors. After a description of the present coupling correction scheme envisioned for RHIC, the basics of the local decoupling method will be briefly recalled in the context of its implementation in the TEAPOT simulation code as well as operationally. The method is then applied to the RHIC lattice: a series of simple tests establish that single triplet skew quadrupole errors can be corrected by local decoupling. More realistic correction schemes are then studied in order to correct distributed sources of skew quadrupole errors: the machine can be decoupled either by pure local decoupling or by a combination of global (minimum tune separation) and local decoupling. The different correction schemes are successively validated and evaluated by standard RHIC simulation runs with the complete set of errors and corrections. The different solutions and results are finally discussed together with their implications for the hardware

Quadrupole Moments And Gamma Deformation Of Wobbling Excitations In 163Ln

International Nuclear Information System (INIS)

Goergen, A.; Hagemann, G.B.; Sletten, G.; Hamamoto, I.; Bengtsson, R.; Clark, R.M.; Cromaz, M.; Fallon, P.; Lee, I.Y.; Macchiavelli, A.O.; Ward, D.; Huebel, H.

2005-01-01

Wobbling is an excitation mode unique to triaxial nuclei. Even though it is a general consequence of triaxiality in nuclei, it has so far only been observed in the odd-mass Lu isotopes around 163Lu. The principal evidence for the wobbling mode is based on the pattern of rotational bands characterized and described by a wobbling phonon number and the decay between different bands belonging to the same family. A new measurement revealed lifetimes of states in an excited wobbling band for the first time and gave access to absolute transition probabilities for both in-band and interband transitions. A general recipe how to derive quadrupole moments for triaxial nuclei from experimental data is discussed. The results show a remarkable similarity of the quadrupole moments for the different bands, further supporting the wobbling scenario. A decrease of the quadrupole moments is observed with increasing spin. This is attributed to an increase in triaxiality with spin, which can at the same time explain the dependence of the interband transitions on spin. Such an increase in triaxiality is qualitatively reproduced by cranking calculations to which the experimental results are compared

Design of an electrostatic magnetic quadrupole accelerator

International Nuclear Information System (INIS)

Mizuno, M.; Ohara, Y.

1993-01-01

A new type of electrostatic acceleration system, electrostatic magnetic quadrupole (ESMQ) acceleration system, is proposed for efficient acceleration of negative ion beams. In this system, permanent magnets are buried in the acceleration electrodes so as to produce a quadrupole magnetic field in the electrode aperture region. Envelope simulation indicates that the quadrupole field can deflect electrons stripped from the negative ions. Beam envelope simulations for deuterium ions and electrons have been carried out using the beam envelope code TRACE. Electrons are largely divergent and most appear likely to hit downstream electrodes. Furthermore, maximum beam divergence of the deuterium ions is reduced to the focusing effect of the quadrupole magnetic field

Metabolomic approaches for orange origin discrimination by ultra-high performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Díaz, Ramon; Pozo, Oscar J; Sancho, Juan V; Hernández, Félix

2014-08-15

In this work, hybrid quadrupole time-of-flight mass spectrometer (QTOF MS) coupled to ultra high performance liquid chromatography (UHPLC) has been used for biomarkers identification for correct authentication of Valencia (Spain) oranges. Differentiation from foreign Argentinean, Brazilian and South African oranges has been carried out using XCMS application and multivariate analysis to UHPLC-(Q)TOF MS data acquired in both, positive and negative ionisation modes. Several markers have been found and corroborated by analysing two seasons samples. A seasonal independent marker was found and its structure elucidated using accurate mass data and MS(E) fragmentation spectrum information. Empirical formula was searched in Reaxys database applying sub-structure filtering from the fragments obtained. Three possible structures were found and citrusin D, a compound present in sweet oranges, has been identified as the most plausible as it fits better with the product ion scan performed for this compound. As a result of data obtained in this work, citrusin D is suggested as a potential marker to distinguish the geographic origin of oranges. Copyright © 2014 Elsevier Ltd. All rights reserved.

High gradient superconducting quadrupoles

International Nuclear Information System (INIS)

Lundy, R.A.; Brown, B.C.; Carson, J.A.; Fisk, H.E.; Hanft, R.H.; Mantsch, P.M.; McInturff, A.D.; Remsbottom, R.H.

1987-07-01

Prototype superconducting quadrupoles with a 5 cm aperture and gradient of 16 kG/cm have been built and tested as candidate magnets for the final focus at SLC. The magnets are made from NbTi Tevatron style cable with 10 inner and 14 outer turns per quadrant. Quench performance and multipole data are presented. Design and data for a low current, high gradient quadrupole, similar in cross section but wound with a cable consisting of five insulated conductors are also discussed

Electrostatic quadrupoles for heavy-ion fusion

International Nuclear Information System (INIS)

Seidl, P.; Faltens, A.

1993-05-01

Voltage-holding data for three quadrupole electrode sizes and inter-electrode spacings are reported. The dependence of the breakdown voltage on system size and its influence on the optimum quadrupole size for beam transport in a multiple beam array are discussed

Ultra high performance liquid chromatography coupled with electrospray ionization/quadrupole time-of-flight mass spectrometry for the rapid analysis of constituents in the traditional Chinese medicine formula Wu Ji Bai Feng Pill.

Science.gov (United States)

Duan, Shengnan; Qi, Wen; Zhang, Siwen; Huang, Kunkun; Yuan, Dan

2017-10-01

An ultra high performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry method in both positive and negative ion modes was established in order to comprehensively investigate the major constituents in Wu Ji Bai Feng Pill. Briefly, a Waters ACQUITY UPLC HSS C 18 column was used to separate the aqueous extract of Wu Ji Bai Feng Pill. A total of 0.1% formic acid in acetonitrile and 0.1% aqueous formic acid v/v were used as the mobile phase. All analytes were determined using quadrupole time-of-flight mass spectrometry with electrospray ionization source in positive and negative ion modes. At length, a total of 173 components including flavones and their glycosides, monoterpene glycosides, triterpene saponins, phenethylalchohol glycosides, iridoid glycosides, phthalides, tanshinones, phenolic acids, sesquiterpenoids and cyclopeptides were identified or tentatively characterized in Wu Ji Bai Feng Pill in an analysis of 16.0 min based on the accurate mass and tandem mass spectrometry behaviors. The developed method is rapid and highly sensitive to characterize the chemical constituents of Wu Ji Bai Feng Pill, which could not only be used for chemical standardization and quality control of Wu Ji Bai Feng Pill, but also be helpful for further study in vivo metabolism of Wu Ji Bai Feng Pill. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Skyrme's interaction beyond the mean-field. The DGCM+GOA Hamiltonian of nuclear quadrupole motion

Energy Technology Data Exchange (ETDEWEB)

Kluepfel, Peter

2008-07-29

This work focuses on the microscopic description of nuclear collective quadrupole motion within the framework of the dynamic Generator-Coordinate-Method(DGCM)+Gaussian-Overlap-Approximation(GOA). Skyrme-type effective interactions are used as the fundamental many-particle interaction. Starting from a rotational invariant, polynomial and topologic consistent formulation of the GCM+GOA Hamiltonian an interpolation scheme for the collective masses and potential is developed. It allows to define the collective Hamiltonian of fully triaxial collective quadrupole dynamics from a purely axial symmetric configuration space. The substantial gain in performance allows the self-consistent evaluation of the dynamic quadrupole mass within the ATDHF-cranking model. This work presents the first large-scale analysis of quadrupole correlation energies and lowlying collective states within the DGCM+GOA model. Different Skyrme- and pairing interactions are compared from old standards up to more recent parameterizations. After checking the validity of several approximations to the DGCM+GOA model - both on the mean-field and the collective level - we proceed with a detailed investigation of correlation effects along the chains of semi-magic isotopes and isotones. This finally allows to define a set of observables which are hardly affected by collective correlations. Those observables were used for a refit of a Skyrme-type effective interaction which is expected to cure most of the problems of the recent parameterizations. Preparing further work, estimates for the correlated ground state energy are proposed which can be evaluated directly from the mean-field model. (orig.)

New Potential Biomarker for Methasterone Misuse in Human Urine by Liquid Chromatography Quadrupole Time of Flight Mass Spectrometry.

Science.gov (United States)

Zhang, Jianli; Lu, Jianghai; Wu, Yun; Wang, Xiaobing; Xu, Youxuan; Zhang, Yinong; Wang, Yan

2016-09-24

In this study, methasterone urinary metabolic profiles were investigated by liquid chromatography quadrupole time of flight mass spectrometry (LC-QTOF-MS) in full scan and targeted MS/MS modes with accurate mass measurement. A healthy male volunteer was asked to take the drug and liquid-liquid extraction was employed to process urine samples. Chromatographic peaks for potential metabolites were hunted out with the theoretical [M - H](-) as a target ion in a full scan experiment and actual deprotonated ions were studied in targeted MS/MS experiment. Fifteen metabolites including two new sulfates (S1 and S2), three glucuronide conjugates (G2, G6 and G7), and three free metabolites (M2, M4 and M6) were detected for methasterone. Three metabolites involving G4, G5 and M5 were obtained for the first time in human urine samples. Owing to the absence of helpful fragments to elucidate the steroid ring structure of methasterone phase II metabolites, gas chromatography mass spectrometry (GC-MS) was employed to obtain structural information of the trimethylsilylated phase I metabolite released after enzymatic hydrolysis and the potential structure was inferred using a combined MS method. Metabolite detection times were also analyzed and G2 (18-nor-17β-hydroxymethyl-2α, 17α-dimethyl-androst-13-en-3α-ol-ξ-O-glucuronide) was thought to be new potential biomarker for methasterone misuse which can be detected up to 10 days.

Identification of metabolites of vindoline in rats using ultra-high performance liquid chromatography/quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Zhang, Yuqian; Sun, Yupeng; Mu, Xiyan; Yuan, Lin; Wang, Qiao; Zhang, Lantong

2017-08-15

Vindoline (VDL) is an indole alkaloid, possessing hypoglycemic and vasodilator effects, and it is also the prodrug of many vinca alkaloids. In this paper, we analyzed in vivo (including plasma, urine, bile and faeces) and in vitro metabolic profile of VDL in rat with ultra-high performance liquid chromatography/quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS/MS). The chromatographic separation was performed on a C 18 column with a mobile phase consisted of 3mM ammonium acetate buffer and acetonitrile at a flow rate of 300μL/min. The mass spectral analysis was conducted in a positive electrospray ionization mode, and on-line data acquisition method multiple mass defect filter (MMDF) combined with dynamic background subtraction (DBS) were used in the biological samples analysis to trace all the potential metabolites of VDL. Twenty-five metabolites of VDL were detected by comparing with the blank sample, of which there were 2 sulfate conjugates. These data suggested that the biotransformation of VDL was deacetylation, oxidation, deoxidization, methylation, dealkylation and sulfate conjugation. This study provides useful information for further study of the pharmacology and mechanism of VDL, meanwhile, the research method can be widely applied to speculate structural features of the metabolites of other vinca alkaloids. Copyright © 2017 Elsevier B.V. All rights reserved.

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

Science.gov (United States)

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.

LEMS: application of the method to study the static quadrupole moment of the K=35/2 isomer in 179W

International Nuclear Information System (INIS)

Neyens, G.; Vyvey, K.; Byrne, A.P.; Dracoulis, G.D.; Blaha, P.

1997-01-01

The method of the level mixing spectroscopy (LEMS) was applied for the first time for the study of the static quadrupole moments of high-K isomers in the A∼180 mass region. Results from a preliminary experiment for the static quadrupole moment of the 35/2 - (750 ns) isomer in 179 W give a limit for its upper value Q 2 <0.343. (orig.). With 1 fig

Rapid determination of 18 glucocorticoids in serum using reusable on-line SPE polymeric monolithic column coupled with LC-quadrupole/orbitrap high-resolution mass spectrometer.

Science.gov (United States)

Li, Hui; Ai, Lianfeng; Fan, Sufang; Wang, Yan; Sun, Dianxing

2017-10-15

A simple, rapid and sensitive method for the simultaneous determination of 18 glucocorticoids in serum was developed by coupling on-line solid-phase extraction (SPE) polymeric monolithic column to a liquid chromatography-quadrupole/orbitrap high-resolution mass spectrometer. A simple poly(ethylene glycol dimethacrylate) monolith column (10mm×2.1mm i.d.) was fabricated, and the morphology, surface area and extraction performance of the monolithic column were characterized. Serum samples were extracted by acetonitrile (ACN). Then, online SPE was achieved on the synthesized monolithic column using a 10mmol/L ammonium acetate solution as the loading solvent. After the transfer from the monolith into analytical column (Capcell Pak ADME column) using ACN, the adsorbed analytes were separated on the analytical column and detected with a high-resolution hybrid quadrupole/orbitrap mass spectrometer with full scan/ddMS 2 scan mode Under optimized conditions, the method was linear with target linear correlation coefficient (R 2 ) higher than 0.995. Detection limits were in range of 0.1-0.6ng/mL, and the quantification limits were 0.3-1.5ng/mL. The recovery was between 71.9% and 89.2% in three spike levels with precision (n=5) of 5.40-12.1%. The serum sample was directly analyzed after a simple extraction procedure, and the on-line SPE and determination were achieved within only 16min. The method was used to analyze the dynamic contents variation of cortisone and hydrocortisone in serum before and after the surgery. Copyright © 2017 Elsevier B.V. All rights reserved.

Evaluating the accuracy of uranium isotope amount ratio measurements performed by a quadrupole and a multi-collector magnetic sector inductively coupled plasma mass spectrometers for nuclear safeguards

International Nuclear Information System (INIS)

Pereira de Oliveira, O. Jr.; Sarkis, J.E.S.; Ponzevera, E.; Alonso, A.; De Bolle, W.; Quetel, C.

2008-01-01

The n(U 235 )/n(U 238 ) isotope amount ratio in a set of samples was measured using two modern analytical techniques: quadrupole inductively coupled plasma mass spectrometry (ICP-QMS) and multi-collector magnetic sector inductively coupled plasma mass spectrometry (MC-ICPMS). The measured ratios were compared to the certified ratios provided by the high accuracy gas source mass spectrometry (GSMS). The components of the uncertainty were identified and their contribution to the combined standard uncertainty was estimated using the recommendations of the ISO-GUM guide. The values of the measurement uncertainty and bias were determined and then compared to the International Target Values for Measurement Uncertainties in Safeguarding Nuclear Materials. It appears that only the measurements performed by MC-ICPMS can meet the stringent requirements of international nuclear safeguards. (authors)

A strong focussing cylindrical electrostatic quadrupole

International Nuclear Information System (INIS)

Sheng Yaochang

1986-01-01

The construction and performance of small cylindrical electrostatic quadrupole, which is installed in JM-400 pulse electrostatic accelerator, are described. This electrostatic quadrupole is not only used in neutron generator, but also suitable for ion injector as well as for low energy electron accelerator

Communication: General variational approach to nuclear-quadrupole coupling in rovibrational spectra of polyatomic molecules

Science.gov (United States)

Yachmenev, Andrey; Küpper, Jochen

2017-10-01

A general algorithm for computing the quadrupole-hyperfine effects in the rovibrational spectra of polyatomic molecules is presented for the case of ammonia (NH3). The method extends the general variational approach TROVE [J. Mol. Spectrosc. 245, 126-140 (2007)] by adding the extra term in the Hamiltonian that describes the nuclear quadrupole coupling, with no inherent limitation on the number of quadrupolar nuclei in a molecule. We applied the new approach to compute the nitrogen-nuclear-quadrupole hyperfine structure in the rovibrational spectrum of NH143. These results agree very well with recent experimental spectroscopic data for the pure rotational transitions in the ground vibrational and ν2 states and the rovibrational transitions in the ν1, ν3, 2ν4, and ν1 + ν3 bands. The computed hyperfine-resolved rovibrational spectrum of ammonia will be beneficial for the assignment of experimental rovibrational spectra, further detection of ammonia in interstellar space, and studies of the proton-to-electron mass variation.

Measurement of the quadrupole moments of the strongly deformed nuclei 18173Ta108 and 18375Re108 by hyperfine interaction in metals

International Nuclear Information System (INIS)

Netz, G.

1974-01-01

The quadrupole moments of two single particle proton states were measured in the strongly deformed nuclei region. Both measurements are independent of model because the field gradient is known in a rhenium lattice as well as at the nucleus site of a rhenium atom and also at the nucleus site of an incorporated tantalum atom. The quadrupole moments could thus be directly extracted from the quadrupole interaction frequency, the product of quadrupole moment and field gradient. For the 482 keV state (I = 5/2 + ) in 181 73 Ta 108 one obtains a quadrupole moment of: Q (5/2) = 2.5 +- 0.2 barn. For the 496 keV state (I = 9/2 - ) in 183 75 Re 108 , a quadrupole moment of: Q (0/2) = 3.6 +- 0.4 barn is found. This value agrees well with other experimental data within the framework of the collective model. (orig./LH) [de

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

CERN Document Server

American Society for Testing and Materials. Philadelphia

2000-01-01

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

Stabilisation and precision pointing quadrupole magnets in the Compact Linear Collider (CLIC)

CERN Document Server

Janssens, Stef; Linde, Frank; van den Brand, Jo; Bertolini, Alessandro; Artoos, Kurt

This thesis describes the research done to provide stabilisation and precision positioning for the main beam quadrupole magnets of the Compact Linear Collider CLIC. The introduction describes why new particle accelerators are needed to further the knowledge of our universe and why they are linear. A proposed future accelerator is the Compact Linear Collider (CLIC) which consists of a novel two beam accelerator concept. Due to its linearity and subsequent single pass at the interaction point, this new accelerator requires a very small beam size at the interaction point, in order to increase collision effectiveness. One of the technological challenges, to obtain these small beam sizes at the interaction point, is to keep the quadrupole magnets aligned and stable to 1.5 nm integrated r.m.s. in vertical and 5 nm integrated root mean square (r.m.s.) in lateral direction. Additionally there is a proposal to create an intentional offset (max. 50 nm every 20 ms with a precision of +/- 1 nm), for several quadrupole ma...

Polymer and Additive Mass Spectrometry Literature Review

Energy Technology Data Exchange (ETDEWEB)

Shear, Trevor Allan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-06-06

The use of mass spectrometry in fields related to polymers has increased significantly over the past three decades and will be explored in this literature review. The importance of this technique is highlighted when exploring how polymers degrade, verifying purchased materials, and as internal requirements change. The primary focus will be on four ionization techniques and the triple quadrupole and quadrupole / time-of-flight mass spectrometers. The advantages and limitations of each will also be explored.

The Features of Moessbauer Spectra of Hemoglobins: Approximation by Superposition of Quadrupole Doublets or by Quadrupole Splitting Distribution?

International Nuclear Information System (INIS)

Oshtrakh, M. I.; Semionkin, V. A.

2004-01-01

Moessbauer spectra of hemoglobins have some features in the range of liquid nitrogen temperature: a non-Lorentzian asymmetric line shape for oxyhemoglobins and symmetric Lorentzian line shape for deoxyhemoglobins. A comparison of the approximation of the hemoglobin Moessbauer spectra by a superposition of two quadrupole doublets and by a distribution of the quadrupole splitting demonstrates that a superposition of two quadrupole doublets is more reliable and may reflect the non-equivalent iron electronic structure and the stereochemistry in the α- and β-subunits of hemoglobin tetramers.

Field quality measurements of the LQXB inner triplet quadrupoles for LHC

CERN Document Server

Velev, G V; Carcagno, R; Di Marco, J; Fehér, S; Glass, H; Kashikhin, V V; Kerby, J; Lamm, M J; Makulski, A; Nobrega, A; Nogiec, J; Orris, D; Peterson, T; Rabehl, Roger Jon; Schlabach, P; Strait, J; Sylvester, C D; Tartaglia, M; Tompkins, J C; Zlobin, A V

2005-01-01

As a part of the USLHC program, Fermilab is building half of the inner triplet quadrupole magnets for the LHC. Two identical quadrupoles (MQXB) with a dipole corrector between them in a single cryogenic unit (LQXB) comprise the Q2 optical element of the final focus triplets in the interaction regions. The 5.5 m long MQXB have a 70 mm aperture and operate in superfluid helium at 1.9 K with a peak field gradient of 215 T/m. Manufacturing of the 18 magnets is in an advanced stage. A program of magnetic field quality measurements of the magnets is performed at room temperature during magnet fabrication as well as at superfluid helium temperature during the cold qualification of each magnet. Results of the measurements are summarized in this paper. (12 refs).

Pesticide residues determination in Polish organic crops in 2007-2010 applying gas chromatography-tandem quadrupole mass spectrometry.

Science.gov (United States)

Walorczyk, Stanisław; Drożdżyński, Dariusz; Kowalska, Jolanta; Remlein-Starosta, Dorota; Ziółkowski, Andrzej; Przewoźniak, Monika; Gnusowski, Bogusław

2013-08-15

A sensitive, accurate and reliable multiresidue method based on the application of gas chromatography-tandem quadrupole mass spectrometry (GC-QqQ-MS/MS) has been established for screening, identification and quantification of a large number of pesticide residues in produce. The method was accredited in compliance with PN-EN ISO/IEC 17025:2005 standard and it was operated under flexible scope as PB-11 method. The flexible scope of accreditation allowed for minor modifications and extension of the analytical scope while using the same analytical technique. During the years 2007-2010, the method was used for the purpose of verification of organic crop production by multiresidue analysis for the presence of pesticides. A total of 528 samples of differing matrices such as fruits, vegetables, cereals, plant leaves and other green parts were analysed, of which 4.4% samples contained pesticide residues above the threshold value of 0.01 mg/kg. A total of 20 different pesticide residues were determined in the samples. Copyright © 2013 Elsevier Ltd. All rights reserved.

Determination of albendazole and metabolites in silkworm Bombyx mori hemolymph by ultrafast liquid chromatography tandem triple quadrupole mass spectrometry.

Science.gov (United States)

Li, Li; Xing, Dong-Xu; Li, Qing-Rong; Xiao, Yang; Ye, Ming-Qiang; Yang, Qiong

2014-01-01

Albendazole is a broad-spectrum parasiticide with high effectiveness and low host toxicity. No method is currently available for measuring albendazole and its metabolites in silkworm hemolymph. This study describes a rapid, selective, sensitive, synchronous and reliable detection method for albendazole and its metabolites in silkworm hemolymph using ultrafast liquid chromatography tandem triple quadrupole mass spectrometry (UFLC-MS/MS). The method is liquid-liquid extraction followed by UFLC separation and quantification in an MS/MS system with positive electrospray ionization in multiple reaction monitoring mode. Precursor-to-product ion transitions were monitored at 266.100 to 234.100 for albendazole (ABZ), 282.200 to 208.100 for albendazole sulfoxide (ABZSO), 298.200 to 159.100 for albendazole sulfone (ABZSO2) and 240.200 to 133.100 for albendazole amino sulfone (ABZSO2-NH2). Calibration curves had good linearities with R2 of 0.9905-0.9972. Limits of quantitation (LOQs) were 1.32 ng/mL for ABZ, 16.67 ng/mL for ABZSO, 0.76 ng/mL for ABZSO2 and 5.94 ng/mL for ABZSO2-NH2. Recoveries were 93.12%-103.83% for ABZ, 66.51%-108.51% for ABZSO, 96.85%-105.6% for ABZSO2 and 96.46%-106.14% for ABZSO2-NH2, (RSDs albendazole and its metabolites in silkworm hemolymph in a pharmacokinetic study. The results of single-dose treatment suggested that the concentrations of ABZ, ABZSO and ABZSO2 increased and then fell, while ABZSO2-NH2 level was low without obvious change. Different trends were observed for multi-dose treatment, with concentrations of ABZSO and ABZSO2 rising over time.

Performance of laser ablation. Quadrupole-based ICP-MS coupling for the analysis of single micrometric uranium particles

International Nuclear Information System (INIS)

Fabien Pointurier; Amelie Hubert; Anne-Claire Pottin

2013-01-01

In this paper we describe the application of laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) coupling to particle analysis, i.e., the determination of the isotopic composition of micrometric uranium particles. The performances of this analysis technique are compared with those of the two reference particle analysis techniques: secondary ion mass spectrometry (SIMS) and fission track-thermo-ionization mass spectrometry (FT-TIMS), based on the measurement of the isotopic ratios of 235 U/ 238 U in particles present in an inter-comparison particulate sample. The agreement of the results obtained using LA-ICP-MS with target values and with the results obtained using FT-TIMS and SIMS was good. Accuracy was equivalent to that of the other two techniques (±3 % deviation). However, relative experimental uncertainties present with LA-ICP-MS (7 %) were higher than those present with FT-TIMS (4.5 %) and SIMS (3 %). Furthermore, measurement yield of LA-ICP-MS coupling was close to that obtained with the same quadrupole ICP-MS for the measurement of a liquid sample (∼10 -4 ), but lower than that obtained with FT-TIMS and SIMS, respectively, by a factor of 10 and 20, although the particles analyzed using LA-ICP-MS were most likely smaller (diameter ∼0.6 μm, containing 4-7 fg of 235 U). Nevertheless, thanks to the brevity of the signals obtained, the detection capacity for low isotopic concentrations by LA-ICP-MS coupling is equivalent to that of FT-TIMS, although it remains well below that of SIMS (x 15). However, with more sensitive double focusing ICP-MS, performances equivalent to those achieved using SIMS could be obtained. (author)

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

Science.gov (United States)

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.

Transition quadrupole moments in the superdeformed band of 40Ca

International Nuclear Information System (INIS)

Chiara, C.J.; Ideguchi, E.; Devlin, M.; LaFosse, D.R.; Lerma, F.; Reviol, W.; Ryu, S.K.; Sarantites, D.G.; Baktash, C.; Galindo-Uribarri, A.; Carpenter, M.P.; Janssens, R.V.F.; Lauritsen, T.; Lister, C.J.; Reiter, P.; Seweryniak, D.; Fallon, P.; Goergen, A.; Macchiavelli, A.O.; Rudolph, D.

2003-01-01

The transition quadrupole moments Q t for the superdeformed band in 40 Ca have been determined through thin-target Doppler-shift attenuation analyses. A best-fit value of Q t =1.30±0.05 e b is obtained when a single value is assumed for the entire band. Fitting separate quadrupole moments for in-band transitions decaying from the high-spin states and the presumably admixed low-spin states results in Q t (high)=1.81 -0.26 +0.41 e b and Q t (low)=1.18 -0.05 +0.06 e b, respectively. Q t values extracted for individual transitions in a Doppler-broadened line-shape analysis also indicate smaller Q t values at lower spins. These results are consistent with the interpretation of this band as an eight-particle-eight-hole superdeformed band with a significant admixture of less-collective configurations at low spins

Completion of the Series Fabrication of the Main Superconducting Quadrupole Magnets of LHC

CERN Document Server

Tortschanoff, Theodor; Papaphilippou, Y; Rossi, L; Schirm, K M; Burgmer, R; Klein, H U; Krischel, D; Schellong, B; Schmidt, P; Durante, M; Payn, A; Rifflet, J M; Simon, F

2007-01-01

By end of November 2006, the last main superconducting quadrupole cold mass needed for the installation was delivered by ACCEL Instruments to CERN. In total, 360 cold masses for the arc regions of the machine and 32 special units dedicated to the dispersion suppressor regions are installed in the LHC ring. The latter ones contain the same main magnet but different types of correctors and are of increased length with respect to the regular arc ones. The end of the fabrication of these magnets coincided with the end of the main dipole deliveries allowing a parallel assembly into their cryostats and installation into the LHC tunnel. The positioning into the tunnel was optimized using the warm field measurements performed in the factory. On the other hand, the correct slot assignment of the quadrupoles was complicated due to the multitude of variants and to the fact that a number of units needed to be replaced by spares which were customized for other slots. The paper gives some final data about the successful fa...

Test and Simulation Results for Quenches Induced by Fast Losses on a LHC Quadrupole

CERN Document Server

Bracco, Ch; Bartmann, W; Bednarek, M; Lechner, A; Sapinski, M; Vittal Shetty, N; Schmidt, R; Solfaroli Camillocci, M; Verweij, A

2014-01-01

A test program for beam induced quenches was started in the LHC in 2011 in order to reduce as much as possible BLM-triggered beam dumps, without jeopardising the safety of the superconducting magnets. A first measurement was performed to asses the quench level of a quadrupole located in the LHC injection region in case of fast (ns) losses. It consisted in dumping single bunches onto an injection protection collimator located right upstream of the quadrupole, varying the bunch intensity up to 3×1010 protons and ramping the quadrupole current up to 2200 A. No quench was recorded at that time. The test was repeated in 2013 with increased bunch intensity (6.5×1010 protons); a quench occurred when powering the magnet at 2500 A. The comparison between measurements during beam induced and quench heaters induced quenches is shown. Results of FLUKA simulations on energy deposition, calculations on quench behaviour using the QP3 code and the respective estimates of quench levels are also presented.

Profiling of nonvolatiles in whiskeys using ultra high pressure liquid chromatography quadrupole time-of-flight mass spectrometry (UHPLC-QTOF MS).

Science.gov (United States)

Collins, Thomas S; Zweigenbaum, Jerry; Ebeler, Susan E

2014-11-15

Commercial samples of 63 American whiskeys, including bourbon whiskeys, Tennessee whiskeys, rye whiskeys and other blended whiskeys were analysed using ultra high pressure liquid chromatography (UHPLC) coupled with quadrupole time-of-flight (QTOF) mass spectrometry (MS). The non-volatile composition of the whiskeys was used to model differences among the samples using discriminant analysis. The blended American whiskeys were readily distinguished from the remaining types. Additionally, most Tennessee whiskeys could be differentiated from bourbon and rye whiskeys. Similarly, younger (8 years old) whiskeys could be separated. The compounds important for differentiating among these whiskeys included wood derived phenolic compounds, lignan derived compounds and several C8 and larger lipids. A number of additional compounds differentiated the whiskeys but could not be identified using MS and MS/MS data alone. Copyright © 2014 Elsevier Ltd. All rights reserved.

Fenofibrate Metabolism in the Cynomolgus Monkey using Ultraperformance Liquid Chromatography-Quadrupole Time-of-Flight Mass Spectrometry-Based MetabolomicsS⃞

Science.gov (United States)

Liu, Aiming; Patterson, Andrew D.; Yang, Zongtao; Zhang, Xinying; Liu, Wei; Qiu, Fayang; Sun, He; Krausz, Kristopher W.; Idle, Jeffrey R.; Gonzalez, Frank J.; Dai, Renke

2009-01-01

Fenofibrate, widely used for the treatment of dyslipidemia, activates the nuclear receptor, peroxisome proliferator-activated receptor α. However, liver toxicity, including liver cancer, occurs in rodents treated with fibrate drugs. Marked species differences occur in response to fibrate drugs, especially between rodents and humans, the latter of which are resistant to fibrate-induced cancer. Fenofibrate metabolism, which also shows species differences, has not been fully determined in humans and surrogate primates. In the present study, the metabolism of fenofibrate was investigated in cynomolgus monkeys by ultraperformance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-QTOFMS)-based metabolomics. Urine samples were collected before and after oral doses of fenofibrate. The samples were analyzed in both positive-ion and negative-ion modes by UPLC-QTOFMS, and after data deconvolution, the resulting data matrices were subjected to multivariate data analysis. Pattern recognition was performed on the retention time, mass/charge ratio, and other metabolite-related variables. Synthesized or purchased authentic compounds were used for metabolite identification and structure elucidation by liquid chromatographytandem mass spectrometry. Several metabolites were identified, including fenofibric acid, reduced fenofibric acid, fenofibric acid ester glucuronide, reduced fenofibric acid ester glucuronide, and compound X. Another two metabolites (compound B and compound AR), not previously reported in other species, were characterized in cynomolgus monkeys. More importantly, previously unknown metabolites, fenofibric acid taurine conjugate and reduced fenofibric acid taurine conjugate were identified, revealing a previously unrecognized conjugation pathway for fenofibrate. PMID:19251819

Solid state NMR, basic theory and recent progress for quadrupole nuclei with half-integer spin

International Nuclear Information System (INIS)

Dieter, F.

1998-01-01

This review describes the basic theory and some recently developed techniques for the study of quadrupole nuclei with half integer spins in powder materials. The latter is connected to the introduction of the double rotation (DOR) by A. Samoson et al. (1) and to the introduction of the multiple quantum magic-angle spinning (MQ MAS) technique by L. Frydman et. al. (2). For integer spins, especially the solid-state deuterium magnetic resonance, we refer to the review of G.L. Hoatson and R.L. Vold: '' 2 H-NMR Spectroscopy of Solids and Liquid Crystals'' (3). For single crystals we refer to O. Kanert and M. Mehring: ''Static quadrupole effects in disordered cubic solids''(4) and we would like also to mention the ''classic'' review of M.H. Cohen and F. Reif: ''Quadrupole effects in NMR studies of solids'' (5). Some more recent reviews in the field under study are D. Freude and J. Haase ''Quadrupole effects in solid-state NMR'' (6). Ch. Jager: ''Satellite Transition Spectroscopy of Quadrupolar Nuclei'' (7) and B.F. Chmelka and J.W. Zwanziger: ''Solid State NMR Line Narrowing Methods for Quadrupolar Nuclei - Double Rotation and Dynamic-Angle Spinning'' (8). A survey of nuclear quadrupole frequency data published before the end of 1982 is given by H. Chihara and N. Nakamura in Landolt-Bornstein, Vol. 20 (9). Values of the chemical shift of quadrupole nuclei in solids can be found in books such as ''Multinuclear NMR'' edited by J. Mason (10). In section 9 of ref (6) some electric field gradient and chemical shift data published from 1983 to 1992 for the most studied quadrupole nuclei sup 27 Al, sup 23 Na, and sup 17 O are given

Measurement of the ground state spectroscopic quadrupole moments of 191Os and 193Os

International Nuclear Information System (INIS)

Ernst, H.; Hagn, E.; Zech, E.

1979-01-01

Radioactive 191 Os and 193 Os nuclei have been aligned in an Os single crystal at temperatures down to 4 mK. From the temperature dependence of the γ-anisotropy the quadrupole frequencies vsub(Q) = e 2 qQ/h have been determined as vsub(Q)( 191 OsOs) = -278+-9 MHz and vsub(Q)( 193 OsOs) = -96+-15 MHz. With the known electric field gradient for OsOs of eq = (-4.54+-0.24) x 10 17 V/cm 2 the ground state spectroscopic quadrupole moments are deduced to be Q( 191 Os) = +2.53+-0.16 b and Q( 193 Os) = +0.87+-0.15 b. (orig.)

Gas chromatography–triple quadrupole mass spectrometry for the determination of atmospheric polychlorinated naphthalenes

Energy Technology Data Exchange (ETDEWEB)

Li, Fang [Key Laboratory of Separation Science for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, No. 457 Zhongshan Road, Dalian 116023 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Jin, Jing [Key Laboratory of Separation Science for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, No. 457 Zhongshan Road, Dalian 116023 (China); Sun, Xiaoli [Key Laboratory of Separation Science for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, No. 457 Zhongshan Road, Dalian 116023 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Wang, Xueli; Li, Yun; Shah, Syed Mazhar [Key Laboratory of Separation Science for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, No. 457 Zhongshan Road, Dalian 116023 (China); Chen, Jiping, E-mail: chenjp@dicp.ac.cn [Key Laboratory of Separation Science for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, No. 457 Zhongshan Road, Dalian 116023 (China)

2014-09-15

Highlights: • Atmospheric PCNs were detected by isotope-dilution GC–MS/MS. • The pollution levels of PCNs covering from mono- to octa-CNs were investigated comprehensively in air samples. • The dioxin-like toxicity and human exposure levels of PCNs in air samples were estimated. - Abstract: Atmospheric polychlorinated naphthalenes (PCNs) ranging from mono-CNs to octa-CNs were detected using isotope-dilution gas chromatography coupled with triple quadrupole mass spectrometry (GC–MS/MS). The developed instrumental method was successfully applied to the determination of PCNs in technical products. It was observed that there were significant differences in concentrations, homologue profiles, chlorinated contents and total toxic equivalents (∑TEQs) of PCNs for four Halowax products. Subsequently, the validation of the analytical method was evaluated for the determination of PCNs in air samples in terms of method detection limit (MDL), recovery and matrix effect. The results demonstrated that this method could provide satisfactory sensitivity and adequate selectivity with lower cost. It was conducted to comprehensively evaluate the levels, composition patterns, ∑TEQs, and daily intake exposure of PCNs in indoor and outdoor air samples. Concentrations and ∑TEQs of PCNs in air samples ranged 47.7–832.7 pg m{sup −3} and 1.31–5.99 fg m{sup −3}, respectively, and the predominant homologues were di- and tri-CNs in the gas phase. The results indicated that this analytical method was useful for the accurate and specific evaluation of dioxin-like toxicity and human exposure levels of PCNs in the atmosphere.

Nonuniform radiation damage in permanent magnet quadrupoles.

Science.gov (United States)

Danly, C R; Merrill, F E; Barlow, D; Mariam, F G

2014-08-01

We present data that indicate nonuniform magnetization loss due to radiation damage in neodymium-iron-boron Halbach-style permanent magnet quadrupoles. The proton radiography (pRad) facility at Los Alamos uses permanent-magnet quadrupoles for magnifying lenses, and a system recently commissioned at GSI-Darmsdadt uses permanent magnets for its primary lenses. Large fluences of spallation neutrons can be produced in close proximity to these magnets when the proton beam is, intentionally or unintentionally, directed into the tungsten beam collimators; imaging experiments at LANL's pRad have shown image degradation with these magnetic lenses at proton beam doses lower than those expected to cause damage through radiation-induced reduction of the quadrupole strength alone. We have observed preferential degradation in portions of the permanent magnet quadrupole where the field intensity is highest, resulting in increased high-order multipole components.

Nonuniform radiation damage in permanent magnet quadrupoles

International Nuclear Information System (INIS)

Danly, C. R.; Merrill, F. E.; Barlow, D.; Mariam, F. G.

2014-01-01

We present data that indicate nonuniform magnetization loss due to radiation damage in neodymium-iron-boron Halbach-style permanent magnet quadrupoles. The proton radiography (pRad) facility at Los Alamos uses permanent-magnet quadrupoles for magnifying lenses, and a system recently commissioned at GSI-Darmsdadt uses permanent magnets for its primary lenses. Large fluences of spallation neutrons can be produced in close proximity to these magnets when the proton beam is, intentionally or unintentionally, directed into the tungsten beam collimators; imaging experiments at LANL’s pRad have shown image degradation with these magnetic lenses at proton beam doses lower than those expected to cause damage through radiation-induced reduction of the quadrupole strength alone. We have observed preferential degradation in portions of the permanent magnet quadrupole where the field intensity is highest, resulting in increased high-order multipole components

Nonuniform radiation damage in permanent magnet quadrupoles

Energy Technology Data Exchange (ETDEWEB)

Danly, C. R.; Merrill, F. E.; Barlow, D.; Mariam, F. G. [Los Alamos National Laboratory, Los Alamos, New Mexico 87544 (United States)

2014-08-15

We present data that indicate nonuniform magnetization loss due to radiation damage in neodymium-iron-boron Halbach-style permanent magnet quadrupoles. The proton radiography (pRad) facility at Los Alamos uses permanent-magnet quadrupoles for magnifying lenses, and a system recently commissioned at GSI-Darmsdadt uses permanent magnets for its primary lenses. Large fluences of spallation neutrons can be produced in close proximity to these magnets when the proton beam is, intentionally or unintentionally, directed into the tungsten beam collimators; imaging experiments at LANL’s pRad have shown image degradation with these magnetic lenses at proton beam doses lower than those expected to cause damage through radiation-induced reduction of the quadrupole strength alone. We have observed preferential degradation in portions of the permanent magnet quadrupole where the field intensity is highest, resulting in increased high-order multipole components.

Modified quadrupole mass analyzer RGA-100 for beam plasma research in forevacuum pressure range

Energy Technology Data Exchange (ETDEWEB)

Zolotukhin, D. B.; Tyunkov, A. V. [Tomsk State University of Control Systems and Radioelectronics, 40 Lenin Ave., Tomsk 634050 (Russian Federation); Yushkov, Yu. G., E-mail: yuyushkov@gmail.com [Tomsk State University of Control Systems and Radioelectronics, 40 Lenin Ave., Tomsk 634050 (Russian Federation); Tomsk Polytechnic University, 30 Lenin Ave., Tomsk 634050 (Russian Federation); Oks, E. M. [Tomsk State University of Control Systems and Radioelectronics, 40 Lenin Ave., Tomsk 634050 (Russian Federation); Institute of High Current Electronics SB RAS, 2/3, Akademichesky Ave., Tomsk 634055 (Russian Federation)

2015-12-15

The industrial quadrupole RGA-100 residual gas analyzer was modified for the research of electron beam-generated plasma at forevacuum pressure range. The standard ionizer of the RGA-100 was replaced by three electrode extracting unit. We made the optimization of operation parameters in order to provide the maximum values of measured currents of any ion species. The modified analyzer was successfully tested with beam plasma of argon, nitrogen, oxygen, and hydrocarbons.

Rapid Identification of Steroidal Saponins in Trillium tschonoskii Maxim by Ultraperformance Liquid Chromatography Coupled to Electrospray Ionisation Quadrupole Time-of-Flight Tandem Mass Spectrometry.

Science.gov (United States)

Gao, Xin; Sun, Wenjun; Fu, Qiang; Niu, Xiaofeng

2015-01-01

Steroidal saponins in Trillium tschonoskii Maxim have many biological activities, including immunological regulation and anti-tumour. Comprehensive ingredient identification is critical for understanding its pharmacological mechanism and establishing quality control protocols. However, it is a challenging problem because of the complexity of steroidal saponins. To develop a UPLC-MS method for identifying and characterising steroidal saponins in the root and rhizome of T. tschonoskii. Methanolic extracts of T. tschonoskii were analysed by using ultraperformance liquid chromatography coupled to electrospray ionisation quadrupole time-of-flight tandem mass spectrometry (UPLC-ESI/QTOF/MS). The UPLC experiments were performed by means of a reversed-phase C18 -column and a binary mobile phase system consisting of water and acetonitrile with formic acid under gradient elution conditions. For the UPLC-MS measurements, positive and negative ion modes were used in order to obtain better tandem mass spectra and high-resolution mass spectra. Based on retention times, accurate mass and mass spectrometric fragmentation, a total of 31 saponins distributed over eight steroidal aglycone skeletons were identified or tentatively elucidated from T. tschonoskii. The UPLC-ESI/QTOF/MS method has proven to be a powerful tool for rapid identification of steroidal saponins in T. tschonoskii without tedious and time-consuming isolation of pure constituents. Copyright © 2015 John Wiley & Sons, Ltd.

Superconducting focusing quadrupoles for heavy ion fusion experiments

Energy Technology Data Exchange (ETDEWEB)

Sabbi, G.L.; Faltens, A.; Leitner, M.; Lietzke, A.; Seidl, P.; Barnard, J.; Lund, S.; Martovetsky, N.; Gung, C.; Minervini, J.; Radovinsky, A.; Schultz, J.; Meinke, R.

2003-05-01

The Heavy Ion Fusion (HIF) Program is developing superconducting focusing magnets for both near-term experiments and future driver accelerators. In particular, single bore quadrupoles have been fabricated and tested for use in the High Current Experiment (HCX) at Lawrence Berkeley National Laboratory (LBNL). The next steps involve the development of magnets for the planned Integrated Beam Experiment (IBX) and the fabrication of the first prototype multi-beam focusing arrays for fusion driver accelerators. The status of the magnet R&D program is reported, including experimental requirements, design issues and test results.

Quadrupole moments measured by nuclear orientation

International Nuclear Information System (INIS)

Bouchta, H.

1985-01-01

Quadrupole interactions between the nuclei and solids have been studied with the low temperature nuclear orientation technique. The first series of measurements have been effected on the orientation of 195H g m and 197 Hg m , long lived daughter states in the 195 Au and 197 Au decay. The lifetimes of these states are of the same order as the spin-lattice relaxation time. The reorientation of the intermediate states has been taken into account extending the dipole relaxation mechanism to non-equidistant relaxing substates. The experimental nuclear quadrupole moments, thus deduced are slightly different from theoretical estimations. A new high precision method accessible to levels with 100 ns to 1 m lifetimes, the level mixing resonance on oriented nuclei (LMR/ON) has been elaborated in collaboration with LEUVEN university (Belgium). In this technique the nucleus is subject to a non colinear electric plus magnetic combined interaction. The quadrupole interaction of Ag[7/2, = 40 s] isomer with the electric field gradient in zinc has been established to better than 1% observing its level mixing resonances; and also the ratio of electric field gradients of silver in zinc to cadmium. The electric quadrupole moments of 106 Ag m , 107 Ag m and 109 Ag m have been established combining the level mixing resonances with classical low temperature quadrupole alignment measurements. The experimental values are in good agreement with theoretical calculations based on a semi-microscopical model using Yukawa potential [fr

The g-factor and the electric quadrupole moment of the 7/2+ isomer in 125Xe

International Nuclear Information System (INIS)

Alber, D.; Bertschat, H.H.; Grawe, H.; Haas, H.; Mahnke, H.E.; Menningen, M.; Semmler, W.; Sielemann, R.; Zeitz, W.D.; Freie Univ. Berlin

1983-01-01

The time differential perturbed angular distribution method (PAD) was used to measure the g-factor and the electric quadrupole interaction in a Cd single crystal for the tsub(1/2)=140 ns, Isup(π)=7/2 + isomer in 125 Xe. The g-factor is g=+0.264(10) and the quadrupole coupling constant e 2 Qq/h=122.1(6) MHz at 552 K. The lifetime of the Isup(π)=11/2 + state was measured to be tau=11.3(1.1) ps by the recoil distance method (RDM). From an analysis of the spectroscopic data using the triaxial-rotor-pulse-particle (TRPP) model the quadrupole moment of the 7/2 + isomer is deduced to be Q=1.40(15) b yielding an electric field gradient (efg) eq=3.6(4)x10 17 V/cm 2 for Xe Cd. (orig.)

The g-factor and the electric quadrupole moment of the 7/2+ isomer in 125Xe

International Nuclear Information System (INIS)

Alber, D.; Bertschat, H.H.; Grawe, H.; Haas, H.; Mahnke, H.E.; Menningen, M.; Semmler, W.; Sielemann, R.; Zeitz, W.D.

1983-01-01

The time differential perturbed angular distribution method (PAD) was used to measure the g-factor and the electric quadrupole interaction in a Cd single crystal for the tsub(1/2) = 140 ns, Isup(π) = 7/2 + isomer in 125 Xe. The g-factor is g = +0.264(10) and the quadrupole coupling constant e 2 Qq/h = 122.1(6) MHz at 552 K. The lifetime of the Isup(π) = 11/2 + state was measured to be tau = 11.3(1.1) ps by the recoil distance method (RDM). From an analysis of the spectroscopic data using the triaxial-rotor-plus-particle (TRPP) model the quadrupole moment of the 7/2 + isomer is deduced to be Q = 1.40(15) b yielding an electric field gradient (efg) eq = 3.6(4)x10 17 V/cm 2 for Xe Cd. (orig.)

Chiral separation and chemical profile of Dengzhan Shengmai by integrating comprehensive with multiple heart-cutting two-dimensional liquid chromatography coupled with quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Sheng, Ning; Zheng, Hao; Xiao, Yao; Wang, Zhe; Li, Menglin; Zhang, Jinlan

2017-09-29

Chemical profile for Chinese medicine formulas composed of several herbs is always a challenge due to a big array of small molecules with high chemical diversity so much as isomers. The present paper develops a feasible strategy to characterize and identify complex chemical constituents of a four-herb traditional Chinese medicine formula, Denzhan Shenmai (DZSM) by integrating comprehensive two-dimensional liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (LC×LC-qTOF-MS) with multiple heart-cutting two-dimensional liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (MHC-qTOF-MS). DZSM was separated by C8×C18 HPLC column system for comprehensive two-dimensional liquid chromatography system and 283 compounds most of which belonged to phenolic acid, flavonoid, saponin and lignan families were characterized and identified within 75min. Some isomers and compounds at low level were analyzed on C8×Chiral HPLC column system for multiple heart-cutting two-dimensional liquid chromatography system with 1D and 2D optimized gradient elution program. These 1D cutting fractions were successively separated on 2D chiral chromatographic column under extended the 2D gradient elution time from 30s to 5.0min. 12 pairs of isomer compounds were separated with good resolution. The combination of LC×LC and MHC system provides a powerful technique for global chemical profiling of DZSM and provided feasible strategy for other complex systems. Copyright © 2017 Elsevier B.V. All rights reserved.

Mass-selective isolation of ions stored in a quadrupole ion trap. A simulation study

Science.gov (United States)

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

Profiling the Metabolism of Astragaloside IV by Ultra Performance Liquid Chromatography Coupled with Quadrupole/Time-of-Flight Mass Spectrometry

Directory of Open Access Journals (Sweden)

Xu-Dong Cheng

2014-11-01

Full Text Available Astragaloside IV is a compound isolated from the Traditional Chinese Medicine Astragalus membranaceus, that has been reported to have bioactivities against cardiovascular disease and kidney disease. There is limited information on the metabolism of astragaloside IV, which impedes comprehension of its biological actions and pharmacology. In the present study, an ultra-performance liquid chromatography coupled with quadrupole/time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS-based approach was developed to profile the metabolites of astragaloside IV in rat plasma, bile, urine and feces samples. Twenty-two major metabolites were detected. The major components found in plasma, bile, urine and feces included the parent chemical and phases I and II metabolites. The major metabolic reactions of astragaloside IV were hydrolysis, glucuronidation, sulfation and dehydrogenation. These results will help to improve understanding the metabolism and reveal the biotransformation profiling of astragaloside IV in vivo. The metabolic information obtained from our study will guide studies into the pharmacological activity and clinical safety of astragaloside IV.

Status of a study of stabilization and fine positioning of CLIC quadrupoles to the nanometre level

CERN Document Server

Artoos, K; Esposito, M; Fernandez Carmona, P; Guinchard, M; Hauviller, C; Janssens, S; Kuzmin, A; Leuxe, R; Moron Ballester, R

2011-01-01

Mechanical stability to the nanometre and below is required for the Compact Linear Collider (CLIC) quadrupoles to frequencies as low as 1 Hz. An active stabilization and positioning system based on very stiff piezo electric actuators and inertial reference masses is under study for the Main Beam Quadrupoles (MBQ). The stiff support was selected for robustness against direct forces and for the option of incrementally repositioning the magnet with nanometre resolution. The technical feasibility was demonstrated by a representative test mass being stabilized and repositioned to the required level in the vertical and lateral direction. Technical issues were identified and the development programme of the support, sensors, and controller was continued to increase the performance, integrate the system in the overall controller, adapt to the accelerator environment, and reduce costs. The improvements are implemented in models, test benches, and design of the first stabilized prototype CLIC magnet. The characterizati...

A First Step in the Quest for the Active Constituents in Filipendula ulmaria (Meadowsweet): Comprehensive Phytochemical Identification by Liquid Chromatography Coupled to Quadrupole-Orbitrap Mass Spectrometry.

Science.gov (United States)

Bijttebier, Sebastiaan; Van der Auwera, Anastasia; Voorspoels, Stefan; Noten, Bart; Hermans, Nina; Pieters, Luc; Apers, Sandra

2016-04-01

Filipendula ulmaria (meadowsweet) is traditionally used for the treatment of inflammatory diseases and as a diuretic and antirheumatic. Extracts of Filipendulae herba are on the market in the European Union as food supplements. Nevertheless, its active constituents remain to be revealed. During this study, the phytochemical composition of Filipendulae Ulmariae Herba was comprehensively characterised for the first time with two complementary generic ultrahigh-performance liquid chromatography-photodiode array-accurate mass mass spectrometry methods. Selective ion fragmentation experiments with a hybrid quadrupole-orbital trap mass spectrometer significantly contributed to compound identification: a total of 119 compounds were tentatively identified, 69 new to F. ulmaria. A rich diversity of phenolic constituents was detected and only a few non-phenolic phytochemicals were observed. Metabolisation and pharmacological studies should be conducted to investigate which of these constituents or metabolites there of contribute to the activity of F. ulmaria after oral intake. Georg Thieme Verlag KG Stuttgart · New York.

Quantized TDHF for isoscalar giant quadrupole resonances in spherical nuclei

International Nuclear Information System (INIS)

Drozdz, S.; Okolowicz, J.; Ploszajczak, M.; Caurier, E.

1988-01-01

The time-dependent Hartree-Fock theory supplemented with the regularity and single-valuedness quantization condition for the gauge invariant component of the wavefunction is applied to the description of the centroid energy and escape width of isoscalar giant quadrupole resonances in 16 O, 40 Ca and 110 Zr. Calculations are performed using the Skyrme SIII effective interaction. An important role of the finite oscillation amplitude in the mean-field dynamics is emphasized. (orig.)

High-Energy Gun-Injected Toroidal Quadrupole

International Nuclear Information System (INIS)

Hammel, J.E.; Henins, I.; Kewish, R.W. Jr.; Marshall, J.; Sherwood, A.R.

1971-01-01

A quadrupole device is being used to investigate the trapping and containment of an energetic gun plasma. The quadrupole is designed to contain a peak density of 5 x 10 13 cm -3 at 2.5 keV within the MHD-stable region. At design field there are 5 gyro-radii for 2. 5-keV protons from the separatrix to the ψ crit . The interior conductors are directly driven with a 0.8-MJ capacitor bank. The current to the coils is fed through a single pair of dipole-guarded conductors to each coil. The coils are also supported from the current feed, The dipole guard is in a force-free configuration with 5 gyro-radii for 2. 5-keV protons from the separatrix (between the dipole and quadrupole fields) to the dipole surface. The dipole is designed so that loss of plasma from the dipole region will be directed away from the interior conductors. This feature is necessary for the prevention of contamination by secondary gas produced by plasma lost at the dipole guard. Experiments at one-half design value of magnetic field have shown that the kilovolt energy gun plasma is trapped by depolarization currents around the coils, and that a very high percentage (>50%) of the gun output can be trapped. The plasma density is measured by a unique Michelson interferometer using CO 2 laser light. The energy of the plasma is derived from magnetic pickup loops placed outside the containment region. The leak caused by the dipole guard Held has been examined by double electric probe measurements. The plasma drift thus inferred is an order of magnitude less than that predicted by a model of Meade's or by calculations by us. This casts doubt upon the validity of any such simple model and emphasizes the necessity of further experimental investigation of the matter. New coils which are being built to operate at full design magnetic field strength will allow a check on the containment time of the device for kilovolt energy plasma. (author)

SUPERCONDUCTING QUADRUPOLE ARRAYS FOR MULTIPLE BEAM TRANSPORT

International Nuclear Information System (INIS)

Rainer Meinke Carl Goodzeit Penny Ball Roger Bangerter

2003-01-01

The goal of this research was to develop concepts for affordable, fully functional arrays of superconducting quadrupoles for multi-beam transport and focusing in heavy ion fusion (HIF)accelerators. Previous studies by the Virtual National Laboratory (VNL) collaboration have shown that the multi-beam transport system (consisting of alternating gradient quadrupole magnets, a beam vacuum system, and the beam monitor and control system) will likely be one of the most expensive and critical parts of such an accelerator. This statement is true for near-term fusion research accelerators as well as accelerators for the ultimate goal of power production via inertial fusion. For this reason, research on superconducting quadrupole arrays is both timely and important for the inertial fusion energy (IFE) research program. This research will also benefit near-term heavy ion fusion facilities such as the Integrated Research Experiment (IRE)and/or the Integrated Beam Experiment (IBX). We considered a 2-prong approach that addresses the needs of both the nearer and longer term requirements of the inertial fusion program. First, we studied the flat coil quadrupole design that was developed by LLNL; this magnet is 150 mm long with a 50 mm aperture and thus is suitable for near term experiments that require magnets of a small length to aperture ratio. Secondly, we studied the novel double-helix quadrupole (DHQ) design in a small (3 x 3) array configuration; this design can provide an important step to the longer term solution of loW--cost, easy to manufacture array constructions. Our Phase I studies were performed using the AMPERES magnetostatic analysis software. Consideration of these results led to plans for future magnet RandD construction projects. The first objective of Phase I was to develop the concept of a superconducting focusing array that meets the specific requirements of a heavy ion fusion accelerator. Detailed parameter studies for such quadrupole arrays were performed

SUPERCONDUCTING QUADRUPOLE ARRAYS FOR MULTIPLE BEAM TRANSPORT

Energy Technology Data Exchange (ETDEWEB)

Rainer Meinke

2003-10-01

The goal of this research was to develop concepts for affordable, fully functional arrays of superconducting quadrupoles for multi-beam transport and focusing in heavy ion fusion (HIF)accelerators. Previous studies by the Virtual National Laboratory (VNL) collaboration have shown that the multi-beam transport system (consisting of alternating gradient quadrupole magnets, a beam vacuum system, and the beam monitor and control system) will likely be one of the most expensive and critical parts of such an accelerator. This statement is true for near-term fusion research accelerators as well as accelerators for the ultimate goal of power production via inertial fusion. For this reason, research on superconducting quadrupole arrays is both timely and important for the inertial fusion energy (IFE) research program. This research will also benefit near-term heavy ion fusion facilities such as the Integrated Research Experiment (IRE)and/or the Integrated Beam Experiment (IBX). We considered a 2-prong approach that addresses the needs of both the nearer and longer term requirements of the inertial fusion program. First, we studied the flat coil quadrupole design that was developed by LLNL; this magnet is 150 mm long with a 50 mm aperture and thus is suitable for near term experiments that require magnets of a small length to aperture ratio. Secondly, we studied the novel double-helix quadrupole (DHQ) design in a small (3 x 3) array configuration; this design can provide an important step to the longer term solution of low-cost, easy to manufacture array constructions. Our Phase I studies were performed using the AMPERES magnetostatic analysis software. Consideration of these results led to plans for future magnet R&D construction projects. The first objective of Phase I was to develop the concept of a superconducting focusing array that meets the specific requirements of a heavy ion fusion accelerator. Detailed parameter studies for such quadrupole arrays were performed

Precise mass determination of single cell with cantilever-based microbiosensor system.

Directory of Open Access Journals (Sweden)

Bogdan Łabędź

Full Text Available Having determined the mass of a single cell of brewer yeast Saccharomyces cerevisiae by means of a microcantilever-based biosensor Cantisens CSR-801 (Concentris, Basel, Switzerland, it was found that its dry mass is 47,65 ± 1,05 pg. Found to be crucial in this mass determination was the cell position along the length of the cantilever. Moreover, calculations including cells positions on the cantilever provide a threefold better degree of accuracy than those which assume uniform mass distribution. We have also examined the influence of storage time on the single cell mass. Our results show that after 6 months there is an increase in the average mass of a single yeast cell.

Precise mass determination of single cell with cantilever-based microbiosensor system.

Science.gov (United States)

Łabędź, Bogdan; Wańczyk, Aleksandra; Rajfur, Zenon

2017-01-01

Having determined the mass of a single cell of brewer yeast Saccharomyces cerevisiae by means of a microcantilever-based biosensor Cantisens CSR-801 (Concentris, Basel, Switzerland), it was found that its dry mass is 47,65 ± 1,05 pg. Found to be crucial in this mass determination was the cell position along the length of the cantilever. Moreover, calculations including cells positions on the cantilever provide a threefold better degree of accuracy than those which assume uniform mass distribution. We have also examined the influence of storage time on the single cell mass. Our results show that after 6 months there is an increase in the average mass of a single yeast cell.

AA, wide quadrupole on measurement stand

CERN Multimedia

CERN PhotoLab

1981-01-01

Please look up 8101024 first. Shims and washers on the wide quadrupoles (QFW, QDW; located in the lattice where dispersion was large) served mostly for corrections of those lattice parameters which were a function of momentum. After mounting shims and washers, the quadrupoles were measured to determine their magnetic centre and to catalogue the effect of washer constellations. Raymond Brown is busy measuring a wide quad.

AA, shims and washers on quadrupole ends

CERN Multimedia

CERN PhotoLab

1981-01-01

Due to the fact that much of the field of the quadrupoles was outside the iron (in particular with the wide quadrupoles) and that thus the fields of quadrupoles and bending magnets interacted, the lattice properties of the AA could not be predicted with the required accuracy. After a first running period in 1980, during which detailed measurements were made with proton test beams, corrections to the quadrupoles were made in 1981, in the form of laminated shims at the ends of the poles, and with steel washers. With the latter ones, further refinements were made in an iterative procedure with measurements on the circulating beam. This eventually resulted, amongst other things, in a very low chromaticity, with the Q-values being constant to within +- 0.001 over the total momentum range of 6 %. Here we see the shims and washers on a narrow qudrupole (QFN, QDN). See also 8103203, 8103204, 8103205, 8103206.

Electric quadrupole moments of neutron-rich nuclei {sup 32}Al and {sup 31}Al

Energy Technology Data Exchange (ETDEWEB)

Kameda, D., E-mail: kameda@ribf.riken.jp; Ueno, H. [RIKEN Nishina Center (Japan); Asahi, K.; Nagae, D.; Takemura, M.; Shimada, K. [Tokyo Institute of Technology, Department of Physics (Japan); Yoshimi, A.; Nagatomo, T.; Sugimoto, T. [RIKEN Nishina Center (Japan); Uchida, M.; Arai, T.; Takase, K.; Suda, S.; Inoue, T. [Tokyo Institute of Technology, Department of Physics (Japan); Murata, J.; Kawamura, H. [Rikkyo University, Department of Physics (Japan); Watanabe, H. [Australian National University, Department of Nuclear Physics (Australia); Kobayashi, Y.; Ishihara, M. [RIKEN Nishina Center (Japan)

2007-11-15

The electric quadrupole moments for the ground states of {sup 32}Al and {sup 31}Al have been measured by the {beta} ray-detected nuclear quadrupole resonance method. Spin-polarized {sup 32}Al and {sup 31}Al nuclei were obtained from the fragmentation of {sup 40}Ar projectiles at E/A = 95 MeV/nucleon, and were implanted in a single crystal {alpha}-Al{sub 2}O{sub 3} stopper. The measured Q moment of {sup 32}Al, |Q({sup 32}Al)| = 24(2) mb, is in good agreement with a conventional shell-model calculation with a full sd model space and empirical effective charges, while that of {sup 31}Al is considerably smaller than the sd calculations.

Determination of Albendazole and Metabolites in Silkworm Bombyx mori Hemolymph by Ultrafast Liquid Chromatography Tandem Triple Quadrupole Mass Spectrometry

Science.gov (United States)

Li, Li; Xing, Dong-Xu; Li, Qing-Rong; Xiao, Yang; Ye, Ming-Qiang; Yang, Qiong

2014-01-01

Albendazole is a broad-spectrum parasiticide with high effectiveness and low host toxicity. No method is currently available for measuring albendazole and its metabolites in silkworm hemolymph. This study describes a rapid, selective, sensitive, synchronous and reliable detection method for albendazole and its metabolites in silkworm hemolymph using ultrafast liquid chromatography tandem triple quadrupole mass spectrometry (UFLC-MS/MS). The method is liquid-liquid extraction followed by UFLC separation and quantification in an MS/MS system with positive electrospray ionization in multiple reaction monitoring mode. Precursor-to-product ion transitions were monitored at 266.100 to 234.100 for albendazole (ABZ), 282.200 to 208.100 for albendazole sulfoxide (ABZSO), 298.200 to 159.100 for albendazole sulfone (ABZSO2) and 240.200 to 133.100 for albendazole amino sulfone (ABZSO2-NH2). Calibration curves had good linearities with R2 of 0.9905–0.9972. Limits of quantitation (LOQs) were 1.32 ng/mL for ABZ, 16.67 ng/mL for ABZSO, 0.76 ng/mL for ABZSO2 and 5.94 ng/mL for ABZSO2-NH2. Recoveries were 93.12%–103.83% for ABZ, 66.51%–108.51% for ABZSO, 96.85%–105.6% for ABZSO2 and 96.46%–106.14% for ABZSO2-NH2, (RSDs <8%). Accuracy, precision and stability tests showed acceptable variation in quality control (QC) samples. This analytical method successfully determined albendazole and its metabolites in silkworm hemolymph in a pharmacokinetic study. The results of single-dose treatment suggested that the concentrations of ABZ, ABZSO and ABZSO2 increased and then fell, while ABZSO2-NH2 level was low without obvious change. Different trends were observed for multi-dose treatment, with concentrations of ABZSO and ABZSO2 rising over time. PMID:25255321

A solid-phase microextraction-gas chromatographic approach combined with triple quadrupole mass spectrometry for the assay of carbamate pesticides in water samples.

Science.gov (United States)

Cavaliere, Brunella; Monteleone, Marcello; Naccarato, Attilio; Sindona, Giovanni; Tagarelli, Antonio

2012-09-28

A simple and sensitive method was developed for the quantification of five carbamate pesticides in water samples using solid phase microextraction (SPME) combined with gas chromatography-triple quadrupole mass spectrometry (GC-QqQ-MS). The performance of five SPME fibers was tested in univariate mode whereas the other variables affecting the efficiency of SPME analysis were optimized by the multivariate approach of design of experiment (DoE) and, in particular, a central composite design (CCD) was applied. The optimum working conditions in terms of response values were achieved by performing analysis with polydimethylsiloxane/divinylbenzene (PDMS/DVB) fiber in immersion mode for 45min at room temperature with addition of NaCl (10%). The multivariate chemometric approach was also used to explore the chromatographic behavior of the carbamates and to evaluate the importance of each variable investigated. An overall appraisement of results shows that the factor which gave a statistically significant effect on the response was only the injection temperature. Identification and quantification of carbamates was performed by using a gas chromatography-triple quadrupole mass spectrometry (GC-QqQ-MS) system in multiple reaction monitoring (MRM) acquisition. Since the choice of internal standard represented a crucial step in the development of method to achieve good reproducibility and robustness for the entire analytical protocol, three compounds (2,3,5-trimethacarb, 4-bromo-3,5-dimethylphenyl-n-methylcarbamate (BDMC) and carbaryl-d7) were evaluated as internal standards. Both precision and accuracy of the proposed protocol tested at concentration of 0.08, 5 and 3 μg l⁻¹ offered values ranging from 70.8% and 115.7% (except for carbaryl at 3 μg l⁻¹) and from 1.0% and 9.0% for accuracy and precision, respectively. Moreover, LOD and LOQ values ranging from 0.04 to 1.7 ng l⁻¹ and from 0.64 to 2.9 ng l⁻¹, respectively, can be considered very satisfactory. Copyright

Permanent magnet quadrupole for the 1-ST tank of LINAC-4

CERN Document Server

Skachkov, Vl; Sergeeva, O; Lombardi, A; Sargsyan, E; Cornuet, D; Venturini , W; Skachkov , V

2006-01-01

A rare-earth (REPM) ∅ 60 mm diameter, 45 mm long quadrupole for the LINAC-4 focusing channel with an integrated gradient of 2.3 T is described. Thin side washers are used for tuning the quad into specified gradient integral with ±0.5 % accuracy. The single washer contribution calculations are discussed. A method for limiting to 30 μ m the magnetic axis offset in the REPM quad is discussed to exclude its compensation by the outer diameter machining before inserting into the drift tube. Nonlinearity of the field is less than 1 % in the reference range of 75 % of beam aperture at the central cross- section near the quad axis . The angular quadrupole arrangement in the drift tube will be provided by machining the main groove on the quad surface in the median plane with 1 mrad accuracy. Calculations of the longitudinal gradient distribution between two...

Theory of the time orbiting potential (TOP) quadrupole magnetic trap for cold atoms

Energy Technology Data Exchange (ETDEWEB)

Minogin, V.G.; Richmond, J.A.; Opat, G.I.

1997-12-31

An analytical theory of the time orbiting potential (TOP) quadrupole magnetic trap for cold atoms is developed. It is shown that the rotating magnetic filed used to create the time-average harmonic potential is responsible for the formation of quasi-energy states of an atom in the trap. It is found that the motion of an atom near the origin of the trap can be represented as consisting of slow motion in the effective potential and fast oscillations with small amplitude. Dipole, quadrupole and higher order atomic transitions between quasi-energy states are shown to be responsible for an additional effective potential for slow atomic motion which is proportional to the fourth power of the atomic co-ordinate. Eigenstates and eigenfunctions are used to calculate the co-ordinate distribution for a single atom. It is concluded that at low temperature the quantum statistical co-ordinate distribution for a single atom exhibits a narrow central peak due to the ground state population, together with relatively broad wings due to the excited state population. (authors). 20 refs., 1 tab., 6 figs.

Rare earth elements determined in Antarctic ice by inductively coupled plasma-Time of flight, quadrupole and sector field-mass spectrometry: An inter-comparison study

International Nuclear Information System (INIS)

Dick, D.; Wegner, A.; Gabrielli, P.; Ruth, U.; Barbante, C.; Kriews, M.

2008-01-01

Inductively coupled plasma mass spectrometry (ICP-MS) is a suitable tool for multi-element analysis at low concentration levels. Rare earth element (REE) determinations in standard reference materials and small volumes of molten ice core samples from Antarctica have been performed with an ICP-time of flight-MS (ICP-TOF-MS) system. Recovery rates for REE in e.g. SPS-SW1 amounted to ∼103%, and the relative standard deviations were 3.4% for replicate analysis at REE concentrations in the lower ng L -1 range. Analyses of REE concentrations in Antarctic ice core samples showed that the ICP-TOF-MS technique meets the demands of restricted sample mass. The data obtained are in good agreement with ICP-Quadrupole-MS (ICP-Q-MS) and ICP-Sector Field-MS (ICP-SF-MS) results. The ICP-TOF-MS system determines accurately and precisely REE concentrations exceeding 5 ng L -1 while between 0.5 and 5 ng L -1 accuracy and precision are element dependent

Profiling of phytohormones and their major metabolites in rice using binary solid-phase extraction and liquid chromatography-triple quadrupole mass spectrometry.

Science.gov (United States)

Cao, Zhao-Yun; Sun, Li-Hua; Mou, Ren-Xiang; Zhang, Lin-Ping; Lin, Xiao-Yan; Zhu, Zhi-Wei; Chen, Ming-Xue

2016-06-17

A high-throughput method was developed using liquid chromatography-triple quadrupole mass spectrometry (LC-MS/MS) for the profiling and quantification of 43 phytohormones and their major metabolites, including auxins, abscisic acid, jasmonic acid, salicylic acid, cytokinins and gibberellins in a single sample extract. Considerable matrix effects (MEs) were observed (with most ME values in the range of 29%-84%, but maximum MEs of more than 115%, even up to 206%, existed) in sample extracts for most of the compounds studied. The application of the proposed binary solid-phase extraction using polymer anion and polymer cation exchange resins, was performed to purify 25 acidic and 18 alkaline phytohormones and their major metabolites prior to the LC-MS/MS analysis, which markedly reduced the MEs to acceptable levels, with ME values in the range of ±15%. Moreover, all of the isomers of cytokinins and their metabolites were fully separated on a sub-2μm particle C18 reverse-phase column with the optimized mobile phase consisting of methanol and 5mM ammonium formate. The method showed good linearity for all 43 analytes with regression coefficients (R(2))>0.991. Limits of detection ranged from 0.19 to 7.57 fmol for auxin, gibberellins, abscisic acid and their metabolites, 29.7 fmol for jasmonic acid, 18.1 fmol for salicylic acid, and from 0.03 to 0.31 fmol for cytokinins and their metabolites. The mean recoveries for all of the analytes were from 70.7 to 118.5%, and the inter-day precisions (n=6) were less than 18.7%, with intra-day precisions (n=6) within 25.4%. Finally, 20 compounds were successfully quantified in rice sample profiles using the proposed method, which will greatly facilitate the understanding of hormone-related regulatory networks that influence rice growth and development. To our knowledge, there are limited reports that measure this level of phytohormone species in rice samples using a single analysis. Copyright © 2016 Elsevier B.V. All rights reserved.

Measurements of quadrupole magnets

International Nuclear Information System (INIS)

Conradie, J.L.; Fourie, D.T.; Cornell, J.C.; Lloyd, G.C.W.

1987-01-01

Measurements carried out on quadrupole magnets using a long asymmetric rotating coil are described. Although the method itself is fairly well-known, the introduction of microprocessors has made this once-tedious technique into a useful and simple method of evaluating quadrupole magnets. The rotating-coil device and a variety of coil sizes are now commercially available. The coil contains a large number of extremely fine wires, embedded in a carefully balanced fibre-glass rotor, resulting in a reasonable induced voltage when the coil is rotated. A digital harmonic analyser is then used to obtain the integrated multipole content of the waveform, while the coil is rotating. By integrating over time, one can average out random noise and increase the reliability and repeatability of the measurements. Because the harmonic analysis is done in real time, the method is quick, easy and accurate, and has been extended to locate the precise magnetic centre of the quadrupole magnet by adjusting its position relative to the coil axis so as to minimize the dipole content of the output waveform. Results of these measurements are compared with those obtained with an optical method using a suspension of magnetite. The observed light pattern is explained analytically. (author)

Use of quadrupole time-of-flight mass spectrometry to determine proposed structures of transformation products of the herbicide bromacil after water chlorination.

Science.gov (United States)

Ibáñez, María; Sancho, Juan V; Pozo, Oscar J; Hernández, Félix

2011-10-30

The herbicide bromacil has been extensively used in the Spanish Mediterranean region, and although plant protection products containing bromacil have been withdrawn by the European Union, this compound is still frequently detected in surface and ground water of this area. However, the fast and complete disappearance of this compound has been observed in water intended for human consumption, after it has been subjected to chlorination. There is a concern about the possible degradation products formed, since they might be present in drinking water and might be hazardous. In this work, the sensitive full-spectrum acquisition, high resolution and exact mass capabilities of hybrid quadrupole time-of-flight (QTOF) mass spectrometry have allowed the discovery and proposal of structures of transformation products (TPs) of bromacil in water subjected to chlorination. Different ground water samples spiked at 0.5 µg/mL were subjected to the conventional chlorination procedure applied to drinking waters, sampling 2-mL aliquots at different time intervals (1, 10 and 30 min). The corresponding non-spiked water was used as control sample in each experiment. Afterwards, 50 μL of the water was directly injected into an ultra-high-pressure liquid chromatography (UHPLC)/electrospray ionization (ESI)-(Q)TOF system. The QTOF instrument enabled the simultaneous recording of two acquisition functions at different collision energies (MS(E) approach): the low-energy (LE) function, fixed at 4 eV, and the high-energy (HE) function, with a collision energy ramp from 15 to 40 eV. This approach enables the simultaneous acquisition of both parent (deprotonated and protonated molecules) and fragment ions in a single injection. The low mass errors observed for the deprotonated and protonated molecules (detected in LE function) allowed the assignment of a highly probable molecular formula. Fragment ions and neutral losses were investigated in both LE and HE spectra to elucidate the

New injection scheme using a pulsed quadrupole magnet in electron storage rings

Directory of Open Access Journals (Sweden)

Kentaro Harada

2007-12-01

Full Text Available We demonstrated a new injection scheme using a single pulsed quadrupole magnet (PQM with no pulsed local bump at the Photon Factory Advanced Ring (PF-AR in High Energy Accelerator Research Organization (KEK. The scheme employs the basic property of a quadrupole magnet, that the field at the center is zero, and nonzero elsewhere. The amplitude of coherent betatron oscillation of the injected beam is effectively reduced by the PQM; then, the injected beam is captured into the ring without largely affecting the already stored beam. In order to investigate the performance of the scheme with a real beam, we built the PQM providing a higher field gradient over 3  T/m and a shorter pulse width of 2.4  μs, which is twice the revolution period of the PF-AR. After the field measurements confirmed the PQM specifications, we installed it into the ring. Then, we conducted the experiment using a real beam and consequently succeeded in storing the beam current of more than 60 mA at the PF-AR. This is the first successful beam injection using a single PQM in electron storage rings.

Power supplies for the injector synchrotron quadrupoles and sextupoles

International Nuclear Information System (INIS)

Fathizadeh, M.

1995-01-01

This light source note will describe the power supplies for the injector synchrotron quadrupole and sextupole magnets. The injector synchrotron has two families of quadrupole magnets. Each family consists of 40 quadrupole magnets connected in series. These magnets are energized by two phase-controlled, 12-pulse power supplies. Therefore, each power supply will be rated to deliver the necessary power to only 40 quadrupole magnets. The two families of sextupole magnets in the injector synchrotron each consists of 32 sextupole magnets connected in series, powered by a phase-controlled power supply. Thus, each power supply shall be capable of delivering power to only 32 sextupole magnets

Stability considerations of permanent magnet quadrupoles for CESR phase-III upgrade

Directory of Open Access Journals (Sweden)

W. Lou

1998-06-01

Full Text Available The Cornell electron storage ring (CESR phase-III upgrade plan includes very strong permanent magnet quadrupoles in front of the cryostat for the superconducting quadrupoles and physically as close as possible to the interaction point. Together with the superconducting quadrupoles, they provide tighter vertical focusing at the interaction point. The quadrupoles are built with neodymium iron boron (NdFeB material and operate inside the 15 kG solenoid field. Requirements on the field quality and stability of these quadrupoles are discussed and test results are presented.

Identification of metabolites of Helicid in vivo using ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Diao, Xinpeng; Liao, Man; Cheng, Xiaoye; Liang, Caijuan; Sun, Yupeng; Zhang, Xia; Zhang, Lantong

2018-04-18

Helicid is an active natural aromatic phenolic glycoside ingredient originating from well-known traditional Chinese herb medicine and has the significant effects of sedative hypnosis, anti-inflammatory analgesia and antidepressant. In this study, we analyzed the potential metabolites of Helicid in rats by multiple mass defect filter (MMDF)and dynamic background subtraction (DBS)in ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS). Moreover, we used a novel data processing method 'key product ions (KPIs)' to rapidly detect and identifymetabolites as an assistant tool. MetabolitePilot TM 2.0 software and PeakView TM 2.2 software were used for analyzing metabolites. Twenty metabolites of Helicid (including 15 phase I metabolites and 5 phase II metabolites) were detected by comparing with the blank samples, respectively. Thebiotransformationroute of Helicid was identified as demethylation, oxidation, dehydroxylation, hydrogenation, decarbonylation,glucuronide conjugation and methylation.This is the first study of simultaneously detecting and identifying Helicid metabolism in rats by employing UHPLC-Q-TOF-MS technology. This experiment not only proposed a method for rapidly detecting and identifying metabolites, but also provided useful information for further study of the pharmacology and mechanism of Helicid in vivo. Furthermore, it provided an effective method for the analysis of other aromatic phenolic glycosides metabolic components in vivo. This article is protected by copyright. All rights reserved.

Compact quadrupole triplet for the S-DALINAC polarized electron injector SPIN

Energy Technology Data Exchange (ETDEWEB)

Eckardt, C.; Eichhorn, R.; Enders, J.; Hessler, C.; Poltoratska, Y. [Inst. fuer Kernphysik, Technische Univ. Darmstadt (Germany); Ackermann, W.; Mueller, W.F.O.; Steiner, B.; Weiland, T. [Inst. fuer Theorie Elektromagnetischer Felder, Technische Univ. Darmstadt (Germany)

2007-07-01

An ultra compact quadrupole triplet for the S-DALINAC Polarized Electron Injector SPIN has been developed. This development is due to limiting spatial restrictions. Each individual quadrupole has a length of 8 mm, affixed by two 2 mm aluminum plates, resulting in a length of only 12 mm per quadrupole. The gaps between each quadrupole are set to 18 mm, therefore the complete triplet has a total length of only 72 mm. The quadrupole design includes a large aperture, suitable for CF 35 beam pipes. As fringe fields reach far info neighboring yokes, the assembly requires simulation by a beam dynamics tool for optimal weighting of the current excitation. Measurement of the magnetic field distribution is compared to numerical values and the quadrupole strength is calculated. (orig.)

Development and manufacturing of a Nb$_{3}$Sn quadrupole magnet Model at CEA/Saclay for TESLA Interaction Region

CERN Document Server

Durante, Maria; Fratini, M; Leboeuf, D; Segreti, M; Védrine, Pierre; 10.1109/TASC.2004.829129

2004-01-01

One possible application of Nb/sub 3/Sn, whose superconducting properties far exceed those of NbTi, is the fabrication of short and powerful quadrupole magnets for the interaction regions of large particle accelerators. In some projects, as in the future linear collider TESLA, the quadrupole magnets are inside the detector solenoid and must operate in its background field. This situation gives singular Lorentz force distribution in the ends of the magnet. To learn about Nb/sub 3/Sn technology, evaluate fabrication techniques and test the interaction with a solenoidal field, DAPNIA /SACM at CEA/Saclay has started the manufacturing of a 1-m-long, 56- mm-single-aperture quadrupole magnet model. The model relies on the same coil geometry as the LHC arc quadrupole magnets, but has no iron yoke. It will produce a nominal field gradient of 211 T/m at 11,870 A. The coils are wound from Rutherford-type cables insulated with glass fiber tape, before being heat-treated and vacuum-impregnated with epoxy resin. Laminated,...

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

Czech Academy of Sciences Publication Activity Database

Žáček, Petr; Bukowski, M.; Rosenberger, T. A.; Picklo, M.

2016-01-01

Roč. 57, č. 12 (2016), s. 2225-2234 ISSN 0022-2275 Institutional support: RVO:61388963 Keywords : shotgun lipidomics * triple quadrupole/ion-trap * human blood plasma * phosphatidylcholines Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 4.810, year: 2016 http://www.jlr.org/content/57/12/2225.full

Nuclear quadrupole interaction measurements of 19F* and 22Na* on Graphite

International Nuclear Information System (INIS)

Djoko-Surono, Th; Martin, Peter W

1996-01-01

Time differential perturbed angular distribution (TDPAD) technique has been used to investigate nuclear quadrupole interactions of 19 F * and 22 Na * in graphite. We concentrated the measurements on pseudo single crystal graphite called Highly Oriented Pyrolytic Graphite for it has an ordered structure in which the c-axes of the microcrystals aligned in a certain direction with the mosaic spread less than 1 o , while the a- and b-axes randomly oriented on a plane perpendicular to the c-axes. Interactions between quadrupole moment of 19 F * and 22 Na * with its surroundings electric field gradient were studied by detecting the γ-rays distribution, W(Θ,t). For 1 9F * we found one static interaction. The corresponding electric field gradient was V zz =3.24(19)x10 22 V/m 2 . In the case of 22 Na * we found no evidence of nuclear quadrupole interaction, however, we were able to conclude that |QV 22 | 19 bV/m 2 . Using theoretical calculation Q=0.06 barn, we find that |V zz | 20 V/m 2 . These results indicate that the value efg depend on two factors, the host crystal and the core electrons. The core electrons contribution to the total efg is considerably large

Analysis of 3,5-dichloroaniline as a biomarker of vinclozolin and iprodione in human urine using liquid chromatography/triple quadrupole mass spectrometry.

Science.gov (United States)

Lindh, Christian H; Littorin, Margareta; Amilon, Asa; Jönsson, Bo A G

2007-01-01

The fungicides vinclozolin and iprodione are widely used in agriculture. These pesticides are dicarboximide fungicides containing the common moiety 3,5-dichloroaniline (3,5-DCA). It has been suggested that low-level exposures to such compounds may be associated with adverse health effects such as endocrine disruption. In this study a method using liquid chromatography/triple quadrupole mass spectrometry (LC/MS/MS) was developed for the analysis of 3,5-DCA as a biomarker of exposure to these fungicides in human urine. The urine samples were treated by basic hydrolysis to degrade the fungicides, their metabolites and conjugates to 3,5-DCA. The 3,5-DCA was then extracted using toluene and derivatized using pentafluoropropionic anhydride (PFPA). Analysis of the derivative was carried out using selected reaction monitoring (SRM) in the negative ion mode. Quantification of the derivative was performed using [(13)C(6)]-labeled 3,4-DCA as an internal standard with good precision and linearity in the range 0.1-200 ng/mL urine. The limit of detection was determined to be 0.1 ng/mL. The metabolites in urine were found to be stable during storage at -20 degrees C. To validate 3,5-DCA as a biomarker the method was applied in a human experimental exposure to iprodione and vinclozolin. Two healthy volunteers received 200 microg single oral doses of each pesticide followed by urine sampling during 72-120 h post-exposure. Between 78-107% of the dose was recovered as 3,5-DCA in the urine after exposure. Copyright (c) 2007 John Wiley & Sons, Ltd.

Variable Permanent Magnet Quadrupole

International Nuclear Information System (INIS)

Mihara, T.; Iwashita, Y.; Kyoto U.; Kumada, M.; NIRS, Chiba; Spencer, C.M.; SLAC

2007-01-01

A permanent magnet quadrupole (PMQ) is one of the candidates for the final focus lens in a linear collider. An over 120 T/m strong variable permanent magnet quadrupole is achieved by the introduction of saturated iron and a 'double ring structure'. A fabricated PMQ achieved 24 T integrated gradient with 20 mm bore diameter, 100 mm magnet diameter and 20 cm pole length. The strength of the PMQ is adjustable in 1.4 T steps, due to its 'double ring structure': the PMQ is split into two nested rings; the outer ring is sliced along the beam line into four parts and is rotated to change the strength. This paper describes the variable PMQ from fabrication to recent adjustments

Electrostatic quadrupole array for focusing parallel beams of charged particles

International Nuclear Information System (INIS)

Brodowski, J.

1982-01-01

An array of electrostatic quadrupoles, capable of providing strong electrostatic focusing simultaneously on multiple beams, is easily fabricated from a single array element comprising a support rod and multiple electrodes spaced at intervals along the rod. The rods are secured to four terminals which are isolated by only four insulators. This structure requires bias voltage to be supplied to only two terminals and eliminates the need for individual electrode bias and insulators, as well as increases life by eliminating beam plating of insulators

The giant quadrupole resonance in highly excited rotating nuclei

International Nuclear Information System (INIS)

Civitarese, O.; Furui, S.; Ploszajczak, M.; Faessler, A.

1983-01-01

The giant quadrupole resonance in highly excited, fast rotating nuclei is studied as a function of both the nuclear temperature and the nuclear angular momentum. The photo-absorption cross sections for quadrupole radiation in 156 Dy, 160 Er and 164 Er are evaluated within the linear response theory. The strength functions of the γ-ray spectrum obtained from the decay of highly excited nuclear states by deexcitation of the isoscalar quadrupole mode show a fine structure, which depends on the temperature T, the angular momentum I and the deformation of the nucleus β. The splitting of the modes associated with the signature-conserving and signature-changing components of the quadrupole field is discussed. (orig.)

Electromagnetic design of superconducting quadrupoles

Directory of Open Access Journals (Sweden)

L. Rossi

2006-10-01

Full Text Available We study how the critical gradient depends on the coil layout in a superconducting quadrupole for particle accelerators. We show that the results relative to a simple sector coil are well representative of the coil layouts that have been used to build several quadrupoles in the past 30 years. Using a semianalytical approach, we derive a formula that gives the critical gradient as a function of the coil cross-sectional area, of the magnet aperture, and of the superconducting cable parameters. This formula is used to evaluate the efficiency of several types of coil layouts (shell, racetrack, block, open midplane.

Effect of dipole-quadrupole Robinson mode coupling upon the beam response to radio-frequency phase noise

Directory of Open Access Journals (Sweden)

R. A. Bosch

2006-09-01

Full Text Available In an electron storage ring, coupling between dipole and quadrupole Robinson oscillations modifies the spectrum of longitudinal beam oscillations driven by radio-frequency (rf generator phase noise. In addition to the main peak at the resonant frequency of the coupled dipole Robinson mode, another peak occurs at the resonant frequency of the coupled quadrupole mode. To describe these peaks analytically for a quadratic synchrotron potential, we include the dipole and quadrupole modes when calculating the beam response to generator noise. We thereby obtain the transfer function from generator-noise phase modulation to beam phase modulation with and without phase feedback. For Robinson-stable bunches confined in a synchrotron potential with a single minimum, the calculated transfer function agrees with measurements at the Aladdin 800-MeV electron storage ring. The transfer function is useful in evaluating phase feedback that suppresses Robinson oscillations in order to obtain quiet operation of an infrared beam line.

A united phenomenological description of quadrupole excitations in even-even nuclei

International Nuclear Information System (INIS)

Lipas, P.O.; Haapakoski, P.; Honkaranta, T.

1975-05-01

A phenomenological model is developed for the collective quadrupole properties of all even-even nuclei. Rotational, vibrational, and transitional nuclei are included in the model on an equal footing. A Bohr-type intrinsic Hamiltonian for harmonic quadrupole vibrations about an axially deformed shape is solved exactly. States of good angular momentum are projected out of the intrinsic states, and they are made orthogonal by a Schmidt scheme. The angular-momentum and phonon-number composition of the states is analyzed at various stages; states with K=1 are found spurious. Excitation energies for the ground, β and γ bands are calculated as expectation values of a radically simplified nuclear Hamiltonian in our projected and orthogonalized states. With increasing deformation the calculated energies evolve smoothly from the evenly spaced phonon spectrum to the Bohr-Mottelson rotational-vibrational spectrum according to the scheme of Sheline and Sakai. The basic model contains only two parameters (deformation d and energy scale) to fix the entire quadrupole spectrum of a nucleus. The results are given in the form of graphs suitable for immediate application; numerical results are readily produced by our computer code. The ground bands are fitted comparably to the VMI model, while the β and γ bands are reproduced qualitatively. The nuclei 152 Sm, 152 Gd, and 114 Cd are used as test cases. Quadrupole moments and E2 transition rates are also calculated. Intra-ground-band transition ratios and branching ratios from the β and γ bands are given in terms of the single parameter d. The results are applied to 152 Sm, with fair success. Finally the model to include two more parameters (anisotropy) is extended. The improvement over the basic model is modest in view of added parameters and computational effort. (author)

Nuclear electric quadrupole interactions in liquids entrapped in cavities

Energy Technology Data Exchange (ETDEWEB)

Furman, Gregory B., E-mail: gregoryf@bgu.ac.il; Meerovich, Victor M.; Sokolovsky, Vladimir L. [Ben Gurion University of the Negev, Physics Department (Israel)

2016-12-15

Liquids entrapped in cavities and containing quadrupole nuclei are considered. The interaction of the quadrupole moment of a nucleus with the electric field gradient is studied. In such a system, molecules are in both rotational and translational Brownian motions which are described by the diffusion equation. Solving this equation, we show that the intra- and intermolecular nuclear quadrupole interactions are averaged to zero in cavities with the size larger than several angstroms.

Maximum entropy decomposition of quadrupole mass spectra

International Nuclear Information System (INIS)

Toussaint, U. von; Dose, V.; Golan, A.

2004-01-01

We present an information-theoretic method called generalized maximum entropy (GME) for decomposing mass spectra of gas mixtures from noisy measurements. In this GME approach to the noisy, underdetermined inverse problem, the joint entropies of concentration, cracking, and noise probabilities are maximized subject to the measured data. This provides a robust estimation for the unknown cracking patterns and the concentrations of the contributing molecules. The method is applied to mass spectroscopic data of hydrocarbons, and the estimates are compared with those received from a Bayesian approach. We show that the GME method is efficient and is computationally fast

Lead isotope ratio analysis of bullet samples by using quadrupole ICP-MS

International Nuclear Information System (INIS)

Tamura, Shu-ichi; Hokura, Akiko; Nakai, Izumi; Oishi, Masahiro

2006-01-01

The measurement conditions for the precise analysis of the lead stable isotope ratio by using an ICP-MS equipped with a quadrupole mass spectrometer were studied in order to apply the technique to the forensic identification of bullet samples. The values of the relative standard deviation obtained for the ratio of 208 Pb/ 206 Pb, 207 Pb/ 206 Pb and 204 Pb/ 206 Pb were lower than 0.2% after optimization of the analytical conditions, including the optimum lead concentration of the sample solution to be about 70 ppb and an integration time for 1 m/s of 15 s. This method was applied to an analysis of lead in bullets for rifles and handguns; a stable isotope ratio of lead was found to be suitable for the identification of bullets. This study has demonstrated that the lead isotope ratio measured by using a quadrupole ICP-MS was useful for a practical analysis of bullet samples in forensic science. (author)

Quantitative analysis of veterinary drugs in bovine muscle and milk by liquid chromatography quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Saito-Shida, Shizuka; Sakai, Takatoshi; Nemoto, Satoru; Akiyama, Hiroshi

2017-07-01

A simple and reliable multiresidue method for quantitative determination of veterinary drugs in bovine muscle and milk using liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QTOF-MS) was developed. Critical MS parameters such as capillary voltage, cone voltage, collision energy, desolvation gas temperature and extraction mass window were carefully optimised to obtain the best possible sensitivity. Analytical samples were prepared using extraction with acetonitrile and hexane in the presence of anhydrous sodium sulphate and acetic acid, followed by ODS cartridge clean-up. The developed method was validated for 82 veterinary drugs in bovine muscle and milk at spike levels of 0.01 and 0.1 mg kg - 1 . With the exception of cefoperazone and phenoxymethylpenicillin, all these compounds exhibited sufficient signal intensity at 0.01 μg ml -1 (equivalent to 0.01 mg kg - 1 ), indicating the high sensitivity of the developed method. For most targets, the determined accuracies were within 70-120%, with repeatability and reproducibility being below 20% at both levels. Except for sulfathiazole in bovine muscle, no interfering peaks at target compound retention times were detected in the blank extract, indicating that the developed method is highly selective. The absence of sulfathiazole in bovine muscle was confirmed by simultaneous acquisition at low and high collision energies to afford exact masses of molecular adduct and fragment ions. Satisfactory linearity was observed for all compounds, with matrix effects being negligible for most targets in bovine muscle and milk at both spike levels. Overall, the results suggest that the developed LC-QTOF-MS method is suitable for routine regulatory-purpose analysis of veterinary drugs in bovine muscle and milk.

High-Precision Direct Mass Determination of Unstable Isotopes

CERN Multimedia

2002-01-01

The extension of systematic high-precision measurements of the nuclear mass to nuclei far from the valley of $\\beta$ stability is of great interest in nuclear physics and astrophysics. The mass, or binding energy, is a fundamental gross property and a key input parameter for nuclear matter calculations. It is also a sensitive probe for collective and single-particle effects in nuclear structure. \\\\ \\\\ For such purposes, nuclear masses need to be known to an accuracy of about 10$^{-7}$ (i.e. $\\Delta$M~$\\leq$~10~keV for A~=~100). To resolve a particular mass from its nuclear isomers and isobars, resolving power of 10$^6$ are often required. To achieve this, the ions delivered by the on-line mass separator ISOLDE are confined in a Penning quadrupole trap. This trap is placed in the very homogeneous and stable magnetic field of a superconducting magnet. Here, the cyclotron frequency and hence the mass are determined. \\\\ \\\\ The first measurements using this new technique have been completed for a long chain of Cs ...

A generic approach for expanding homolog-targeted residue screening of sulfonamides using a fast matrix separation and class-specific fragmentation-dependent acquisition with a hybrid quadrupole-linear ion trap mass spectrometer

International Nuclear Information System (INIS)

Huang Chunlin; Guo Bin; Wang Xiaoying; Li Jie; Zhu Weitao; Chen Bo; Ouyang Shan; Yao Shouzhuo

2012-01-01

Highlights: ► Generic homolog-targeted screening approach for multi-residual sulfonamide analogs. ► Single-tube extraction/partitioning-multifunction adsorption cleanup for direct injection. ► Class-specific fragmentation for expanding coverage of N 4 -acetyl and N-OH metabolites. ► PreS–IDA–EPI in LC–QqLIT for simultaneous screening and confirmation of real samples. - Abstract: A generic and efficient homolog-targeted approach was used to expand screening and detection of target class of sulfonamides and structural analogs, based on a fast single-tube extraction/partitioning-multifunction adsorption cleanup (SEP/MAC) for class-specific fragmentation-dependent acquisition with a liquid chromatography–hybrid triple-quadrupole linear ion trap mass spectrometer (LC–QqLIT). By combining the two-stage process conducted in a single tube as one-pot protocol, the straightforward SEP/MAC procedure was optimized to offer clean extracts with reasonable recovery (71–109% with RSDs 4 -acetyl and hydroxylamine metabolites plus their possible dimers. Moreover, the PreS-triggered automatically enhanced product ion spectral acquisition enabled simultaneous screening, profiling and confirmation of an unlimited number of analytes belonging to the sulfonamide class within a single analysis. The validation and application results of the generic SEP/MAC-based LC–QqLIT strategy consistently demonstrated favorable performances with acceptable accuracy (67–116%), precision (RSDs −1 ) to meet the acceptance criteria for all the sulfonamide–tissue combinations. Thus, the integration of the matrix-independent SEP/MAC procedure and the multiparameter matching algorithm with the unit-resolution LC–QqLIT instrument can serve as a valuable semi-targeted discovery strategy for rapid screening and reliable quantitative/confirmatory analysis of real samples.

Liquid chromatography/quadrupole-time-of-flight mass spectrometry with metabolic profiling of human urine as a tool for environmental analysis of dextromethorphan.

Science.gov (United States)

Thurman, E Michael; Ferrer, Imma

2012-10-12

We use the combination of liquid chromatography/quadrupole-time-of-flight mass spectrometry (LC/Q-TOF-MS) and urine metabolic profiling to find and identify the metabolites of dextromethorphan, a common over-the-counter (OTC) cough suppressant. Next, we use the combination of ion masses, their MS/MS fragmentation, and retention times to determine dextromethorphan and its metabolites in surface water impacted by wastewater. Prior to this study, neither dextromethorphan nor its metabolites have been reported in surface water; in spite of its common use in over 100 various OTC medications. We found that the concentration of the dextrorphan metabolite in surface water greatly exceeded the parent compound by factors of 5-10 times, which reflects the urine profile, where parent compound is approximately <2% of the total excreted drug based on ion intensities. Urine profiling also indicated that glucuronide metabolites are major phase 2 products (92% of the total) in urine and then are completely hydrolyzed in wastewater to dextrorphan and N-demethyldextrorphan, which are phase 1 metabolites-a "kind of reversal" of human metabolism. Copyright © 2012 Elsevier B.V. All rights reserved.

Wide-Scope Screening Method for Multiclass Veterinary Drug Residues in Fish, Shrimp, and Eel Using Liquid Chromatography-Quadrupole High-Resolution Mass Spectrometry.

Science.gov (United States)

Turnipseed, Sherri B; Storey, Joseph M; Lohne, Jack J; Andersen, Wendy C; Burger, Robert; Johnson, Aaron S; Madson, Mark R

2017-08-30

A screening method for veterinary drug residues in fish, shrimp, and eel using LC with a high-resolution MS instrument has been developed and validated. The method was optimized for over 70 test compounds representing a variety of veterinary drug classes. Tissues were extracted by vortex mixing with acetonitrile acidified with 2% acetic acid and 0.2% p-toluenesulfonic acid. A centrifuged portion of the extract was passed through a novel solid phase extraction cartridge designed to remove interfering matrix components from tissue extracts. The eluent was then evaporated and reconstituted for analysis. Data were collected with a quadrupole-Orbitrap high-resolution mass spectrometer using both nontargeted and targeted acquisition methods. Residues were detected on the basis of the exact mass of the precursor and a product ion along with isotope pattern and retention time matching. Semiquantitative data analysis compared MS 1 signal to a one-point extracted matrix standard at a target testing level. The test compounds were detected and identified in salmon, tilapia, catfish, shrimp, and eel extracts fortified at the target testing levels. Fish dosed with selected analytes and aquaculture samples previously found to contain residues were also analyzed. The screening method can be expanded to monitor for an additional >260 veterinary drugs on the basis of exact mass measurements and retention times.

THE FORTUITOUS LATITUDE OF THE PIERRE AUGER OBSERVATORY AND TELESCOPE ARRAY FOR RECONSTRUCTING THE QUADRUPOLE MOMENT

International Nuclear Information System (INIS)

Denton, Peter B.; Weiler, Thomas J.

2015-01-01

Determining anisotropies in the arrival directions of cosmic rays at the highest energy is an important task in astrophysics. It is common and useful to partition the sky into spherical harmonics as a measure of anisotropy. The two lowest nontrivial spherical harmonics, the dipole and the quadrupole, are of particular interest, since these distributions encapsulate a dominant single source and a plane of sources, as well as offering relatively high statistics. The best experiments for the detection of ultra high energy cosmic rays currently are all ground-based, with highly nonuniform exposures on the sky resulting from the fixed experimental locations on the Earth. This nonuniform exposure increases the complexity and error in inferring anisotropies. It turns out that there is an optimal latitude for an experiment at which nonuniform exposure does not diminish the inference of the quadrupole moment. We derive the optimal latitude and find that (presumably by a fortuitous coincidence) this optimal latitude runs through the largest cosmic ray experiment, the Pierre Auger Observatory (PAO) in the Southern Hemisphere, and close to the largest cosmic ray experiment in the Northern Hemisphere, the Telescope Array (TA). Consequently, assuming a quadrupole distribution, PAO and TA can reconstruct the cosmic ray quadrupole distribution to a high precision without concern for their partial sky exposure

PRINCIPLE OF SKEW QUADRUPOLE MODULATION TO MEASURE BETATRON COUPLING

International Nuclear Information System (INIS)

LUO, Y.; PILAT, F.; ROSER, T.

2004-01-01

The measurement of the residual betatron coupling via skew quadrupole modulation is a new diagnostics technique that has been developed and tested at the Relativistic Heavy Ion Collider (RHIC) as a very promising method for the linear decoupling on the ramp. By modulating the strengths of different skew quadrupole families the two eigentunes are precisely measured with the phase lock loop system. The projections of the residual coupling coefficient onto the skew quadrupole coupling modulation directions are determined. The residual linear coupling could be corrected according to the measurement. An analytical solution for skew quadrupole modulation based on Hamiltonian perturbation approximation is given, and simulation code using smooth accelerator model is also developed. Some issues concerning the practical applications of this technique are discussed

SKEW QUADRUPOLE FOCUSING LATTICES AND APPLICATIONS

International Nuclear Information System (INIS)

Parker, B.

2001-01-01

In this paper we revisit using skew quadrupole fields in place of traditional normal upright quadrupole fields to make beam focusing structures. We illustrate by example skew lattice decoupling, dispersion suppression and chromatic correction using the neutrino factory Study-II muon storage ring design. Ongoing BNL investigation of flat coil magnet structures that allow building a very compact muon storage ring arc and other flat coil configurations that might bring significant magnet cost reduction to a VLHC motivate our study of skew focusing

MEQALAC: (multiple electrostatic quadrupole linac): a new approach to low beta rf acceleration

International Nuclear Information System (INIS)

Mobley, R.M.; Brodowski, J.J.; Gammel, G.M.; Keane, J.T.; Maschka, A.W.; Sanders, R.T.

1980-01-01

MEQALAC is an acronym for a multiple-beam electrostatic-quadrupole array linear accelerator. The principle of operation is very simple. It makes use of the fact that electrostatic quadrupoles focus more effectively at low velocities than conventional magnetic quadrupoles. Moreover, the pole-tip field of an electrostatic quadrupole is limited by field emission of electrons, and is not a function of the size of the quadrupole. Conventional magnetic quadrupoles, on the other hand, require increasingly high current densities if one attempts to scale to smaller size

Beam-based alignment of C-shaped quadrupole magnets

International Nuclear Information System (INIS)

Portmann, G.; Robin, D.

1998-06-01

Many storage rings have implemented a method of finding the positional offset between the electrical center of the beam position monitors (BPM) and the magnetic center of the adjacent quadrupole magnets. The algorithm for accomplishing this is usually based on modulating the current in the quadrupole magnet and finding the beam position that minimizes the orbit perturbation. When the quadrupole magnet is C-shaped, as it is for many light sources, the modulation method can produce an erroneous measurement of the magnetic center in the horizontal plane. When the current in a C-shaped quadrupole is changed, there is an additional dipole component in the vertical field. Due to nonlinearities in the hysteresis cycle of the C-magnet geometry, the beam-based alignment technique at the Advanced Light Source (ALS) deviated horizontally by .5 mm from the actual magnetic center. By modifying the technique, the offsets were measured to an accuracy of better than 50 microm

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

Science.gov (United States)

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.

Nuclei quadrupole coupling constants in diatomic molecule

International Nuclear Information System (INIS)

Ivanov, A.I.; Rebane, T.K.

1993-01-01

An approximate relationship between the constants of quadrupole interaction of nuclei in a two-atom molecule is found. It enabled to establish proportionality of oscillatory-rotation corrections to these constants for both nuclei in the molecule. Similar results were obtained for the factors of electrical dipole-quadrupole screening of nuclei. Applicability of these relationships is proven by the example of lithium deuteride molecule. 4 refs., 1 tab

Extracting the Omega- electric quadrupole moment from lattice QCD data

Energy Technology Data Exchange (ETDEWEB)

G. Ramalho, M.T. Pena

2011-03-01

The Omega- has an extremely long lifetime, and is the most stable of the baryons with spin 3/2. Therefore the Omega- magnetic moment is very accurately known. Nevertheless, its electric quadrupole moment was never measured, although estimates exist in different formalisms. In principle, lattice QCD simulations provide at present the most appropriate way to estimate the Omega- form factors, as function of the square of the transferred four-momentum, Q2, since it describes baryon systems at the physical mass for the strange quark. However, lattice QCD form factors, and in particular GE2, are determined at finite Q2 only, and the extraction of the electric quadrupole moment, Q_Omega= GE2(0) e/(2 M_Omega), involves an extrapolation of the numerical lattice results. In this work we reproduce the lattice QCD data with a covariant spectator quark model for Omega- which includes a mixture of S and two D states for the relative quark-diquark motion. Once the model is calibrated, it is used to determine Q_Omega. Our prediction is Q_Omega= (0.96 +/- 0.02)*10^(-2) efm2 [GE2(0)=0.680 +/- 0.012].

Variable-field permanent-magnet quadrupole for the SSC

International Nuclear Information System (INIS)

Barlow, D.B.; Kraus, R.H. Jr.; Martinez, R.P.; Meyer, R.E.

1994-01-01

A set of compact variable-field permanent-magnet quadrupoles have been designed, fabricated, and tested for use in the SSC linac matching section. The quadrupoles have 24 mm-diameter apertures and 40 mm-long poles. The hybrid (permanent-magnet and iron) design, uses a fixed core of magnet material (NdFeB) and iron (C-1006) surrounded by a rotating ring of the same magnet material and iron. The quadrupole gradient-length product can be smoothly varied from a minimum of 0.7 T up to a maximum of 4.3 T by a 90 degree rotation of the outer ring of iron and magnet material

Variable-field permanent magnet quadrupole for the SSC

International Nuclear Information System (INIS)

Barlow, D.B.; Kraus, R.H. Jr.; Martinez, R.P.; Meyer, R.E.

1993-01-01

A set of compact variable-field permanent-magnet quadrupoles have been designed, fabricated, and tested for use In the SSC linac matching section. The quadrupoles have 24 mm-diameter apertures and 40 mm-long poles. The hybrid (permanent-magnet and iron) design, uses a fixed core of magnet material (NdFeB) and iron (C-1006) surrounded by a rotating ring of the same magnet material and iron. The quadrupole gradient-length product can be smoothly varied from a minimum of 0.7 T up to a maximum, of 4.3 T by a 90 degrees rotation of the outer ring of iron and magnet material

Liquid chromatographic/electrospray ionization quadrupole/time of flight tandem mass spectrometric study of polyphenolic composition of different Vaccinium berry species and their comparative evaluation.

Science.gov (United States)

Ancillotti, Claudia; Ciofi, Lorenzo; Rossini, Daniele; Chiuminatto, Ugo; Stahl-Zeng, Jianru; Orlandini, Serena; Furlanetto, Sandra; Del Bubba, Massimo

2017-02-01

Ultra-high-performance liquid chromatography coupled with high-resolution quadrupole-time of flight mass spectrometry with both negative and positive ionization was used for comprehensively investigating the phenolic and polyphenolic compounds in berries from three spontaneous or cultivated Vaccinium species (i.e., Vaccinium myrtillus, Vaccinium uliginosum subsp. gaultherioides, and Vaccinium corymbosum). More than 200 analytes, among phenolic and polyphenolic compounds belonging to the classes of anthocyanins, monomeric and oligomeric flavonols, flavanols, dihydrochalcones, phenolic acids, together with other polyphenolic compounds of mixed structural characteristics, were identified. Some of the polyphenols herein investigated, such as anthocyanidin glucuronides and malvidin-feruloyl-hexosides in V. myrtillus, or anthocyanindin aldopentosides and coumaroyl-hexosides in V. uliginosum subsp. gaultherioides and a large number of proanthocyanidins with high molecular weight in all species, were described for the first time in these berries. Principal component analysis applied on original LC-TOF data, acquired in survey scan mode, successfully discriminated the three Vaccinium berry species investigated, on the basis of their polyphenolic composition, underlying one more time the fundamental role of mass spectrometry for food characterization.

Distribution patterns of flavonoids from three Momordica species by ultra-high performance liquid chromatography quadrupole time of flight mass spectrometry: a metabolomic profiling approach

Directory of Open Access Journals (Sweden)

Ntakadzeni Edwin Madala

Full Text Available ABSTRACT Plants from the Momordica genus, Curcubitaceae, are used for several purposes, especially for their nutritional and medicinal properties. Commonly known as bitter gourds, melon and cucumber, these plants are characterized by a bitter taste owing to the large content of cucurbitacin compounds. However, several reports have shown an undisputed correlation between the therapeutic activities and polyphenolic flavonoid content. Using ultra-high performance liquid chromatography quadrupole time of flight mass spectrometry in combination with multivariate data models such as principal component analysis and hierarchical cluster analysis, three Momordica species (M. foetida Schumach., M. charantia L. and M. balsamina L. were chemo-taxonomically grouped based on their flavonoid content. Using a conventional mass spectrometric-based approach, thirteen flavonoids were tentatively identified and the three species were found to contain different isomers of the quercetin-, kaempferol- and isorhamnetin-O-glycosides. Our results indicate that Momordica species are overall very rich sources of flavonoids but do contain different forms thereof. Furthermore, to the best of our knowledge, this is a first report on the flavonoid content of M. balsamina L.

Airfoil sampling of a pulsed Laval beam with tunable vacuum ultraviolet synchrotron ionization quadrupole mass spectrometry: application to low-temperature kinetics and product detection.

Science.gov (United States)

Soorkia, Satchin; Liu, Chen-Lin; Savee, John D; Ferrell, Sarah J; Leone, Stephen R; Wilson, Kevin R

2011-12-01

A new pulsed Laval nozzle apparatus with vacuum ultraviolet (VUV) synchrotron photoionization quadrupole mass spectrometry is constructed to study low-temperature radical-neutral chemical reactions of importance for modeling the atmosphere of Titan and the outer planets. A design for the sampling geometry of a pulsed Laval nozzle expansion has been developed that operates successfully for the determination of rate coefficients by time-resolved mass spectrometry. The new concept employs airfoil sampling of the collimated expansion with excellent sampling throughput. Time-resolved profiles of the high Mach number gas flow obtained by photoionization signals show that perturbation of the collimated expansion by the airfoil is negligible. The reaction of C(2)H with C(2)H(2) is studied at 70 K as a proof-of-principle result for both low-temperature rate coefficient measurements and product identification based on the photoionization spectrum of the reaction product versus VUV photon energy. This approach can be used to provide new insights into reaction mechanisms occurring at kinetic rates close to the collision-determined limit.

Direct Laser Ablation and Ionization of Solids for Chemical Analysis by Mass Spectrometry

Energy Technology Data Exchange (ETDEWEB)

Holt, J K; Nelson, E J; Klunder, G L [Forensic Science Center, Lawrence Livermore National Laboratory, Livermore, CA 94551 (United States)

2007-04-15

A laser ablation/ionization mass spectrometer system is described for the direct chemical analysis of solids. An Nd:YAG laser is used for ablation and ionization of the sample in a quadrupole ion trap operated in an ion-storage (IS) mode that is coupled with a reflectron time-of-flight mass spectrometer (TOF-MS). Single pulse experiments have demonstrated simultaneous detection of up to 14 elements present in glasses in the ppm range. However, detection of the components has produced non-stoichiometric results due to difference in ionization potentials and fractionation effects. Time-of-flight secondary ionization mass spectrometry (TOF-SIMS) was used to spatially map elemental species on the surface and provide further evidence of fractionation effects. Resolution (m/{delta}m) of 1500 and detection limits of approximately 10 pg have been achieved with a single laser pulse. The system configuration and related operating principles for accurately measuring low concentrations of isotopes are described.

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.

Science.gov (United States)

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 application of headspace gas chromatography coupled to tandem quadrupole mass spectrometry for the analysis of furan in baby food samples.

Science.gov (United States)

Pugajeva, Iveta; Rozentale, Irina; Viksna, Arturs; Bartkiene, Elena; Bartkevics, Vadims

2016-12-01

Selective methodology employing a tandem quadrupole mass spectrometer coupled to a gas chromatograph with headspace autosampler (HS-GC-MS/MS) was elaborated in this study. Application of the elaborated procedure resulted in a limit of detection of 0.021μgkg(-1) and a limit of quantification of 0.071μgkg(-1). The mean recoveries during in-house validation ranged from 89% to 109%, and coefficients of variation for repeatability ranged from 4% to 11%. The proposed analytical method was applied for monitoring the furan content of 30 commercial baby food samples available on the Latvian retail market. The level of furan found in these samples varied from 0.45 to 81.9μgkg(-1), indicating that infants whose sole diet comprises baby food sold in jars and cans are exposed constantly to furan. Samples containing vegetables and meat had higher levels of furan than those containing only fruits. Copyright © 2016 Elsevier Ltd. All rights reserved.

ISR Superconducting Quadrupoles

CERN Multimedia

1977-01-01

Michel Bouvier is preparing for curing the 6-pole superconducting windings inbedded in the cylindrical wall separating liquid helium from vacuum in the quadrupole aperture. The heat for curing the epoxy glue was provided by a ramp of infrared lamps which can be seen above the slowly rotating cylinder. See also 7703512X, 7702690X.

Modification of an achromatic mass spectrometer to include transverse focusing

Energy Technology Data Exchange (ETDEWEB)

Baril, M; Noel, M

1987-08-15

Modification has been made to a magnetic mass spectrometer, comprising a magnetic prism and a parallel plane mirror, to increase its transmission and to obtain a stigmatic image. This has been done by adding two quadrupole lenses, one between the magnetic prism and the mirror to add some focusing in the transverse direction, the other after the mirror to correct the astigmatism created by the first quadrupole lens. In this paper, we derive all the parameters of the quadrupole lenses needed to ensure this objective.

Initial value gravitational quadrupole radiation theorem

International Nuclear Information System (INIS)

Winicour, J.

1987-01-01

A rigorous version of the quadrupole radiation formula is derived using the characteristic initial value formulation of a general relativistic fluid space-time. Starting from initial data for a Newtonian fluid, an algorithm is presented that determines characteristic initial data for a one-parameter family of general relativistic fluid space-times. At the initial time, a one-parameter family of space-times with this initial data osculates the evolution of the Newtonian fluid and has leading order news function equal to the third time derivative of the transverse Newtonian quadrupole moment

Theoretical investigation of flute modes in a magnetic quadrupole

International Nuclear Information System (INIS)

Wu, H.S.

1988-01-01

This research developed theories and conducted numerical investigations of electrostatic flute modes in a plasma confined in a magnetic quadrupole. Chapter I presents the discussion of relevant background. Chapter II contains a brief discussion of the basic flute-mode operator L 0 for intermediate- and low-frequency regimes. Chapter III develops a simple theory for a flute mode with frequency between the electron and ion bounce frequencies in the uniform density and temperature regions of a magnetic quadrupole. The frequency is predicted to be inversely proportional to the wave number. Chapter IV describes the kinetic approach. Chapter V contains the derivation of an eigenvalue equation for electrostatic waves with frequencies below the ion frequency in the private flux region of a magnetic quadrupole. Chapter VI develops a theory for electrostatic waves with frequency below the ion bounce frequency in the shared flux region of a magnetic quadrupole. Chapter VII contains the derivation of a dispersion equation for flute modes with frequencies between the electron and ion bounce frequencies in a plasma confined to a magnetic quadrupole. Chapter VIII presents a summary of the research described

Status of the quadrupoles for RHIC [Relativistic Heavy Ion Collider

International Nuclear Information System (INIS)

Thompson, P.A.; Cottingham, J.G.; Garber, M.

1989-01-01

The proposed Relativistic Heavy Ion Collider (RHIC) will require 408 regular arc quadrupoles. Two full size prototypes have been constructed and tested. The construction uses the single layer, collarless concept which has been successful in the RHIC dipoles. Both the magnets attained short sample current, which is 60% higher than the operating current. This corresponds to a gradient of 113 T/m with clear bore of 80 mm. The preliminary field measurements are in agreement with the calculations, with the exception of an unexpectedly large show sextupole. 2 refs., 5 figs., 1 tab

Evolution models of helium white dwarf-main-sequence star merger remnants: the mass distribution of single low-mass white dwarfs

Science.gov (United States)

Zhang, Xianfei; Hall, Philip D.; Jeffery, C. Simon; Bi, Shaolan

2018-02-01

It is not known how single white dwarfs with masses less than 0.5Msolar -- low-mass white dwarfs -- are formed. One way in which such a white dwarf might be formed is after the merger of a helium-core white dwarf with a main-sequence star that produces a red giant branch star and fails to ignite helium. We use a stellar-evolution code to compute models of the remnants of these mergers and find a relation between the pre-merger masses and the final white dwarf mass. Combining our results with a model population, we predict that the mass distribution of single low-mass white dwarfs formed through this channel spans the range 0.37 to 0.5Msolar and peaks between 0.45 and 0.46Msolar. Helium white dwarf--main-sequence star mergers can also lead to the formation of single helium white dwarfs with masses up to 0.51Msolar. In our model the Galactic formation rate of single low-mass white dwarfs through this channel is about 8.7X10^-3yr^-1. Comparing our models with observations, we find that the majority of single low-mass white dwarfs (<0.5Msolar) are formed from helium white dwarf--main-sequence star mergers, at a rate which is about $2$ per cent of the total white dwarf formation rate.

High-throughput screening of vitamins and natural antioxidants in nutraceuticals from green tea extracts by liquid chromatography coupled to quadrupole orbitrap mass spectrometry.

Science.gov (United States)

Jia, Wei; Chu, Xiaogang; Chang, James; Zhang, Feng

2015-08-07

A new analytical method was developed and validated for simultaneous analysis of 52 vitamins and natural antioxidants in nutraceutical products obtained from green tea (Camellia sinensis) extracts. The automated extraction procedure was achieved in a simple disposable pipet extraction. Ultra-high performance liquid chromatography and electrospray ionization quadrupole-Orbitrap high-resolution mass spectrometry (UHPLC Q-Orbitrap) was used for the separation and detection of all the analytes. The method was validated by taking into consideration the guidelines specified in European SANCO/12571/2013 Guideline 2013 and Commission Decision 2002/657/EC. The extraction recoveries were in a range of 84.9-112.7%, with coefficient of variation 0.99. This validated method has been successfully applied on screening of vitamins and natural antioxidants in 136 different commercial nutraceutical products from green tea extracts. Copyright © 2015 Elsevier B.V. All rights reserved.

Urinary metabolomic profiling in rats exposed to dietary di(2-ethylhexyl) phthalate (DEHP) using ultra-performance liquid chromatography quadrupole time-of-flight tandem mass spectrometry (UPLC/Q-TOF-MS).

Science.gov (United States)

Dong, Xinwen; Zhang, Yunbo; Dong, Jin; Zhao, Yue; Guo, Jipeng; Wang, Zhanju; Liu, Mingqi; Na, Xiaolin; Wang, Cheng

2017-07-01

Di(2-ethylhexyl) phthalate (DEHP) is an omnipresent environmental chemical with widespread nonoccupational human exposure through multiple ways. Although considerable efforts have been invested to investigate mechanisms of DEHP toxicity, the key metabolic biomarkers of DEHP toxicity remain to be identified. The aim of this study was to assess the urinary metabonomics of dietary DEHP in rats using the technique of ultra-performance liquid chromatography quadrupole time-of-flight tandem mass spectrometry (UPLC/Q-TOF-MS). Fourteen female Wistar rats were divided into two groups and given increasing dietary doses of DEHP for 30 consecutive days. The urinary metabolite profile was studied using ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry. Principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA) enabled clusters to be clearly separated. Eleven principal urinary metabolites were identified as contributing to the clusters. The clusters in the positive electrospray ionization (ESI) mode were xanthurenic acid, kynurenic acid, nonate, N6-methyladenosine, and L-isoleucyl-L-proline. The clusters in the negative ESI mode were hippuric acid, tetrahydrocortisol, citric acid, phenylpropionylglycine, cPA(18:2(9Z, 12Z)/0:0), and LysoPC(14:1(9Z)). The urinary metabonomic changes indicated that exposure to dietary DEHP can affect energy-related metabolism, liver and renal function, fatty acid metabolism, and cause DNA damage in rats. The findings of this study on the urinary metabolites and metabolic pathways of DEHP may form the basis for future studies on the mechanisms of toxicity of this commonly found environmental chemical.

A novel strategy for target profiling analysis of bioactive phenylethanoid glycosides in Plantago medicinal plants using ultra-performance liquid chromatography coupled with tandem quadrupole mass spectrometry.

Science.gov (United States)

Qi, Meng; Xiong, Aizhen; Geng, Fang; Yang, Li; Wang, Zhengtao

2012-06-01

Phenylethanoid glycosides are a group of phenolic compounds with diverse biological activities such as hypotensive, diuretic, and hypoglycemic effects. In this study, a target profiling analysis approach using ultra-performance liquid chromatography coupled with tandem quadrupole mass spectrometry (MS) was established on the basis of parent ion scanning for m/z 161, the characteristic product ion for phenylethanoid glycosides. It was successfully employed to discriminate the chemical composition of phenylethanoid glycosides between Plantaginis Herba and Plantaginis Semen, two medicinal parts of Plantago plants, which are widely used as herbal medicine in China. Totally, 34 phenylethanoid glycosides were characterized and tentatively identified by their retention times, MS, and tandem quadrupole MS (MS/MS) data. Combined with chemometrics analysis of principal component analysis and orthogonal projection to latent structural discriminate analysis, eight of them, especially acteoside and plantamajoside, were picked out and contributed to the chemical distinction between Plantaginis Herba and Plantaginis Semen, which might be responsible for the differences in diuretic and hypotensive effects between the two medicinal parts. This new approach for target profiling provides not only a novel idea for specific analysis of active chemical constituents in the same type, but also a promising and reference method for quality evaluation of traditional Chinese medicines. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Crossed-coil detection of two-photon excited nuclear quadrupole resonance

Science.gov (United States)

Eles, Philip T.; Michal, Carl A.

2005-08-01

Applying a recently developed theoretical framework for determining two-photon excitation Hamiltonians using average Hamiltonian theory, we calculate the excitation produced by half-resonant irradiation of the pure quadrupole resonance of a spin-3/2 system. This formalism provides expressions for the single-quantum and double-quantum nutation frequencies as well as the Bloch-Siegert shift. The dependence of the excitation strength on RF field orientation and the appearance of the free-induction signal along an axis perpendicular to the excitation field provide an unmistakable signature of two-photon excitation. We demonstrate single- and double-quantum excitation in an axially symmetric system using 35Cl in a single crystal of potassium chlorate ( ωQ = 28 MHz) with crossed-coil detection. A rotation plot verifies the orientation dependence of the two-photon excitation, and double-quantum coherences are observed directly with the application of a static external magnetic field.

Fifth-order aberrations in magnetic quadrupole-octupole systems

International Nuclear Information System (INIS)

Ling, K.M.

1990-01-01

Explicit integral expressions are given for the fifth-order geometrical aberration coefficients in rectilinear magnetic quadrupole-octupole systems used for the transport of nonrelativistic charged particle beams. The numerical values of the fifth-order geometrical aberration coefficients for a rare earth cobalt (REC) quadrupole doublet are given as an example. 26 refs., 5 figs., 4 tabs

Diagnostics of capacitively-coupled hydrocarbon plasmas for deposition of diamond-like carbon films using quadrupole mass spectrometry and Langmuir probe

Science.gov (United States)

Oda, Akinori; Fukai, Shun; Kousaka, Hiroyuki; Ohta, Takayuki

2015-09-01

Diamond-like carbon (DLC) films are the hydrogenated amorphous carbon films, which contains a mixture of sp2- and sp3-bonded carbon. The DLC films have been widely used for various applications, such as automotive, semiconductors, medical devices, since have excellent material properties in lower friction, higher chemical stability, higher hardness, higher wear resistance. Until now, numerous investigations on the DLC films using plasma assisted chemical vapor deposition have been done. For precise control of coating technique of DLC films, it is enormously important to clarify the fundamental properties in hydrocarbon plasmas, as a source of hydrocarbon ions and radicals. In this paper, the fundamental properties in a low pressure radio-frequency hydrocarbon (Ar/CH4 (1 %) gas mixture) plasmas have been diagnosed using a quadrupole mass spectrometer (HIDEN ANARYTICAL Ltd., EQP-300) and Langmuir probe system (HIDEN ANARYTICAL Ltd., ESPion). This work was partly supported by KAKENHI (No.26420247), and a ``Grant for Advanced Industrial Technology Development (No.11B06004d)'' in 2011 from the New Energy and Industrial Technology Development Organization (NEDO) of Japan.

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

Science.gov (United States)

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.

Mass Spectrometry Instrumentation in Proteomics

DEFF Research Database (Denmark)

Sprenger, Richard Remko; Roepstorff, Peter

2012-01-01

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

Pulsed flow modulation two-dimensional comprehensive gas chromatography-tandem mass spectrometry with supersonic molecular beams.

Science.gov (United States)

Poliak, Marina; Fialkov, Alexander B; Amirav, Aviv

2008-11-07

Pulsed flow modulation (PFM) two-dimensional comprehensive gas chromatography (GC x GC) was combined with quadrupole-based mass spectrometry (MS) via a supersonic molecular beam (SMB) interface using a triple-quadrupole system as the base platform, which enabled tandem mass spectrometry (MS-MS). PFM is a simple GC x GC modulator that does not consume cryogenic gases while providing tunable second GC x GC column injection time for enabling the use of quadrupole-based mass spectrometry regardless its limited scanning speed. The 20-ml/min second column flow rate involved with PFM is handled, splitless, by the SMB interface without affecting the sensitivity. The combinations of PFM GC x GC-MS with SMB and PFM GC x GC-MS-MS with SMB were explored with the analysis of diazinon and permethrin in coriander. PFM GC x GC-MS with SMB is characterized by enhanced molecular ion and tailing-free fast ion source response time. It enables universal pesticide analysis with full scan and data analysis with reconstructed single ion monitoring on the enhanced molecular ion and another prominent high mass fragment ion. The elimination of the third fragment ion used in standard three ions method results in significantly reduced matrix interference. GC x GC-MS with SMB improves the GC separation, and thereby our ability for sample identification using libraries. GC-MS-MS with SMB provides better reduction (elimination) of matrix interference than GC x GC-MS. However, it is a target method, which is not always applicable. GC x GC-MS-MS does not seem to further reduce matrix interferences over GC-MS-MS and unlike GC x GC-MS, it is incompatible with library identification, but it is beneficial to have both GC x GC and MS-MS capabilities in the same system.

Tissue-specific metabolite profiling of Cyperus rotundus L. rhizomes and (+)-nootkatone quantitation by laser microdissection, ultra-high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry, and gas chromatography-mass spectrometry techniques.

Science.gov (United States)

Jaiswal, Yogini; Liang, Zhitao; Guo, Ping; Ho, Hing-Man; Chen, Hubiao; Zhao, Zhongzhen

2014-07-23

Cyperus rotundus L. is a plant species commonly found in both India and China. The caused destruction of this plant is of critical concern for agricultural produce. Nevertheless, it can serve as a potential source of the commercially important sesquiterpenoid (+)-nootkatone. The present work describes comparative metabolite profiling and (+)-nootkatone content determination in rhizome samples collected from these two countries. Laser dissected tissues, namely, the cortex, hypodermal fiber bundles, endodermis, amphivasal vascular bundles, and whole rhizomes were analyzed by ultra-high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC-QTOF MS). Gas chromatography-mass spectrometry (GC-MS) analysis was used for profiling of essential oil constituents and quantitation of (+)-nootkatone. The content of (+)-nootkatone was found to be higher in samples from India (30.47 μg/10 g) compared to samples from China (21.72 μg/10 g). The method was validated as per International Conference on Harmonisation (ICH) guidelines (Q2 R1). The results from this study can be applied for quality control and efficient utilization of this terpenoid-rich plant for several applications in food-based industries.

SIMS device with quadrupole mass spectrometer

International Nuclear Information System (INIS)

Szigethy, D.; Riedel, M.

1980-01-01

A versatile secondary ion mass spectrometer (SIMS) has been designed and constructed. The device is applicable for dinamic and static SIMS investigations. The sputtering and ionisation can be studied simultaneously. Oil diffusion pumps and an auxiliary ion-getter pump are used. A commercial ion gun is used in the working chamber. The secondary ion optics assures the preliminary filtering of fast ions, and the collection of sputtered ions for a separate microprobe analysis. The performance of the apparatus is illustrated with examples. (R.J.)

Method for the elucidation of the elemental composition of low molecular mass chemicals using exact masses of product ions and neutral losses: application to environmental chemicals measured by liquid chromatography with hybrid quadrupole/time-of-flight mass spectrometry.

Science.gov (United States)

Suzuki, Shigeru; Ishii, Tetsuko; Yasuhara, Akio; Sakai, Shinichi

2005-01-01

A method for elucidating the elemental compositions of low molecular weight chemicals, based primarily on mass measurements made using liquid chromatography (LC) with time-of-flight mass spectrometry (TOFMS) and quadrupole/time-of-flight mass spectrometry (LC/QTOFMS), was developed and tested for 113 chemicals of environmental interest with molecular masses up to approximately 400 Da. As the algorithm incorporating the method is not affected by differences in the instrument used, or by the ionization method and other ionization conditions, the method is useful not only for LC/TOFMS, but also for all kinds of mass spectra measured with higher accuracy and precision (uncertainties of a few mDa) employing all ionization methods and on-line separation techniques. The method involves calculating candidate compositions for intact ionized molecules (ionized forms of the sample molecule that have lost or gained no more than a proton, i.e., [M+H](+) or [M-H](-)) as well as for fragment ions and corresponding neutral losses, and eliminating those atomic compositions for the molecules that are inconsistent with the corresponding candidate compositions of fragment ions and neutral losses. Candidate compositions were calculated for the measured masses of the intact ionized molecules and of the fragment ions and corresponding neutral losses, using mass uncertainties of 2 and 5 mDa, respectively. Compositions proposed for the ionized molecule that did not correspond to the sum of the compositions of a candidate fragment ion and its corresponding neutral loss were discarded. One, 2-5, 6-10, 11-20, and >20 candidate compositions were found for 65%, 39%, 1%, 1%, and 0%, respectively, for the 124 ionized molecules formed from the 113 chemicals tested (both positive and negative ions were obtained from 11 of the chemicals). However, no candidate composition was found for 2% of the test cases (i.e., 3 chemicals), for each of which the measured mass of one of the product ions was in

Mass spectrometric evidence for suprathermal ionization in an inductively coupled argon plasma

International Nuclear Information System (INIS)

Houk, R.S.; Svec, H.J.; Fassel, V.A.

1981-01-01

Mass spectra have been obtained of species in the axial channel of an inductively coupled argon plasma by extracting ions from the inductively coupled plasma into a vacuum system housing a quadrupole mass spectrometer. Ionization temperatures (T/sub ion/) are obtained from relative count rates of m/z-resolved ions according to two general types of ionization equilibrium considerations: (a) the radio of doubly/singly charged ions of the same element, and (b) the ratio of singly charged ions from two elements of different ionization energy. The T/sub ion/ values derived from measurement of Ar +2 /Ar + , Ba +2 /Ba + , Sr +2 /Sr + , and Cd + /I + are all greater than those expected from excitation temperatures measured by other workers. The latter three values for T/sub ion/ are in reasonable agreement with values obtained by optical spectrometry for a variety of argon inductively coupled plasmas

Reaction of β-blockers and β-agonist pharmaceuticals with aqueous chlorine. Investigation of kinetics and by-products by liquid chromatography quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Quintana, José Benito; Rodil, Rosario; Cela, Rafael

2012-06-01

The degradation of two β-blockers (atenolol and propranolol) and one β-receptor agonist (salbutamol) during water chlorination was investigated by liquid chromatography-mass spectrometry (LC-MS). An accurate-mass quadrupole time-of-flight system (QTOF) was used to follow the time course of the pharmaceuticals and also used in the identification of the by-products. The degradation kinetics of these drugs was investigated at different concentrations of chlorine, bromide and sample pH by means of a Box-Behnken experimental design. Depending on these factors, dissipation half-lives varied in the ranges 68-145 h for atenolol, 1.3-33 min for salbutamol and 42-8362 min for propranolol. Normally, an increase in chlorine dosage and pH resulted in faster degradation of these pharmaceuticals. Moreover, the presence of bromide in water samples also resulted in a faster transformation of atenolol at low chlorine doses. The use of an accurate-mass high-resolution LC-QTOF-MS system permitted the identification of a total of 14 by-products. The transformation pathway of β-blockers/agonists consisted mainly of halogenations, hydroxylations and dealkylations. Also, many of these by-products are stable, depending on the chlorination operational parameters employed.

Improved single ion cyclotron resonance mass spectroscopy

International Nuclear Information System (INIS)

Boyce, K.R.

1993-01-01

The author has improved the state of the art for precision mass spectroscopy of a mass doublet to below one part in 10 10 . By alternately loading single ions into a Penning trap, the author has determined the mass ratio M(CO + )/M(N + 2 ) = 0.999 598 887 74(11), an accuracy of 1 x 10 -10 . This is a factor of 4 improvement over previous measurements, and a factor of 10 better than the 1985 atomic mass table adjustment [WAA85a]. Much of the author's apparatus has been rebuilt, increasing the signal-to-noise ratio and improving the reliability of the machine. The typical time needed to make and cool a single ion has been reduced from about half an hour to under 5 minutes. This was done by a combination of faster ion-making and a much faster procedure for driving out ions of the wrong species. The improved S/N, in combination with a much better signal processing algorithm to extract the ion phase and frequency from the author's data, has substantially reduced the time required for the actual measurements. This is important now that the measurement time is a substantial fraction of the cycle time (the time to make a new ion and measure it). The improvements allow over 30 comparisons in one night, compared to 2 per night previously. This not only improves the statistics, but eliminates the possibility of large non-Gaussian errors due to sudden magnetic field shifts

Implementation of $ab$ $initio$ perturbed angular correlation observables for analysis of fluctuating quadrupole interactions

CERN Document Server

Barbosa, Marcelo

A review about the nuclear properties, namely the nuclear moments (magnetic dipole moment and electric quadrupole moment) and their interaction with electromagnetic fields external to the nucleus (hyperfine interactions), as well as the angular distribution of radiation produced by $\\gamma$-decay, is presented. A detailed description about the theory of Perturbed Angular Correlations was done, including the comparison between $\\gamma-\\gamma$- correlations and $e^{-}- \\gamma$ correlations. For dynamic nuclear interactions, an introduction to the theory of stochastic states in PAC was performed. We focused on ab-initio implementation of observables for analyzing fluctuating quadrupole hyperfine interactions on time dependent perturbed angular correlations experiments. The development of computacional codes solving the full problem, adapted to fit data obtained on single crystals or polycrystals for two-state transient fields with any axial symmetry and orientation was the main purpose of this work. The final pa...

ISR "Terwilliger" Quadrupole

CERN Multimedia

1983-01-01

There were 48 of these Quadrupoles in the ISR. They were distributed around the rings according to the so-called Terwilliger scheme. Their aperture was 184 mm, their core length 300 mm, their gradient 5 T/m. Due to their small length as compared to the aperture, the end fringe field errors had to be compensated by suitably shaping the poles.

Multi-analysis strategy for metabolism of Andrographis paniculata in rat using liquid chromatography/quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Li, Wenlan; Sun, Xiangming; Xu, Ying; Wang, Xuezhi; Bai, Jing; Ji, Yubin

2015-07-01

Compared with chemical drugs, it is a huge challenge to identify active ingredients of multicomponent traditional Chinese medicine (TCM). For most TCMs, metabolism investigation of absorbed constituents is a feasible way to clarify the active material basis. Although Andrographis paniculata (AP) has been extensively researched by domestic and foreign scholars, its metabolism has seldom been fully addressed to date. In this paper, high-performance liquid chromatography/quadrupole time-of-flight mass spectrometry was applied to analysis and characterization of AP metabolism in rat urine and feces samples after oral administration of ethanol extract. The differences in metabolites and metabolic pathways between the two biological samples were further compared. The chemical structures of 20 components were tentatively identified from drug-treated biological samples, including six prototype components and 14 metabolites, which underwent such main metabolic pathways as hydrolyzation, hydrogenation, dehydroxylation, deoxygenation, methylation, glucuronidation, sulfonation and sulfation. Two co-existing components were found in urine and feces samples, suggesting that some ingredients' metabolic processes were not unique. This study provides a comprehensive report on the metabolism of AP in rats, which will be helpful for understanding its mechanism. Copyright © 2014 John Wiley & Sons, Ltd.

Use of liquid chromatography coupled to quadrupole time-of-flight mass spectrometry to investigate pesticide residues in fruits.

Science.gov (United States)

Grimalt, Susana; Pozo, Oscar J; Sancho, Juan V; Hernández, Félix

2007-04-01

In this paper, the potential of coupling liquid chromatography with hybrid quadrupole time-of-flight mass spectrometry (LC-QTOF) for the determination of pesticides in a variety of fruit samples (orange peel and flesh, banana skin and flesh, strawberry and pear) has been explored. The quantitative application at residue levels has been proven for two insecticides (buprofezin and hexythiazox), which were satisfactorily determined at three concentration levels, 0.1, 1, and 5 mg/kg, obtaining a suitable linearity range (correlation coefficient>0.99) of more than 2 orders of magnitude. Satisfactory recoveries have been obtained for both compounds at the three levels tested in all sample matrices, with lowest calibration levels (LCL) of 0.075 and 0.01 mg/kg. The excellent potential of QTOF for identification purposes is illustrated by the high number of identification points (IPs) earned, up to 21, at the highest concentration of 5 mg/kg, or between 11 and 21 at the 0.1 and 1 mg/kg levels. The application of LC-QTOF MS to real samples revealed the presence of several positives at concentrations close to the LCL, all of which were confirmed with more than 11 IPs. The potential of QTOF for elucidation of nontarget analytes has also been demonstrated by the finding of one transformation product (TP) of buprofezin in a banana skin sample. This TP was identified by obtaining the full scan product ion spectra at different collision energies with acceptable accurate mass deviation. The work performed in this paper illustrates the suitability and excellent confirmatory potential of LC-QTOF MS for pesticides residues analysis in food samples.

Screening of 439 Pesticide Residues in Fruits and Vegetables by Gas Chromatography-Quadrupole-Time-of-Flight Mass Spectrometry Based on TOF Accurate Mass Database and Q-TOF Spectrum Library.

Science.gov (United States)

Li, Jian-Xun; Li, Xiao-Ying; Chang, Qiao-Ying; Li, Yan; Jin, Ling-He; Pang, Guo-Fang; Fan, Chun-Lin

2018-05-03

Because of its unique characteristics of accurate mass full-spectrum acquisition, high resolution, and fast acquisition rates, GC-quadrupole-time-of-flight MS (GC-Q-TOF/MS) has become a powerful tool for pesticide residue analysis. In this study, a TOF accurate mass database and Q-TOF spectrum library of 439 pesticides were established, and the parameters of the TOF database were optimized. Through solid-phase extraction (SPE), whereby pesticides are extracted from fruit and vegetable substrates by using 40 mL 1% acetic acid in acetonitrile (v/v), purified by the Carbon/NH₂ SPE cartridge, and finally detected by GC-Q-TOF/MS, the rapid analysis of 439 pesticides in fruits and vegetables can be achieved. The methodology verification results show that more than 70 and 91% of pesticides, spiked in fruits and vegetables with concentrations of 10 and 100 μg/kg, respectively, saw recoveries that conform to the European Commission's criterion of between 70 and 120% with RSD ≤20%. Eighty-one percent of pesticides have screening detection limits lower than 10 μg/kg, which makes this a reliable analysis technology for the monitoring of pesticide residues in fruits and vegetables. This technology was further validated for its characteristics of high precision, high speed, and high throughput through successful detection of 9817 samples during 2013-2015.

Quantitative mass imaging of single biological macromolecules.

Science.gov (United States)

Young, Gavin; Hundt, Nikolas; Cole, Daniel; Fineberg, Adam; Andrecka, Joanna; Tyler, Andrew; Olerinyova, Anna; Ansari, Ayla; Marklund, Erik G; Collier, Miranda P; Chandler, Shane A; Tkachenko, Olga; Allen, Joel; Crispin, Max; Billington, Neil; Takagi, Yasuharu; Sellers, James R; Eichmann, Cédric; Selenko, Philipp; Frey, Lukas; Riek, Roland; Galpin, Martin R; Struwe, Weston B; Benesch, Justin L P; Kukura, Philipp

2018-04-27

The cellular processes underpinning life are orchestrated by proteins and their interactions. The associated structural and dynamic heterogeneity, despite being key to function, poses a fundamental challenge to existing analytical and structural methodologies. We used interferometric scattering microscopy to quantify the mass of single biomolecules in solution with 2% sequence mass accuracy, up to 19-kilodalton resolution, and 1-kilodalton precision. We resolved oligomeric distributions at high dynamic range, detected small-molecule binding, and mass-imaged proteins with associated lipids and sugars. These capabilities enabled us to characterize the molecular dynamics of processes as diverse as glycoprotein cross-linking, amyloidogenic protein aggregation, and actin polymerization. Interferometric scattering mass spectrometry allows spatiotemporally resolved measurement of a broad range of biomolecular interactions, one molecule at a time. Copyright © 2018 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

Simultaneous determination of zearalenone and its derivatives in edible vegetable oil by gel permeation chromatography and gas chromatography-triple quadrupole mass spectrometry.

Science.gov (United States)

Qian, Mingrong; Zhang, Hu; Wu, Liqin; Jin, Nuo; Wang, Jianmei; Jiang, Kezhi

2015-01-01

A sensitive gas chromatographic-triple quadrupole mass spectrometric (GC-QqQ MS) analytical method, for the determination of zearalenone and its five derivatives in edible vegetable oil, was developed. After the vegetable oil samples were prepared using gel permeation chromatography, the eluent was collected, evaporated and dried with nitrogen gas. The residue was silylated with N,O-bis-trimethylsilyltrifluoroacetamide, containing 1% trimethylchlorosilane. GC-QqQ MS was performed in the reaction-monitoring mode to confirm and quantify mycotoxins in vegetable oil. The limits of quantitation were 0.03-0.2 μg kg(-1) for the six mycotoxins. The average recoveries, measured at 2, 20 and 200 μg kg(-1), were in the range 80.3-96.5%. Zearalenone was detected in the range 5.2-184.6 μg kg(-1) in nine maize oils and at 40.7 μg kg(-1) in a rapeseed oil from the local market. Copyright © 2014 Elsevier Ltd. All rights reserved.

The isovector quadrupole resonance in yttrium excited by neutron radiative capture

International Nuclear Information System (INIS)

Zorro, R.; Bergqvist, I.

1987-01-01

In order to investigate the properties of the isovector giant quadrupole resonance (ΔT=1, ΔS=0) in the A=90 mass region, gamma-ray spectra from the reaction 89 Y(n,γ) 90 Y were recorded at several neutron energies in the energy range 12 to 27 MeV at 55 0 , 90 0 and 125 0 . The measured fore-aft asymmetry for the ground-state transition is very small in the low-energy region, but becomes appreciable above a neutron energy of 18 MeV. The observed asymmetry is attributed to interference between radiation from the isovector giant quadrupole resonance and radiation of opposite parity (from the high-energy tail of the giant dipole resonance and direct E1 capture). The data obtained in the present work, interpreted in terms of the direct-semidirect capture model, indicate that the excitation energy of the isovector E2 resonance in 90 Y is 26 ± 1 MeV. The data are consistent with a resonance width of 10 ± 2 MeV and with complete exhaustion of the energy-weighted sum rule for the lower isospin component of the resonance. (orig.)

Semimicroscopic description of the giant quadrupole resonances in deformed nuclei

International Nuclear Information System (INIS)

Kurchev, G.; Malov, L.A.; Nesterenko, V.O.; Soloviev, V.G.

1976-01-01

The calculation results of the giant quadrupole isoscalar and isovector resonances performed within the random phase approximation are represented. The strength functions for E2-transitions are calculated for doubly even deformed nuclei in the regions 150 (<=) A < 190 and 228 (<=) A < 248 in the energy interval (0-40) MeV. The following integral characteristics of giant quadrupole resonances are obtained: the position, widths, the contribution to the energy weighted sum rule and the contribution to the total cross section of photoabsorption. The calculations have shown that giant quadrupole resonances are common for all the considered nuclei. The calculated characteristics of the isoscalar giant quadrupole resonance agree with the available experimental data. The calculations also show that the semimicroscopic theory can be successfully applied for the description of giant multipole resonances

Kinetic energy in the collective quadrupole Hamiltonian from the experimental data

Energy Technology Data Exchange (ETDEWEB)

Jolos, R.V., E-mail: jolos@theor.jinr.ru [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Dubna State University, 141980 Dubna (Russian Federation); Kolganova, E.A. [Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Dubna State University, 141980 Dubna (Russian Federation)

2017-06-10

Dependence of the kinetic energy term of the collective nuclear Hamiltonian on collective momentum is considered. It is shown that the fourth order in collective momentum term of the collective quadrupole Hamiltonian generates a sizable effect on the excitation energies and the matrix elements of the quadrupole moment operator. It is demonstrated that the results of calculation are sensitive to the values of some matrix elements of the quadrupole moment. It stresses the importance for a concrete nucleus to have the experimental data for the reduced matrix elements of the quadrupole moment operator taken between all low lying states with the angular momenta not exceeding 4.

Quadrupole magnets for IR-FEL at RRCAT

International Nuclear Information System (INIS)

Ruwali, Kailash; Singh, Kushraj; Mishra, Anil Kumar; Biswas, Bhaskar

2013-01-01

The IR-FEL project at RRCAT needs quadrupole magnets for focusing 15 to 35 MeV electron beam through a dog-leg type beam line. This bend needs tighter relative tolerances on the central quadrupole triplet . The magnetic design, fabrication and magnetic characterization of five quadrupole magnets were carried out. The poles are detachable and wider than the coils. This significantly improves the good field region of the magnet. The magnet cross-section was optimized using 2D POISON code and entry-exit tapers were optimized using 3D code TOSCA.. The aperture radius of the magnet is 30 mm and the total core length is 180 mm. The integrated gradient of magnet is 0.51 T. The magnetic measurements were carried out using Danfysik make rotating coil bench model 690. Integrated gradient and multipoles present in the magnet aperture were measured at various excitation levels. The details of magnetic development and the magnetic measurements are discussed in this paper. (author)

Ionization of xenon by electrons: Partial cross sections for single, double, and triple ionization

International Nuclear Information System (INIS)

Mathur, D.; Badrinathan, C.

1987-01-01

High-sensitivity measurements of relative partial cross sections for single, double, and triple ionization of Xe by electron impact have been carried out in the energy region from threshold to 100 eV using a crossed-beam apparatus incorporating a quadrupole mass spectrometer. The weighted sum of the relative partial cross sections at 50 eV are normalized to the total ionization cross section of Rapp and Englander-Golden to yield absolute cross-section functions. Shapes of the partial cross sections for single and double ionization are difficult to account for within a single-particle picture. Comparison of the Xe + data with 4d partial photoionization cross-section measurements indicates the important role played by many-body effects in describing electron-impact ionization of high-Z atoms

Design of the LINAC4 Transfer Line Quadrupole Electromagnets

CERN Document Server

Vanherpe, L

2013-01-01

Beam focusing in the various segments of the Linac4 Transfer Line is provided by quadrupole electromagnets. In total seventeen pulsed, air-cooled quadrupole electromagnets are required. They are made of laminated electrical steel yokes and coils wound from solid copper wire. All magnets have an aperture radius of 50 mm and are required to provide an integrated field gradient of 1.8 T over a magnetic length of 300 mm. This design report summarizes the main magnetic, electrical and mechanical design parameters of the Linac4 Transfer Line Quadrupole Magnets. The effect of the vacuum chamber on the magnetic field quality and the field delay is studied.

Rf quadrupole beam dynamics

International Nuclear Information System (INIS)

Stokes, R.H.; Crandall, K.R.; Stovall, J.E.; Swenson, D.A.

1979-01-01

A method has been developed to analyze the beam dynamics of the radiofrequency quadrupole accelerating structure. Calculations show that this structure can accept a dc beam at low velocity, bunch it with high capture efficiency, and accelerate it to a velocity suitable for injection into a drift tube linac

Multi-constituent determination and fingerprint analysis of Scutellaria indica L. using ultra high performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Liang, Xianrui; Zhao, Cui; Su, Weike

2015-11-01

An ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry method integrating multi-constituent determination and fingerprint analysis has been established for quality assessment and control of Scutellaria indica L. The optimized method possesses the advantages of speediness, efficiency, and allows multi-constituents determination and fingerprint analysis in one chromatographic run within 11 min. 36 compounds were detected, and 23 of them were unequivocally identified or tentatively assigned. The established fingerprint method was applied to the analysis of ten S. indica samples from different geographic locations. The quality assessment was achieved by using principal component analysis. The proposed method is useful and reliable for the characterization of multi-constituents in a complex chemical system and the overall quality assessment of S. indica. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Simultaneous detection of flumethasone, dl-methylephedrine, and 2-hydroxy-4,6-dimethylpyrimidine in porcine muscle and pasteurized cow milk using liquid chromatography coupled with triple-quadrupole mass spectrometry.

Science.gov (United States)

Zhang, Dan; Park, Jin-A; Kim, Seong-Kwan; Cho, Sang-Hyun; Jeong, Daun; Cho, Soo-Min; Yi, Hee; Shim, Jae-Han; Kim, Jin-Suk; Abd El-Aty, A M; Shin, Ho-Chul

2016-02-15

A simple analytical method based on liquid chromatography coupled with triple-quadrupole mass spectrometry was developed for detection of the veterinary drugs flumethasone, dl-methylephedrine, and 2-hydroxy-4,6-dimethylpyrimidine in porcine muscle and pasteurized cow milk. The target drugs were extracted from samples using 10mM ammonium formate in acetonitrile followed by clean-up with n-hexane and primary secondary amine sorbent (PSA). The analytes were separated on an XBridge™ hydrophilic interaction liquid chromatography (HILIC) column using 10mM ammonium formate in ultrapure water and acetonitrile. Good linearity was achieved over the tested concentrations in matrix-fortified calibrations with correlation coefficients (R(2))≥0.9686. Recovery at two spiking levels ranged between 73.62-112.70% with intra- and inter-day precisions of ≤20.33%. The limits of quantification ranged from 2-10ng/g in porcine muscle and pasteurized cow milk. A survey of market samples showed that none of them contained any of the target analytes. Liquid-liquid purification using n-hexane in combination with PSA efficiently removed the interferences during porcine and milk sample extraction. The developed method is sensitive and reliable for detection of the three target drugs in a single chromatographic run. Furthermore, it exhibits high selectivity and low quantification limits for animal-derived food products destined for human consumption. Copyright © 2016 Elsevier B.V. All rights reserved.

Nontarget analysis of polar contaminants in freshwater sediments influenced by pharmaceutical industry using ultra-high-pressure liquid chromatography-quadrupole time-of-flight mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Terzic, Senka, E-mail: terzic@irb.h [Division of Marine and Environmental Research, Rudjer Boskovic Institute, 10000 Zagreb (Croatia); Ahel, Marijan [Division of Marine and Environmental Research, Rudjer Boskovic Institute, 10000 Zagreb (Croatia)

2011-02-15

A comprehensive analytical procedure for a reliable identification of nontarget polar contaminants in aquatic sediments was developed, based on the application of ultra-high-pressure liquid chromatography (UHPLC) coupled to hybrid quadrupole time-of-flight mass spectrometry (QTOFMS). The procedure was applied for the analysis of freshwater sediment that was highly impacted by wastewater discharges from the pharmaceutical industry. A number of different contaminants were successfully identified owing to the high mass accuracy of the QTOFMS system, used in combination with high chromatographic resolution of UHPLC. The major compounds, identified in investigated sediment, included a series of polypropylene glycols (n = 3-16), alkylbenzene sulfonate and benzalkonium surfactants as well as a number of various pharmaceuticals (chlorthalidone, warfarin, terbinafine, torsemide, zolpidem and macrolide antibiotics). The particular advantage of the applied technique is its capability to detect less known pharmaceutical intermediates and/or transformation products, which have not been previously reported in freshwater sediments. - Research highlights: UHPLC-QTOFMS coupling was applied for nontarget analysis of polar contaminants. Wide spectrum of polar contaminants was identified in polluted sediments. Pharmaceuticals and their intermediates were present in high concentrations. - Comprehensive analysis of freshwater sediments by UPLC/QTOF indicated importance of pharmaceutically-derived polar contaminants.

A new ultrahigh performance liquid chromatography with diode array detection coupled to electrospray ionization and quadrupole time-of-flight mass spectrometry analytical strategy for fast analysis and improved characterization of phenolic compounds in apple products.

Science.gov (United States)

Ramirez-Ambrosi, M; Abad-Garcia, B; Viloria-Bernal, M; Garmon-Lobato, S; Berrueta, L A; Gallo, B

2013-11-05

A new, rapid, selective and sensitive ultrahigh performance liquid chromatography with diode array detection coupled to electrospray ionization and quadrupole time-of-flight mass spectrometry (UHPLC-DAD-ESI-Q-ToF-MS) strategy using automatic and simultaneous acquisition of exact mass at high and low collision energy, MS(E), has been developed to obtain polyphenolic profile of apples, apple pomace and apple juice from Asturian cider apples in a single run injection of 22 min. MS(E) spectral data acquisition overcomes chromatographic co-elution problems, performing simultaneous collection of precursor ions as well as other ions produced as a result of their fragmentation, which allows resolving complex spectra from mixtures of precursor ions in an unsupervised way and eases their interpretation. Using this technique, 52 phenolic compounds of five different classes were readily characterized in these apple extracts in both positive and negative ionization modes. The spectral data for phenolic compounds obtained using this acquisition mode are comparable to those obtained by conventional LC-MS/MS as exemplified in this work. Among the 52 phenolic compounds identified in this work, 2 dihydrochalcones and 3 flavonols have been tentatively identified for the first time in apple products. Moreover, 2 flavanols, 4 dihydrochalcones, 9 hydroxycinnamic acids and 4 flavonols had not been previously reported in apple by ToF analysis to our knowledge. Copyright © 2013 Elsevier B.V. All rights reserved.

Development and Application of an MSALL-Based Approach for the Quantitative Analysis of Linear Polyethylene Glycols in Rat Plasma by Liquid Chromatography Triple-Quadrupole/Time-of-Flight Mass Spectrometry.

Science.gov (United States)

Zhou, Xiaotong; Meng, Xiangjun; Cheng, Longmei; Su, Chong; Sun, Yantong; Sun, Lingxia; Tang, Zhaohui; Fawcett, John Paul; Yang, Yan; Gu, Jingkai

2017-05-16

Polyethylene glycols (PEGs) are synthetic polymers composed of repeating ethylene oxide subunits. They display excellent biocompatibility and are widely used as pharmaceutical excipients. To fully understand the biological fate of PEGs requires accurate and sensitive analytical methods for their quantitation. Application of conventional liquid chromatography-tandem mass spectrometry (LC-MS/MS) is difficult because PEGs have polydisperse molecular weights (MWs) and tend to produce multicharged ions in-source resulting in innumerable precursor ions. As a result, multiple reaction monitoring (MRM) fails to scan all ion pairs so that information on the fate of unselected ions is missed. This Article addresses this problem by application of liquid chromatography-triple-quadrupole/time-of-flight mass spectrometry (LC-Q-TOF MS) based on the MS ALL technique. This technique performs information-independent acquisition by allowing all PEG precursor ions to enter the collision cell (Q2). In-quadrupole collision-induced dissociation (CID) in Q2 then effectively generates several fragments from all PEGs due to the high collision energy (CE). A particular PEG product ion (m/z 133.08592) was found to be common to all linear PEGs and allowed their total quantitation in rat plasma with high sensitivity, excellent linearity and reproducibility. Assay validation showed the method was linear for all linear PEGs over the concentration range 0.05-5.0 μg/mL. The assay was successfully applied to the pharmacokinetic study in rat involving intravenous administration of linear PEG 600, PEG 4000, and PEG 20000. It is anticipated the method will have wide ranging applications and stimulate the development of assays for other pharmaceutical polymers in the future.

Qualitative and quantitative characterization of secondary metabolites and carbohydrates in Bai-Hu-Tang using ultraperformance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry and ultraperformance liquid chromatography coupled with photodiode array detector

Directory of Open Access Journals (Sweden)

Wei-Fang Zhong

2017-10-01

Full Text Available Bai-Hu-Tang (BHT, a classic traditional Chinese medicine (TCM formula used for clearing heat and promoting body fluid, consists of four traditional Chinese medicines, i.e., Gypsum Fibrosum (Shigao, Anemarrhenae Rhizoma (Zhimu, Glycyrrhizae Radix et Rhizoma Praeparata cum Melle (Zhigancao, and nonglutinous rice (Jingmi. The chemical composition of BHT still remains largely elusive thus far. To qualitatively and quantitatively characterize secondary metabolites and carbohydrates in BHT, here a combination of analytical approaches using ultraperformance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry and ultraperformance liquid chromatography coupled with photodiode array detector was developed and validated. A total of 42 secondary metabolites in BHT were tentatively or definitely identified, of which 10 major chemicals were quantified by the extracting ion mode of quadrupole time-of-flight mass spectrometry. Meanwhile, polysaccharides, oligosaccharides, and monosaccharides in BHT were also characterized via sample pretreatment followed by sugar composition analysis. The quantitative results indicated that the determined chemicals accounted for 35.76% of the total extract of BHT, which demonstrated that the study could be instrumental in chemical dissection and quality control of BHT. The research deliverables not only laid the root for further chemical and biological evaluation of BHT, but also provided a comprehensive analytical strategy for chemical characterization of secondary metabolites and carbohydrates in traditional Chinese medicine formulas.

Qualitative and quantitative characterization of secondary metabolites and carbohydrates in Bai-Hu-Tang using ultraperformance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry and ultraperformance liquid chromatography coupled with photodiode array detector.

Science.gov (United States)

Zhong, Wei-Fang; Tong, Wing-Sum; Zhou, Shan-Shan; Yip, Ka-Man; Li, Song-Lin; Zhao, Zhong-Zhen; Xu, Jun; Chen, Hu-Biao

2017-10-01

Bai-Hu-Tang (BHT), a classic traditional Chinese medicine (TCM) formula used for clearing heat and promoting body fluid, consists of four traditional Chinese medicines, i.e., Gypsum Fibrosum (Shigao), Anemarrhenae Rhizoma (Zhimu), Glycyrrhizae Radix et Rhizoma Praeparata cum Melle (Zhigancao), and nonglutinous rice (Jingmi). The chemical composition of BHT still remains largely elusive thus far. To qualitatively and quantitatively characterize secondary metabolites and carbohydrates in BHT, here a combination of analytical approaches using ultraperformance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry and ultraperformance liquid chromatography coupled with photodiode array detector was developed and validated. A total of 42 secondary metabolites in BHT were tentatively or definitely identified, of which 10 major chemicals were quantified by the extracting ion mode of quadrupole time-of-flight mass spectrometry. Meanwhile, polysaccharides, oligosaccharides, and monosaccharides in BHT were also characterized via sample pretreatment followed by sugar composition analysis. The quantitative results indicated that the determined chemicals accounted for 35.76% of the total extract of BHT, which demonstrated that the study could be instrumental in chemical dissection and quality control of BHT. The research deliverables not only laid the root for further chemical and biological evaluation of BHT, but also provided a comprehensive analytical strategy for chemical characterization of secondary metabolites and carbohydrates in traditional Chinese medicine formulas. Copyright © 2017. Published by Elsevier B.V.

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

Science.gov (United States)

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.

High-efficiency thermal ionization sources for mass spectrometry

International Nuclear Information System (INIS)

Olivares, Jose A.

1996-01-01

A version of the thermal ionization cavity (TIC) source developed specifically for use in mass spectrometry is presented. The performance of this ion source has been characterized extensively both with the use of an isotope separator and a quadrupole mass spectrometer. A detailed description of the TIC source for mass spectrometry is given along with the performance characteristics observed

Structural characterization of monoterpene indole alkaloids in ethanolic extracts of Rauwolfia species by liquid chromatography with quadrupole time-of-flight mass spectrometry

Institute of Scientific and Technical Information of China (English)

Sunil Kumar; Awantika Singh; Vikas Bajpai; Mukesh Srivastava; Bhim Pratap Singh; Brijesh Kumar

2016-01-01

Rauwolfia species (Apocynaceae) are medicinal plants well known worldwide due to its potent bioactive monoterpene indole alkaloids (MIAs) such as reserpine, ajmalicine, ajmaline, serpentine and yohimbine. Reserpine, ajmalicine and ajmaline are powerful antihypertensive, tranquilizing agents used in hypertension. Yohimbine is an aphrodisiac used in dietary supplements. As there is no report on the comparative and comprehensive phytochemical investigation of the roots of Rauwolfia species, we have developed an efficient and reliable liquid chromatography-tandem mass spectrometry (LC–MS/MS) method for ethanolic root extract of Rauwolfia species to elucidate the fragmentation pathways for dereplication of bioactive MIAs using high-performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry (HPLC–ESI–QTOF–MS/MS) in positive ion mode. We identified and established diagnostic fragment ions and fragmentation pathways using reserpine, ajmalicine, ajmaline, serpentine and yohimbine. The MS/MS spectra of reserpine, ajmalicine, and ajmaline showed C-ring-cleavage whereas E-ring cleavage was observed in serpentine via Retro Diels Alder (RDA). A total of 47 bioactive MIAs were identified and characterized on the basis of their molecular formula, exact mass measurements and MS/MS analysis. Reserpine, ajmalicine, ajmaline, serpentine and yohimbine were unambiguously identified by comparison with their authentic standards and other 42 MIAs were tentatively identified and characterized from the roots of Rauwolfia hookeri, Rauwolfia micrantha, Rauwolfia serpentina, Rauwolfia verticillata, Rauwolfia tetraphylla and Rauwolfia vomitoria. Application of LC–MS followed by principal component analysis (PCA) has been successfully used to discriminate among six Rauwolfia species.

Superconducting Panofsky quadrupoles

International Nuclear Information System (INIS)

Harwood, L.H.

1981-01-01

A design for a rectangular aperture quadrupole magnet without pole-tips was introduced by Hand and Panofsky in 1959. This design was quite radical but simple to construct. Few magnets of this design were ever built because of the large power needed. With the advent of superconducting coils there has been a renewed interest in them. The mathematical basis, field characteristics, and present and future construction of these magnets are described

Quadrupole interactions in pionic and muonic tantalum and rhenium

International Nuclear Information System (INIS)

Konijn, J.; Doesburg, W. van; Ewan, G.T; Johansson, T.; Tibell, G.

1981-01-01

The hyperfine splitting of pionic and muonic X-rays in natural Re has been studied using the known ratio (accurate to 1.6 parts in 10 5 ) of the quadrupole moments of the two naturally occurring 185 Re and 187 Re isotopes. From the hyperfine splitting of the 5g → 4f and 4f → 3d pionic X-rays the effective quadrupole hyperfine constants were determined to be 187 A 2 sup(e)sup(f)sup(f) (4f) = 1.163 +- 0.010 keV and 187 A 2 sup(e)sup(f)sup(f) (3d) = 5.39 +- 0.63 keV, giving strong interaction quadrupole shifts epsilon 2 (4f) = 46 +- 10 eV and epsilon 2 (3d) = 1.3 +- 0.6 keV. The strong interaction monopole shifts epsilon 0 and widths GAMMA 0 of the 5g, 4f and 3d levels have also been measured. For the two higher orbits, standard optical-potential calculations fit the measured shifts and widths quite well. The observed deeper-lying 3d state, however, has shifts and widths that differ by a factor of 2 or more from the predictions. From the measured quadrupole hyperfine constants of the 4f level we calculate the spectroscopic quadrupole moments to be 187 Qsup(μ) = 2.09 +- 0.04 b, 187 Qsup(π) = 2.07 +- 0.02 b, 185 Qsup(μ) = 2.21 +- 0.04 b, and 185 Qsup(π) = 2.18 +- 0.02 b. In addition, muonic X-rays from 181 Ta were observed; using the same methods for determining the quadrupole moments as above, a value of 181 Qsup(μ) = 3.28 +- 0.06 b was obtained, in good agreement with earlier published data. (orig.)

Quadrupole photoionization of endohedral Xe-C60

International Nuclear Information System (INIS)

Govil, Karan; Deshmukh, P C

2009-01-01

The effect of an endohedral confinement on the quadrupole photoionization of atomic Xe is studied using the relativistic random phase approximation (RRPA). The atom's confinement is modelled by placing atomic Xe at the centre of a C 60 cage represented by an annular potential around it. A new confinement resonance is reported in the 4p quadrupole cross-section along with 'correlation confinement resonances' in 4d, 5s and 5p photoionizations at about 185 eV. The effect of the confinement on the non-dipole photoelectron angular distribution parameter γ is also reported.

High and ulta-high gradient quadrupole magnets

International Nuclear Information System (INIS)

Brunk, W.O.; Walz, D.R.

1985-05-01

Small bore conventional dc quadrupoles with apertures from 1 to 2.578cm were designed and prototypes built and measured. New fabrication techniques including the use of wire electric discharge milling (EDM) to economically generate the pole tip contours and aperture tolerances are described. Magnetic measurement data from a prototype of a 1cm aperture quadrupole with possible use in future e + /e - super colliders are presented. At a current of 400A, the lens achieved a gradient of 2.475 T/cm, and had an efficiency of 76.6%

Quadrupole formula for Kaluza-Klein modes in the braneworld

International Nuclear Information System (INIS)

Kinoshita, Shunichiro; Kudoh, Hideaki; Sendouda, Yuuiti; Sato, Katsuhiko

2005-01-01

The quadrupole formula in four-dimensional Einstein gravity is a useful tool to describe gravitational wave radiation. We derive the quadrupole formula for the Kaluza-Klein (KK) modes in the Randall-Sundrum braneworld model. The quadrupole formula provides a transparent representation of the exterior weak gravitational field induced by localized sources. We find that a general isolated dynamical source gives rise to the 1/r 2 correction to the leading 1/r gravitational field. We apply the formula to an evaluation of the effective energy carried by the KK modes from the viewpoint of an observer on the brane. Contrary to the ordinary gravitational waves (zero mode), the flux of the induced KK modes by the non-spherical part of the quadrupole moment vanishes at infinity and only the spherical part contributes to the flux. Since the effect of the KK modes appears in the linear order of the metric perturbations, the effective energy flux observed on the brane is not always positive, but can become negative depending on the motion of the localized sources

Sensitivity of (α,α') cross sections to excited-state quadrupole moments

International Nuclear Information System (INIS)

Baker, F.T.; Scott, A.; Ronningen, R.M.; Hamilton, J.H.; Kruse, T.H.; Suchannek, R.; Savin, W.

1977-01-01

Inelastic α particle scattering at 21 and 24 MeV has been used to estimate the electric quadrupole moment of the second 2 + state in 180 Hf. Sensitivity to the assumed quadrupole moment is due almost entirely to reorientation via the nuclear force. Results suggest that the technique may be a useful method of estimating excited state quadrupole moments, particularly for states with high excitation energies or with J greater than 2

Optimization of an electrostatic quadrupole doublet focusing systems

Energy Technology Data Exchange (ETDEWEB)

Hussein, Oday A., E-mail: oah@sc.nahrainuniv.edu.iq [Department of Physics, College of Science, Al-Nahrain University, Baghdad (Iraq); Sise, Omer [Department of Science Education, Faculty of Education, Suleyman Demirel University, Isparta (Turkey)

2017-05-15

Highlights: • The imaging properties of an electrostatic quadrupole doublet lens were analyzed with the aid of computer simulation. • The optimal electrode voltages which lead to stigmatic image in both planes of the quadrupole doublet lens with minimum spot size at position sensitive detector (PSD) were found for two operation modes: point-to-point focusing and parallel-to-point focusing. • The imaging properties of are very sensitive to the lunching angle of the electron-beam. - Abstract: The imaging properties of an electrostatic quadrupole doublet lens were analyzed with the aid of computer simulation. The optimal electrode voltages which lead to stigmatic image in both planes of the quadrupole doublet lens with minimum spot size at position sensitive detector (PSD) were found for two operation modes: point-to-point focusing and parallel-to-point focusing. The optical properties as: Magnifications, spot sizes in the image plane and aberration figures were discussed. The results showed that the focusing of the lens was strong in the xy-plane in comparison with the focusing in the xz-plane. The distortion of the image was greater when the image position will be close to the lens in comparison with object position. Also, the imaging properties were very sensitive to the lunching angle of the electron-beam.

Metabolic Profiling of Hoodia, Chamomile, Terminalia Species and Evaluation of Commercial Preparations Using Ultrahigh-Performance Liquid Chromatography Quadrupole-Time-of-Flight Mass Spectrometry.

Science.gov (United States)

Avula, Bharathi; Wang, Yan-Hong; Isaac, Giorgis; Yuk, Jimmy; Wrona, Mark; Yu, Kate; Khan, Ikhlas A

2017-11-01

Ultrahigh-performance liquid chromatography quadrupole-time-of-flight mass spectrometry (UHPLC-QToF-MS) profiling was used for the identification of marker compounds and generation of metabolic patterns that could be interrogated using chemometric modeling software. UHPLC-QToF-MS was used to generate comprehensive fingerprints of three botanicals ( Hoodia, Terminalia , and chamomile), each having different classes of compounds. Detection of a broad range of ions was carried out in full scan mode in both positive and negative modes over the range m/z 100-1700 using high-resolution mass spectrometry. Multivariate statistical analysis was used to extract relevant chemical information from the data to easily differentiate between Terminalia species, chamomile varieties, and quality control of Hoodia products. Using nontargeted analysis, identification of 37 compounds contributed to the differences between Terminalia species, 26 flavonoids were identified to show the differences between German and Roman chamomile, and 43 pregnane glycosides were identified from Hoodia gordonii samples. The UHPLC-QToF-MS-based chemical fingerprinting with principal component analysis was able to correctly distinguish botanicals and their commercial products. This work can be used as a basis to assure the quality of botanicals and commercial products. Georg Thieme Verlag KG Stuttgart · New York.

Gas chromatography/chemical ionization triple quadrupole mass spectrometry analysis of anabolic steroids: ionization and collision-induced dissociation behavior.

Science.gov (United States)

Polet, Michael; Van Gansbeke, Wim; Van Eenoo, Peter; Deventer, Koen

2016-02-28

The detection of new anabolic steroid metabolites and new designer steroids is a challenging task in doping analysis. Switching from electron ionization gas chromatography triple quadrupole mass spectrometry (GC/EI-MS/MS) to chemical ionization (CI) has proven to be an efficient way to increase the sensitivity of GC/MS/MS analyses and facilitate the detection of anabolic steroids. CI also extends the possibilities of GC/MS/MS analyses as the molecular ion is retained in its protonated form due to the softer ionization. In EI it can be difficult to find previously unknown but expected metabolites due to the low abundance or absence of the molecular ion and the extensive (and to a large extent unpredictable) fragmentation. The main aim of this work was to study the CI and collision-induced dissociation (CID) behavior of a large number of anabolic androgenic steroids (AAS) as their trimethylsilyl derivatives in order to determine correlations between structures and CID fragmentation. Clarification of these correlations is needed for the elucidation of structures of unknown steroids and new metabolites. The ionization and CID behavior of 65 AAS have been studied using GC/CI-MS/MS with ammonia as the reagent gas. Glucuronidated AAS reference standards were first hydrolyzed to obtain their free forms. Afterwards, all the standards were derivatized to their trimethylsilyl forms. Full scan and product ion scan analyses were used to examine the ionization and CID behavior. Full scan and product ion scan analyses revealed clear correlations between AAS structure and the obtained mass spectra. These correlations were confirmed by analysis of multiple hydroxylated, methylated, chlorinated and deuterated analogs. AAS have been divided into three groups according to their ionization behavior and into seven groups according to their CID behavior. Correlations between fragmentation and structure were revealed and fragmentation pathways were postulated. Copyright © 2016 John Wiley

Large permanent magnet quadrupoles for an electron storage ring

International Nuclear Information System (INIS)

Herb, S.W.

1987-01-01

We have built large high quality permanent magnet quadrupoles for use as interaction region quadrupoles in the Cornell Electron Storage Ring where they must operate in the 10 kG axial field of the CLEO experimental detector. We describe the construction and the magnetic measurement and tuning procedures used to achieve the required field quality and stability. (orig.)

Multiple heart-cutting two dimensional liquid chromatography quadrupole time-of-flight mass spectrometry of pyrrolizidine alkaloids.

Science.gov (United States)

van de Schans, Milou G M; Blokland, Marco H; Zoontjes, Paul W; Mulder, Patrick P J; Nielen, Michel W F

2017-06-23

Pyrrolizidine alkaloids (PAs) and their and the corresponding N-oxides (PAs-ox) are genotoxic plant metabolites which can be present as unwanted contaminants in food products of herbal origin like tea and food supplements. PAs and PAs-ox come in a wide variety of molecular structures including many structural isomers. For toxicity assessment it is important to determine the composition of a sample and to resolve all isomeric PAs and PAs-ox, which is currently not possible in one liquid or gas chromatographic (LC or GC) run. In this study an online two dimensional liquid chromatography quadrupole time-of-flight mass spectrometry (2D-LC QToF-MS) method was developed to resolve isomeric PAs and PAs-ox. After comprehensive column and mobile phase selection a polar endcapped C 18 column was used at pH 3 in the first dimension, and a cross-linked C 18 column at pH 10 in the second dimension. Injection solvents, column IDs, flow rates and temperatures were carefully optimized. The method with column selection valve switching described in this study was able to resolve and visualize 20 individual PAs/PAs-ox (6 sets of isomers) in one 2D-LC QToF-MS run. Moreover, it was shown that all isomeric PAs/PAs-ox could be unambiguously annotated. The method was shown to be applicable for the determination and quantification of isomeric PAs/PAs-ox in plant extracts and could be easily extended to include other PAs and PAs-ox. Copyright © 2017 Elsevier B.V. All rights reserved.

Trace determination of 13 haloacetamides in drinking water using liquid chromatography triple quadrupole mass spectrometry with atmospheric pressure chemical ionization.

Science.gov (United States)

Chu, Wenhai; Gao, Naiyun; Yin, Daqiang; Krasner, Stuart W; Templeton, Michael R

2012-04-27

The haloacetamides (HAcAms) are disinfection by-products (DBPs) in drinking water which are currently receiving increased scientific attention due to their elevated toxicity relative to regulated disinfection by-products. A simultaneous determination method of 13 HAcAms, combining solid-phase extraction (SPE) enrichment, liquid chromatographic (LC) separation, and triple quadrupole mass spectrometry (tqMS) detection with atmospheric pressure chemical ionization (APCI) using selective reaction monitoring in positive mode, was developed to measure HAcAms, including chlorinated, brominated, and iodinated analogs. Ammonium chloride and Oasis HLB were selected as the dechlorinating reagent and polymeric SPE sorbent of HAcAm samples. The used tqMS apparatus showed higher sensitivity for the studied HAcAms in the APCI mode than electrospray ionization. 13 HAcAms were separated by LC in 9.0 min, and the detection limits ranged from 7.6 to 19.7 ng/L. The SPE-LC/tqMS method was successfully applied to quantify 13 HAcAms in drinking water samples for the first time, and first indentified tribromoacetamide and chloroiodoacetamide as DBPs in drinking water. Copyright © 2012 Elsevier B.V. All rights reserved.

Simultaneous determination of organophosphorus pesticides in fruits and vegetables using atmospheric pressure gas chromatography quadrupole-time-of-flight mass spectrometry.

Science.gov (United States)

Cheng, Zhipeng; Dong, Fengshou; Xu, Jun; Liu, Xingang; Wu, Xiaohu; Chen, Zenglong; Pan, Xinglu; Gan, Jay; Zheng, Yongquan

2017-09-15

This paper describes the application of atmospheric pressure gas chromatography quadrupole-time-of-flight mass spectrometry for the simultaneous determination of organophosphorus pesticides in apple, pear, tomato, cucumber and cabbage. Soft ionization with atmospheric pressure ionization source was compared with traditional electron impact ionization (EI). The sensitivity of GC coupled to atmospheric pressure ionization (APGC) for all the analytes was enhanced by 1.0-8.2 times. The ionization modes with atmospheric pressure ionization source was studied by comparing the charge-transfer and proton-transfer conditions. The optimized QuEChERs method was used to pretreat the samples. The calibration curves were found linear from 10 to 1000μg/L, obtaining correlation coefficients higher than 0.9845. Satisfactory mean recovery values, in the range of 70.0-115.9%, and satisfactory precision, with all RSD r <19.7% and all RSD R values <19.5% at the three fortified concentration levels for all the fifteen OPPs. The results demonstrate the potential of APGC-QTOF-MS for routine quantitative analysis of organophosphorus pesticide in fruits and vegetables. Copyright © 2017 Elsevier Ltd. All rights reserved.

Viscous slip coefficients for binary gas mixtures measured from mass flow rates through a single microtube

Science.gov (United States)

Yamaguchi, H.; Takamori, K.; Perrier, P.; Graur, I.; Matsuda, Y.; Niimi, T.

2016-09-01

The viscous slip coefficient for helium-argon binary gas mixture is extracted from the experimental values of the mass flow rate through a microtube. The mass flow rate is measured by the constant-volume method. The viscous slip coefficient was obtained by identifying the measured mass flow rate through a microtube with the corresponding analytical expression, which is a function of the Knudsen number. The measurements were carried out in the slip flow regime where the first-order slip boundary condition can be applied. The measured viscous slip coefficients of binary gas mixtures exhibit a concave function of the molar ratio of the mixture, showing a similar profile with numerical results. However, from the detailed comparison between the measured and numerical values with the complete and incomplete accommodation at a surface, it is inappropriate to estimate the viscous slip coefficient for the mixture numerically by employing separately measured tangential momentum accommodation coefficient for each component. The time variation of the molar ratio in the downstream chamber was measured by sampling the gas from the chamber using the quadrupole mass spectrometer. In our measurements, it is indicated that the volume flow rate of argon is larger than that of helium because of the difference in the tangential momentum accommodation coefficient.

Status of Long Coil Production for the MQXFB Nb3Sn Prototype Quadrupole for the HiLumi LHC

Energy Technology Data Exchange (ETDEWEB)

Lackner, Friedrich; Ferracin, Paolo; Todesco, Ezio; Triquet, Stephan; Pozzobon, Marc; Luzieux, S.; Perez, J. C.; Scheuerlein, Christian; Cavanna, Eugenio; Ohnweiler, Timm; Revilak, Philipp; Genestier, Thibault; Principe, Rosario; Prin, Herve; Duret, Max; Savary, Frederic

2017-01-01

The High luminosity LHC upgrade target is to increase the integrated luminosity by a factor 10, resulting in an integrated luminosity of 3000 fb-1. One major improvement foreseen is the reduction of the beam size at the collision points. This requires the development of 150 mm single aperture quadrupoles for the interaction regions. These quadrupoles are under development in a joint collaboration between CERN and the US-LHC Accelerator Research Program (LARP). The chosen approach for achieving a nominal quadrupole field gradient of 132.6 T/m is based on the Nb3Sn technology. The coils with a length of 7281 mm will be the longest Nb3Sn coils fabricated so far for accelerator magnets. The production of the long coils was launched in 2016 based on practise coils made from copper. This paper provides a status of the production of the first low grade and full performance coils and describes the production process and applied quality control. Furthermore an outlook for the prototype assembly is provided.

Design of the 70 mm twin aperture superconducting quadrupole for the LHC dump insertion

CERN Document Server

Kirby, G A; Taylor, T M; Trinquart, G

1996-01-01

The LHC dump insertion features a pair of superconducting quadrupoles located on either side of a 340 m long straight section. Two horizontally deflecting kickers, located in between the quadrupole pairs, and a septum in the centre of the insertion, vertically deflect the two counter-rotating beams past the quadrupoles on the downstream sides, and into the dump areas. Due to the layout, the optical ß function in the quadrupoles is around 640 m, the largest around the LHC at injection. The quadrupoles must therefore have enlarged aperture and specially designed cryostats to allow for the safe passage of both the circulating and ejected beams. In this paper we present the design of the twin aperture dump quadrupole based on the 70 mm four layer coil proposed for the LHC low-ß quadrupoles. In preparation for model construction, we report on improvements of the coil design and a study of the retaining structures.

CESAR, 2 MeV electron storage ring; construction period; quadrupole.

CERN Multimedia

Service Photo; CERN PhotoLab

1962-01-01

One of the 24 quadrupoles. They were made of massive (non-laminated) soft iron, which at the low field-strength (35 G on the pole-tips) presented problems. Later they were fitted with shims on all 4 poles, to correct the quadrupole and sextupole components.

Excitation of giant monopole and quadrupole resonances

Energy Technology Data Exchange (ETDEWEB)

Ogata, H. [Osaka Univ., Suita (Japan). Research Center for Nuclear Physics; Yamagata, T.; Tanaka, M. [and others; Ikegami, H.; Muraoka, M. [eds.; Osaka Univ., Suita (Japan). Research Center for Nuclear Physics

1980-01-01

Recent studies on the giant monopole resonance (GMR) and the giant quadrupole resonance (GQR) in /sup 144/Sm and /sup 208/Pb using the ..cap alpha..-scattering performed at RCNP are summarized. The observed angular range covered 1.6/sup 0/ -- 7/sup 0/ with a coupled system of a dipole and a triplet quadrupole magnet. The incident energy was changed from 84 to 119 MeV. The resonance shapes and energy-weighted sum-rule strengths of the GMR and the GQR were reliably deduced as a function of incident energy. The quadrupole strength of --20% was found in the GMR region. The observed excitation function of the GMR was compared with the DWBA calculation, in which the Satchler's Version I was used as a form factor representing the compressional motion of the nucleus. It was found that the experimental excitation function of the GMR shows steeper decrease as lowering the incident energy than the DWBA prediction whereas that of the GQR is successfully described by the DWBA. This suggests that examination of the model describing the GMR is necessary.

Puzzle of the 6Li Quadrupole Moment: Steps toward Solving It

International Nuclear Information System (INIS)

Blokhintsev, L.D.; Kukulin, V.I.; Pomerantsev, V.N.

2005-01-01

The problem of the origin of the quadrupole deformation in the 6 Li ground state is investigated with allowance for the three-deuteron component of the 6 Li wave function. Two long-standing puzzles related to the tensor interaction in the 6 Li nucleus are known: that of an anomalous smallness of the 6 Li quadrupole moment (being negative, it is smaller in magnitude than the 7 Li quadrupole moment by a factor of 5) and that of an anomalous behavior of the tensor analyzing power T 2q in the scattering of polarized 6 Li nuclei on various targets. It is shown that a large (in magnitude) negative exchange contribution to the 6 Li quadrupole moment from the three-deuteron configuration cancels almost completely the 'direct' positive contribution due to the αd folding potential. As a result, the total quadrupole moment proves to be close to zero and highly sensitive to fine details of the tensor nucleon-nucleon interaction in the 4 He nucleus and of its wave function

Determination of diffusion coefficients of hydrogen and deuterium in Zr–2.5%Nb pressure tube material using hot vacuum extraction-quadrupole mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Shrivastava, Komal Chandra, E-mail: komal@barc.gov.in [Radioanalytical Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Kulkarni, A.S.; Ramanjaneyulu, P.S. [Radioanalytical Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Sunil, Saurav [Mechanical Metallurgy Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Saxena, M.K. [Radioanalytical Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Singh, R.N. [Mechanical Metallurgy Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Tomar, B.S.; Ramakumar, K.L. [Radioanalytical Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India)

2015-06-15

The diffusion coefficients of hydrogen and deuterium in Zr–2.5%Nb alloy were measured in the temperature range 523 to 673 K, employing hot vacuum extraction-quadrupole mass spectrometry (HVE-QMS). One end of the Zr–2.5%Nb alloy specimens was charged electrolytically with the desired hydrogen isotope. After annealing at different temperatures for a predetermined time, the specimens were cut into thin slices, which were analyzed for their H{sub 2}/D{sub 2} content using the HVE-QMS technique. The depth profile data were fitted into the equation representing the solution of Fick’s second law of diffusion. The activation energy of hydrogen/deuterium diffusion was obtained from the Arrhenius relation between the diffusion coefficient and temperature. The temperature dependent diffusion coefficient can be represented as D{sub H} = 1.41 × 10{sup −7} exp(−36,000/RT) and D{sub D} = 6.16 × 10{sup −8} exp(−35,262/RT) for hydrogen and deuterium, respectively.

Isabelle dipole and quadrupole coil configurations

International Nuclear Information System (INIS)

Dahl, P.F.; Hahn, H.

1980-01-01

The coil configurations of the ISABELLE dipole and quadrupole magnets have been reviewed and a number of improvements were suggested for incorporation into the final design. The coil designs are basically single layer multiple block approximations to cosine current distributions, wound from a high aspect ratio non-keystoned braided conductor. The blocks are separated by knife-edge wedges to maximize the quench propagation velocity. The current density variation is obtained by an appropriate distribution of the spacer turns and, to a lesser degree, by the wedge locations. The use of inert turns is necessary to minimize the peak field enhancement both in the ends and in the two dimensional section. Schemes for deriving turns distributions yielding harmonic coefficients satisfying the stringent ISABELLE tolerances on field uniformity, while allowing for simplicity in winding and taking into account quench propagation considerations, will be discussed, as well as our approach to the coil end configuration

Permanent quadrupole magnets

International Nuclear Information System (INIS)

Bush, E.D. Jr.

1976-01-01

A family of quadrupole magnets using a soft iron return yoke and circular cross-section permanent magnet poles were fabricated to investigate the feasibility for use in ion or electron beam focusing applications in accelerators and transport lines. Magnetic field measurements yielded promising results. In fixed-field applications, permanent magnets with sufficient gradients would be a low cost substitute for conventional electromagnets, eliminating the need for power supplies, associated wiring, and cooling. (author)

Theoretical study of the mode of the mass-selective nonstable axial output ions from the nonlinear trap

International Nuclear Information System (INIS)

Sudakov, M.Yu.

2000-01-01

One studied theoretically the mode of mass-selective unstable output of ions from three-dimensional quadrupole ion trap. One developed a method represent coordinates of ions per one period of supplying HF voltage with regard to nonlinear distortions of quadrupole potential. One derived equation for an envelope of ion oscillations in the form of motion equation of mass point in the efficient force field. One explained the effect of output delay of ions at presence of the field negative even harmonics. One proved that the positive even distortions of quadrupole potential favored realization of that mode and studied the dynamics of ions in the course of output [ru

Analysis of psychoactive substances in water by information dependent acquisition on a hybrid quadrupole time-of-flight mass spectrometer.

Science.gov (United States)

Andrés-Costa, María Jesús; Andreu, Vicente; Picó, Yolanda

2016-08-26

Emerging drugs of abuse, belonging to many different chemical classes, are attracting users with promises of "legal" highs and easy access via internet. Prevalence of their consumption and abuse through wastewater-based epidemiology can only be realized if a suitable analytical screening procedure exists to detect and quantify them in water. Solid-phase extraction and ultra-high performance liquid chromatography quadrupole time-of-flight-mass spectrometry (UHPLC-QqTOF-MS/MS) was applied for rapid suspect screening as well as for the quantitative determination of 42 illicit drugs and metabolites in water. Using this platform, we were able to identify amphetamines, tryptamines, piperazines, pyrrolidinophenones, arylcyclohexylamines, cocainics, opioids and cannabinoids. Additionally, paracetamol, carbamazepine, ibersartan, valsartan, sulfamethoxazole, terbumeton, diuron, etc. (including degradation products as 3-hydroxy carbamazepine or deethylterbuthylazine) were detected. This method encompasses easy sample preparation and rapid identification of psychoactive drugs against a database that cover more than 2000 compounds that ionized in positive mode, and possibility to identify metabolites and degradation products as well as unknown compounds. The method for river water, influent and effluents samples was fully validated for the target psychoactive substances including assessment of matrix effects (-88-67.8%), recovery (42-115%), precision (psychoactive drugs biomarkers and other water contaminants is demonstrated. Copyright © 2016 Elsevier B.V. All rights reserved.

Metabolite Analysis of Toosendanin by an Ultra-High Performance Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry Technique

Directory of Open Access Journals (Sweden)

Na Li

2013-09-01

Full Text Available Toosendanin is the major bioactive component of Melia toosendan Sieb. et Zucc., which is traditionally used for treatment of abdominal pain and as an insecticide. Previous studies reported that toosendanin possesses hepatotoxicity, but the mechanism remains unknown. Its bioavailability in rats is low, which indicates the hepatotoxicity might be induced by its metabolites. In this connection, in the current study, we examined the metabolites obtained by incubating toosendanin with human live microsomes, and then six of these metabolites (M1–M6 were identified for the first time by ultra-high performance liquid chromatography-quadrupole-time of flight mass spectrometry (UHPLC-Q-TOF/MS. Further analysis on the MS spectra showed M1, M2, and M3 are oxidative products and M6 is a dehydrogenation product, while M4 and M5 are oxidative and dehydrogenation products of toosendanin. Moreover, their possible structures were deduced from the MS/MS spectral features. Quantitative analysis demonstrated that M1-M5 levels rapidly increased and reached a plateau at 30 min, while M6 rapidly reached a maximal level at 20 min and then decreased slowly afterwards. These findings have provided valuable data not only for understanding the metabolic fate of toosendanin in liver microsomes, but also for elucidating the possible molecular mechanism of its hepatotoxicity.

Nuclear quadrupole interactions in ferroelectric compounds of HF181

International Nuclear Information System (INIS)

Kunzler, J.V.

1971-01-01

Measurements of nuclear quadrupole interaction constants in perovkite-type compounds of PbHfO 3 , SnhfO 3 , CaHfO 3 e SrHfO 3 have been performed using the perturbed angular correlation technique. A range of fundamental frequencies from 150 to 550 Megaradians persecond was determined. The variation of quadrupole constants has been discussed through the molecular orbital theory

Rotating effects on the Landau quantization for an atom with a magnetic quadrupole moment

Energy Technology Data Exchange (ETDEWEB)

Fonseca, I. C.; Bakke, K., E-mail: kbakke@fisica.ufpb.br [Departamento de Física, Universidade Federal da Paraíba, Caixa Postal 5008, João Pessoa, PB 58051-970 (Brazil)

2016-01-07

Based on the single particle approximation [Dmitriev et al., Phys. Rev. C 50, 2358 (1994) and C.-C. Chen, Phys. Rev. A 51, 2611 (1995)], the Landau quantization associated with an atom with a magnetic quadrupole moment is introduced, and then, rotating effects on this analogue of the Landau quantization is investigated. It is shown that rotating effects can modify the cyclotron frequency and breaks the degeneracy of the analogue of the Landau levels.

Rotating effects on the Landau quantization for an atom with a magnetic quadrupole moment

Science.gov (United States)

Fonseca, I. C.; Bakke, K.

2016-01-01

Based on the single particle approximation [Dmitriev et al., Phys. Rev. C 50, 2358 (1994) and C.-C. Chen, Phys. Rev. A 51, 2611 (1995)], the Landau quantization associated with an atom with a magnetic quadrupole moment is introduced, and then, rotating effects on this analogue of the Landau quantization is investigated. It is shown that rotating effects can modify the cyclotron frequency and breaks the degeneracy of the analogue of the Landau levels.

Rotating effects on the Landau quantization for an atom with a magnetic quadrupole moment

International Nuclear Information System (INIS)

Fonseca, I. C.; Bakke, K.

2016-01-01

Based on the single particle approximation [Dmitriev et al., Phys. Rev. C 50, 2358 (1994) and C.-C. Chen, Phys. Rev. A 51, 2611 (1995)], the Landau quantization associated with an atom with a magnetic quadrupole moment is introduced, and then, rotating effects on this analogue of the Landau quantization is investigated. It is shown that rotating effects can modify the cyclotron frequency and breaks the degeneracy of the analogue of the Landau levels

On-target digestion of collected bacteria for MALDI mass spectrometry.

Science.gov (United States)

Dugas, Alton J; Murray, Kermit K

2008-10-03

An on-target protein digestion system was developed for the identification of microorganisms in collected bioaerosols using off-line matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS). Bacteria analysis techniques based on MALDI-MS were adapted for use with an orthogonal MALDI quadrupole-time-of-flight mass spectrometer. Bioaerosols were generated using a pneumatic nebulizer and infused into a chamber for sampling. An Andersen N6 single-stage impactor was used to collect the bioaerosols on a MALDI target. On-target digestion was carried out inside temporary mini-wells placed over the impacted samples. The wells served as miniature reactors for proteolysis. Collected test aerosol particles containing the protein cytochrome c and E. coli bacteria were proteolyzed in situ using trypsin or cyanogen bromide. A total of 19 unique proteins were identified for E. coli. Using the TOF-MS spectra of the digested samples, peptide mass mapping was performed using the MASCOT search engine and an iterative search technique.

Single-particle motion in large-amplitude quadrupole shape transition

International Nuclear Information System (INIS)

Yamada, Kazuya

1991-01-01

The microscopic structure of the single-particle motion for the spherical-deformed transitional nuclei is analysed by using the self-consistent collective-coordinate method (SCC method). The single-particle motion in the moving-frame of reference called the collective vibrating coordinate frame is introduced by the generalized Bogoliubov transformation depending on the collective coordinate. The numerical calculations of the single-particle (quasi-particle) energy level diagrams and their occupation probabilities for the static deformation are carried out for the Sm isotopes. A clear change of the single-particle distribution structure appears in the course of deformation. (author)

Warm magnetic measurements of MCBCs: comparison between the results obtained with the Quadrupole Industrial Magnetic Measurement and the Corrector Industrial Magnetic Measurement systems

CERN Document Server

Remondino, Vittorio; Catalan-Lasheras, N

2005-01-01

MCBCs modules are first magnetically measured at Tesla using a second-generation Corrector Industrial Magnetic Measurement (CIMM). After assembly into the SSS quadrupoles, measurements are repeated at CERN using the Quadrupole Industrial Magnetic Measurement (QIMM) system. In this note, we compare the measurements provided by the two systems. In all the 18 cases examined, the correlation found is excellent. The consistency of the results obtained indicates that both systems are effective, that modules are correctly measured by the firm personnel and that magnetic characteristics of the modules do not change during their assembly in cold masses.

Screening of 485 Pesticide Residues in Fruits and Vegetables by Liquid Chromatography-Quadrupole-Time-of-Flight Mass Spectrometry Based on TOF Accurate Mass Database and QTOF Spectrum Library.

Science.gov (United States)

Pang, Guo-Fang; Fan, Chun-Lin; Chang, Qiao-Ying; Li, Jian-Xun; Kang, Jian; Lu, Mei-Ling

2018-03-22

This paper uses the LC-quadrupole-time-of-flight MS technique to evaluate the behavioral characteristics of MSof 485 pesticides under different conditions and has developed an accurate mass database and spectra library. A high-throughput screening and confirmation method has been developed for the 485 pesticides in fruits and vegetables. Through the optimization of parameters such as accurate mass number, time of retention window, ionization forms, etc., the method has improved the accuracy of pesticide screening, thus avoiding the occurrence of false-positive and false-negative results. The method features a full scan of fragments, with 80% of pesticide qualitative points over 10, which helps increase pesticide qualitative accuracy. The abundant differences of fragment categories help realize the effective separation and qualitative identification of isomer pesticides. Four different fruits and vegetables-apples, grapes, celery, and tomatoes-were chosen to evaluate the efficiency of the method at three fortification levels of 5, 10, and 20 μg/kg, and satisfactory results were obtained. With this method, a national survey of pesticide residues was conducted between 2012 and 2015 for 12 551 samples of 146 different fruits and vegetables collected from 638 sampling points in 284 counties across 31 provincial capitals/cities directly under the central government, which provided scientific data backup for ensuring pesticide residue safety of the fruits and vegetables consumed daily by the public. Meanwhile, the big data statistical analysis of the new technique also further proves it to be of high speed, high throughput, high accuracy, high reliability, and high informatization.

Multiple and sequential data acquisition method: an improved method for fragmentation and detection of cross-linked peptides on a hybrid linear trap quadrupole Orbitrap Velos mass spectrometer.

Science.gov (United States)

Rudashevskaya, Elena L; Breitwieser, Florian P; Huber, Marie L; Colinge, Jacques; Müller, André C; Bennett, Keiryn L

2013-02-05

The identification and validation of cross-linked peptides by mass spectrometry remains a daunting challenge for protein-protein cross-linking approaches when investigating protein interactions. This includes the fragmentation of cross-linked peptides in the mass spectrometer per se and following database searching, the matching of the molecular masses of the fragment ions to the correct cross-linked peptides. The hybrid linear trap quadrupole (LTQ) Orbitrap Velos combines the speed of the tandem mass spectrometry (MS/MS) duty circle with high mass accuracy, and these features were utilized in the current study to substantially improve the confidence in the identification of cross-linked peptides. An MS/MS method termed multiple and sequential data acquisition method (MSDAM) was developed. Preliminary optimization of the MS/MS settings was performed with a synthetic peptide (TP1) cross-linked with bis[sulfosuccinimidyl] suberate (BS(3)). On the basis of these results, MSDAM was created and assessed on the BS(3)-cross-linked bovine serum albumin (BSA) homodimer. MSDAM applies a series of multiple sequential fragmentation events with a range of different normalized collision energies (NCE) to the same precursor ion. The combination of a series of NCE enabled a considerable improvement in the quality of the fragmentation spectra for cross-linked peptides, and ultimately aided in the identification of the sequences of the cross-linked peptides. Concurrently, MSDAM provides confirmatory evidence from the formation of reporter ions fragments, which reduces the false positive rate of incorrectly assigned cross-linked peptides.

Moment of inertia, quadrupole moment, Love number of neutron star and their relations with strange-matter equations of state

Science.gov (United States)

Bandyopadhyay, Debades; Bhat, Sajad A.; Char, Prasanta; Chatterjee, Debarati

2018-02-01

We investigate the impact of strange-matter equations of state involving Λ hyperons, Bose-Einstein condensate of K- mesons and first-order hadron-quark phase transition on moment of inertia, quadrupole moment and tidal deformability parameter of slowly rotating neutron stars. All these equations of state are compatible with the 2 M_{solar} constraint. The main findings of this investigation are the universality of the I- Q and I -Love number relations, which are preserved by the EoSs including Λ hyperons and antikaon condensates, but broken in the presence of a first-order hadron-quark phase transition. Furthermore, it is also noted that the quadrupole moment approaches the Kerr value of a black hole for maximum-mass neutron stars.

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

Energy Technology Data Exchange (ETDEWEB)

Portolés, T. [Research Institute for Pesticides and Water, University Jaume I, 12071 Castellón (Spain); RIKILT Institute of Food Safety, Wageningen University and Research Centre, Akkermaalsbos 2, 6708 WB Wageningen (Netherlands); Mol, J.G.J. [RIKILT Institute of Food Safety, Wageningen University and Research Centre, Akkermaalsbos 2, 6708 WB Wageningen (Netherlands); Sancho, J.V.; López, Francisco J. [Research Institute for Pesticides and Water, University Jaume I, 12071 Castellón (Spain); Hernández, F., E-mail: hernandf@uji.es [Research Institute for Pesticides and Water, University Jaume I, 12071 Castellón (Spain)

2014-08-01

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

Comparison of conventional and novel quadrupole drift tube magnets inspired by Klaus Halbach

Energy Technology Data Exchange (ETDEWEB)

Feinberg, B. [Lawrence Berkeley Lab., CA (United States)

1995-02-01

Quadrupole drift tube magnets for a heavy-ion linac provide a demanding application of magnet technology. A comparison is made of three different solutions to the problem of providing an adjustable high-field-strength quadrupole magnet in a small volume. A conventional tape-wound electromagnet quadrupole magnet (conventional) is compared with an adjustable permanent-magnet/iron quadrupole magnet (hybrid) and a laced permanent-magnet/iron/electromagnet (laced). Data is presented from magnets constructed for the SuperHILAC heavy-ion linear accelerator, and conclusions are drawn for various applications.

Dynamical quadrupole structure factor of frustrated ferromagnetic chain

Science.gov (United States)

Onishi, Hiroaki

2018-05-01

We investigate the dynamical quadrupole structure factor of a spin-1/2 J1-J2 Heisenberg chain with competing ferromagnetic J1 and antiferromagnetic J2 in a magnetic field by exploiting density-matrix renormalization group techniques. In a field-induced spin nematic regime, we observe gapless excitations at q = π according to quasi-long-range antiferro-quadrupole correlations. The gapless excitation mode has a quadratic form at the saturation, while it changes into a linear dispersion as the magnetization decreases.

Quadrupole moment of the superdeformed band in 131Ce

International Nuclear Information System (INIS)

He, Y.; Godfrey, M.J.; Jenkins, I.; Kirwan, A.J.; Nolan, P.J.

1990-01-01

A mean lifetime measurement has been carried out on the states in the superdeformed band found in 131 Ce using the Doppler shift attenuation method (DSAM). The measured intrinsic nuclear quadrupole moment is Q o approx= 6 eb, assuming constant deformation, which corresponds to a quadrupole deformation β 2 approx= 0.35. This is considerably smaller than the value deduced for 132 Ce. (author)

Sudden change of quadrupole moment between the first 5/2- states of 197Hg and 199Hg

International Nuclear Information System (INIS)

Herzog, P.; Krien, K.; Freitag, M.; Reuschenbach, M.; Walitzki, H.

1980-01-01

Low-temperature time differential perturbed angular correlation experiments with the 164 KeV-134 keV cascade of sup(197m)Hg in a zinc matrix give evidence that the hitherto accepted value of the quadrupole moment of the first 5/2 - state of 197 Hg is erroneous. A new value is derived from a time differential perturbed angular correlation experiment with the 374 keV-158 keV cascade of sup(199m)Hg implanted into a Be single crystal and comparison with an analogous experiment for sup(197m)Hg. Taking Q(5/2 - , 199 Hg) = +0.95(7) b we derive Q(5/2 - , 197 Hg) = 0.081(6) b. This change of quadrupole moment is discussed in the framework of the shell model. (orig.)

Computation of a quadrupole magnet for the APS storage ring

Energy Technology Data Exchange (ETDEWEB)

Turner, L.R.; Kim, S.H.; Thompson, K.M.

1990-01-01

The storage ring of the Advanced Photon Source will include 400 quadrupole magnets for focusing the beam. A prototype quadrupole has been designed, constructed, and measured. This paper describes the two- and three-dimensional (2-D and 3-D) field computations performed for this design. 2 refs., 6 figs., 1 tab.

A rapid method for simultaneous determination of 52 marker compounds in Xiao-Qing-Long-Tang by ultra high performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Zhou, Lei; Qi, Wen; Xu, Cong; Makino, Toshiaki; Yuan, Dan

2014-11-01

Xiao-Qing-Long-Tang (XQLT) is a classical Chinese medicine formula. It is generally used for the treatment of common cold, bronchial asthma, and allergic rhinitis in Asia. In this study, a multicomponent quantification fingerprinting approach based on ultra high performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry has been developed for the analysis of compounds in XQLT in 14.5 min. A total of 52 compounds were identified by co-chromatography of sample extract with authentic standards and comparing the retention time, UV spectra, molecular ions and characteristic fragment ions with those of authentic standards, or tentatively identified by MS(E) determination along with Mass Fragment software. Moreover, the method was validated for the simultaneous quantification of 16 components in XQLT commercial products. The method is practical for comprehensive standardization of XQLT and holistic comparison of its commercial products from different manufacturers. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

[Simultaneous determination of 22 typical pharmaceuticals and personal care products in environmental water using ultra performance liquid chromatography- triple quadrupole mass spectrometry].

Science.gov (United States)

Wu, Chunying; Gu, Feng; Bai, Lu; Lu, Wenlong

2015-08-01

An analytical method for simultaneous determination of 22 typical pharmaceuticals and personal care products (PPCPs) in environmental water samples was developed by ultra performance liquid chromatography-triple quadrupole mass spectrometry (UPLC-MS/MS). An Oasis HLB solid phase extraction cartridge, methanol as washing solution, water containing 0. 1% formic acid-methanol (7:3, v/v) as the mobile phases were selected for sample pretreatment and chromatographic separation. Based on the optimized sample pretreatment procedures and separation condition, the target recoveries ranged from 73% to 125% in water with the relative standard deviations ( RSDs) from 8.8% to 17.5%, and the linear ranges were from 2 to 2 000 µg/L with correlation coefficients (R2) not less than 0.997. The method can be applied to simultaneous determination of the 22 typical PPCPs in environmental water samples because of its low detection limits and high recoveries. It can provide support and help for the related research on water environmental risk assessment and control of the micro-organic pollutants.

Origin-independent calculation of quadrupole intensities in X-ray spectroscopy

International Nuclear Information System (INIS)

Bernadotte, Stephan; Atkins, Andrew J.; Jacob, Christoph R.

2012-01-01

For electronic excitations in the ultraviolet and visible range of the electromagnetic spectrum, the intensities are usually calculated within the dipole approximation, which assumes that the oscillating electric field is constant over the length scale of the transition. For the short wavelengths used in hard X-ray spectroscopy, the dipole approximation may not be adequate. In particular, for metal K-edge X-ray absorption spectroscopy (XAS), it becomes necessary to include higher-order contributions. In quantum-chemical approaches to X-ray spectroscopy, these so-called quadrupole intensities have so far been calculated by including contributions depending on the square of the electric-quadrupole and magnetic-dipole transition moments. However, the resulting quadrupole intensities depend on the choice of the origin of the coordinate system. Here, we show that for obtaining an origin-independent theory, one has to include all contributions that are of the same order in the wave vector consistently. This leads to two additional contributions depending on products of the electric-dipole and electric-octupole and of the electric-dipole and magnetic-quadrupole transition moments, respectively. We have implemented such an origin-independent calculation of quadrupole intensities in XAS within time-dependent density-functional theory, and demonstrate its usefulness for the calculation of metal and ligand K-edge XAS spectra of transition metal complexes.

Nontarget analysis of polar contaminants in freshwater sediments influenced by pharmaceutical industry using ultra-high-pressure liquid chromatography-quadrupole time-of-flight mass spectrometry

International Nuclear Information System (INIS)

Terzic, Senka; Ahel, Marijan

2011-01-01

A comprehensive analytical procedure for a reliable identification of nontarget polar contaminants in aquatic sediments was developed, based on the application of ultra-high-pressure liquid chromatography (UHPLC) coupled to hybrid quadrupole time-of-flight mass spectrometry (QTOFMS). The procedure was applied for the analysis of freshwater sediment that was highly impacted by wastewater discharges from the pharmaceutical industry. A number of different contaminants were successfully identified owing to the high mass accuracy of the QTOFMS system, used in combination with high chromatographic resolution of UHPLC. The major compounds, identified in investigated sediment, included a series of polypropylene glycols (n = 3-16), alkylbenzene sulfonate and benzalkonium surfactants as well as a number of various pharmaceuticals (chlorthalidone, warfarin, terbinafine, torsemide, zolpidem and macrolide antibiotics). The particular advantage of the applied technique is its capability to detect less known pharmaceutical intermediates and/or transformation products, which have not been previously reported in freshwater sediments. - Research highlights: → UHPLC-QTOFMS coupling was applied for nontarget analysis of polar contaminants. → Wide spectrum of polar contaminants was identified in polluted sediments. → Pharmaceuticals and their intermediates were present in high concentrations. - Comprehensive analysis of freshwater sediments by UPLC/QTOF indicated importance of pharmaceutically-derived polar contaminants.

Development of LHC-IR model quadrupoles in the US

CERN Document Server

Sabbi, G

2007-01-01

Insertion quadrupoles with large aperture and high gradient are required to achieve the luminosity upgrade goal of 1035 cm-2 s-1 at the Large Hadron Collider (LHC). In 2004, the US Department of Energy established the LHC Accelerator Research Program (LARP) to develop a technology base for the upgrade. The focus of the magnet program, which is a collaboration of three US laboratories, BNL, FNAL and LBNL, is on development of high gradient quadrupoles using Nb$_{3}$Sn in order to operate at high field and with sufficient temperature margin. Other program components address issues regarding magnet design, radiation-hard materials, long magnet scale-up, quench protection, fabrication techniques and conductor and cable R&D. This paper reports on the development od model quadrupoles and outlines the long-term goals of the program.

Communication: On the isotope anomaly of nuclear quadrupole coupling in molecules

Science.gov (United States)

Filatov, Michael; Zou, Wenli; Cremer, Dieter

2012-10-01

The dependence of the nuclear quadrupole coupling constants (NQCC) on the interaction between electrons and a nucleus of finite size is theoretically analyzed. A deviation of the ratio of the NQCCs obtained from two different isotopomers of a molecule from the ratio of the corresponding bare nuclear electric quadrupole moments, known as quadrupole anomaly, is interpreted in terms of the logarithmic derivatives of the electric field gradient at the nuclear site with respect to the nuclear charge radius. Quantum chemical calculations based on a Dirac-exact relativistic methodology suggest that the effect of the changing size of the Au nucleus in different isotopomers can be observed for Au-containing molecules, for which the predicted quadrupole anomaly reaches values of the order of 0.1%. This is experimentally detectable and provides an insight into the charge distribution of non-spherical nuclei.

Energy Extraction Resistors for the Main Dipole and Quadrupole Circuits of the LHC

CERN Document Server

Dahlerup-Petersen, K; Popov, V; Sytchev, V V; Vasilev, L B; Zubko, V G

2000-01-01

When the LHC will be operating at its maximum beam energy, its superconducting dipole chains store a total magnetic energy of more than 11 GJ. At the same time, the QF and QD quadrupole circuits store a total energy of 400 MJ. Even with the sectorisation of each of the three principal power circuits into eight individually powered segments, the stored energy of a single circuit is considerable. During normal operation the energy in the dipole circuits is safely returned to the mains grid, using the thyristor-based, 'booster' unit of the power converters, operating in inversion. For the quadrupole chains, where the converter is of a mono-polar topology, the stored energy is dissipated into the resistive part of the warm d.c. power lines (busbars and cables) in a slow, controlled run-down. When a magnet quenches, however, such a slow energy transfer, taking 20 minutes from the rated LHC current, will not be possible. The 'cold' diode, taking over the magnet current in case of a quench, will not survive this slo...

Matrix interference evaluation employing GC and LC coupled to triple quadrupole tandem mass spectrometry.

Science.gov (United States)

Uclés, S; Lozano, A; Sosa, A; Parrilla Vázquez, P; Valverde, A; Fernández-Alba, A R

2017-11-01

Gas and liquid chromatography coupled to triple quadrupole tandem mass spectrometry are currently the most powerful tools employed for the routine analysis of pesticide residues in food control laboratories. However, whatever the multiresidue extraction method, there will be a residual matrix effect making it difficult to identify/quantify some specific compounds in certain cases. Two main effects stand out: (i) co-elution with isobaric matrix interferents, which can be a major drawback for unequivocal identification, and therefore false negative detections, and (ii) signal suppression/enhancement, commonly called the "matrix effect", which may cause serious problems including inaccurate quantitation, low analyte detectability and increased method uncertainty. The aim of this analytical study is to provide a framework for evaluating the maximum expected errors associated with the matrix effects. The worst-case study contrived to give an estimation of the extreme errors caused by matrix effects when extraction/determination protocols are applied in routine multiresidue analysis. Twenty-five different blank matrices extracted with the four most common extraction methods used in routine analysis (citrate QuEChERS with/without PSA clean-up, ethyl acetate and the Dutch mini-Luke "NL" methods) were evaluated by both GC-QqQ-MS/MS and LC-QqQ-MS/MS. The results showed that the presence of matrix compounds with isobaric transitions to target pesticides was higher in GC than under LC in the experimental conditions tested. In a second study, the number of "potential" false negatives was evaluated. For that, ten matrices with higher percentages of natural interfering components were checked. Additionally, the results showed that for more than 90% of the cases, pesticide quantification was not affected by matrix-matched standard calibration when an interferent was kept constant along the calibration curve. The error in quantification depended on the concentration level. In a

Compound-Specific Chlorine Isotope Analysis of Tetrachloromethane and Trichloromethane by Gas Chromatography-Isotope Ratio Mass Spectrometry vs Gas Chromatography-Quadrupole Mass Spectrometry: Method Development and Evaluation of Precision and Trueness.

Science.gov (United States)

Heckel, Benjamin; Rodríguez-Fernández, Diana; Torrentó, Clara; Meyer, Armin; Palau, Jordi; Domènech, Cristina; Rosell, Mònica; Soler, Albert; Hunkeler, Daniel; Elsner, Martin

2017-03-21

Compound-specific chlorine isotope analysis of tetrachloromethane (CCl 4 ) and trichloromethane (CHCl 3 ) was explored by both, gas chromatography-isotope ratio mass spectrometry (GC-IRMS) and GC-quadrupole MS (GC-qMS), where GC-qMS was validated in an interlaboratory comparison between Munich and Neuchâtel with the same type of commercial GC-qMS instrument. GC-IRMS measurements analyzed CCl isotopologue ions, whereas GC-qMS analyzed the isotopologue ions CCl 3 , CCl 2 , CCl (of CCl 4 ) and CHCl 3 , CHCl 2 , CHCl (of CHCl 3 ), respectively. Lowest amount dependence (good linearity) was obtained (i) in H-containing fragment ions where interference of 35 Cl- to 37 Cl-containing ions was avoided; (ii) with tuning parameters favoring one predominant rather than multiple fragment ions in the mass spectra. Optimized GC-qMS parameters (dwell time 70 ms, 2 most abundant ions) resulted in standard deviations of 0.2‰ (CHCl 3 ) and 0.4‰ (CCl 4 ), which are only about twice as large as 0.1‰ and 0.2‰ for GC-IRMS. To compare also the trueness of both methods and laboratories, samples from CCl 4 and CHCl 3 degradation experiments were analyzed and calibrated against isotopically different reference standards for both CCl 4 and CHCl 3 (two of each). Excellent agreement confirms that true results can be obtained by both methods provided that a consistent set of isotopically characterized reference materials is used.

Analysis of the Magnetic Measurements at Room Temperature of the LHC Main Quadrupole Prototypes

CERN Document Server

Peyrot, M; Remondino, Vittorio; Rifflet, J M; Scandale, Walter; Simon, F; Todesco, Ezio; Tortschanoff, Theodor

2000-01-01

The room temperature magnetic measurements of the first series-design prototypes of the LHC main quadrupoles are analysed. Field shape harmonics for the nominal design are worked out using numerical simulations. Data relative to six apertures (three quadrupoles) are considered. The averages of the multipoles are interpreted as the systematic components. The agreement with the nominal design is verified, and possible explanations for discrepancies are worked out. An offset in b6 of around 2.4 units is observed, and can be justified in terms of a coil azimuthal length larger than the nominal value by about 0.1 mm. Standard deviations of the multipoles are interpreted as the random components. We show that the latter can be in-terpreted in terms of random movements of around 25-35 µm r.m.s. of the coil blocks, because of components and assembly tolerances. A good correlation between measurements made on collared coil and the assembled cold mass is found. Comparison with target values for beam dynamics is given.

Application of ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry in identification of three isoflavone glycosides and their corresponding metabolites.

Science.gov (United States)

Xu, Xiafen; Li, Xinhui; Liang, Xianrui

2018-02-15

Metabolites of isoflavones have attracted much attention in recent years due to their potential bioactivities. However, the complex constituents of the metabolic system and the low level of metabolites make them difficult to analyze. A mass spectrometry (MS) method was applied in our identification of metabolites and study of their fragmentation pathways due to the advantages of rapidity, sensitivity, and low level of sample consumption. Three isoflavone glycosides and their metabolites were identified using ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UPLC/QTOF-MS). These metabolites were obtained by anaerobically incubating three isoflavone glycosides with human intestinal flora. The characteristic fragments of isoflavone glycosides and their metabolites were used for the identification work. Two metabolites from ononin, three metabolites from irilone-4'-O-β-D-glucoside, and five metabolites from sissotrin were identified respectively by the retention time (RT), accurate mass, and mass spectral fragmentation patterns. The losses of the glucosyl group, CO from the [M+H] + ion were observed for all the three isoflavone glycosides. The characteristic retro-Diels-Alder (RDA) fragmentation patterns were used to differentiate the compounds. The metabolic pathways of the three isoflavone glycosides were proposed according to the identified chemical structures of the metabolites. A selective, sensitive and rapid method was established for detecting and identifying three isoflavone glycosides and their metabolites using UPLC/QTOF-MS. The established method can be used for further rapid structural identification studies of metabolites and natural products. Furthermore, the proposed metabolic pathways will be helpful for understanding the in vivo metabolic process of isoflavone. Copyright © 2017 John Wiley & Sons, Ltd.

Calculation of the quadrupole-lense fringing field

International Nuclear Information System (INIS)

Arzumanov, A.A.

1978-01-01

With the aim of decreasing the scattering field effect at electrode edge or quadrupole lens poles with conformal transformations the scattering fields of electric quadrupole lens, two-electrode lens with the electrodes in a hyperbola form, as well as magnetic lens with hyperbolic poles are calculated. For the two-electrode system with kappa=0.1 (kappa - is coefficient, characterizing the rate of field intensity change in the lens) field distortion equals 1.8%. The comparison of experimental data with the calculation data has shown that with a rather high accuracy the scattering field effect in electric and magnetic lenses with hyperbolic poles may be taken into account

Electrostatic quadrupole focused particle accelerating assembly with laminar flow beam

International Nuclear Information System (INIS)

Maschke, A. W.

1985-01-01

A charged particle accelerating assembly provided with a predetermined ratio of parametric structural characteristics and with related operating voltages applied to each of its linearly spaced focusing and accelerating quadrupoles, thereby to maintain a particle beam traversing the electrostatic fields of the quadrupoles in the assembly in an essentially laminar flow throughout the assembly

Quadrupole moment in the excited 2Psub(1/2) state

International Nuclear Information System (INIS)

Amusia, M.Ya.; Yakhontov, V.L.

1984-01-01

Computation of the quadrupole moment values in the 2Psub(1/2) states of hydrogen and meso-hydrogen is carried out. It is shown that allowance for the hyperfine interaction of the electron with the proton in the first order of perturbation theory results in giant values of the quadrupole moment of the atoms. (author)

Mass spectra features of biomass burning boiler and coal burning boiler emitted particles by single particle aerosol mass spectrometer.

Science.gov (United States)

Xu, Jiao; Li, Mei; Shi, Guoliang; Wang, Haiting; Ma, Xian; Wu, Jianhui; Shi, Xurong; Feng, Yinchang

2017-11-15

In this study, single particle mass spectra signatures of both coal burning boiler and biomass burning boiler emitted particles were studied. Particle samples were suspended in clean Resuspension Chamber, and analyzed by ELPI and SPAMS simultaneously. The size distribution of BBB (biomass burning boiler sample) and CBB (coal burning boiler sample) are different, as BBB peaks at smaller size, and CBB peaks at larger size. Mass spectra signatures of two samples were studied by analyzing the average mass spectrum of each particle cluster extracted by ART-2a in different size ranges. In conclusion, BBB sample mostly consists of OC and EC containing particles, and a small fraction of K-rich particles in the size range of 0.2-0.5μm. In 0.5-1.0μm, BBB sample consists of EC, OC, K-rich and Al_Silicate containing particles; CBB sample consists of EC, ECOC containing particles, while Al_Silicate (including Al_Ca_Ti_Silicate, Al_Ti_Silicate, Al_Silicate) containing particles got higher fractions as size increase. The similarity of single particle mass spectrum signatures between two samples were studied by analyzing the dot product, results indicated that part of the single particle mass spectra of two samples in the same size range are similar, which bring challenge to the future source apportionment activity by using single particle aerosol mass spectrometer. Results of this study will provide physicochemical information of important sources which contribute to particle pollution, and will support source apportionment activities. Copyright © 2017. Published by Elsevier B.V.

High-throughput screening of pesticide and veterinary drug residues in baby food by liquid chromatography coupled to quadrupole Orbitrap mass spectrometry.

Science.gov (United States)

Jia, Wei; Chu, Xiaogang; Ling, Yun; Huang, Junrong; Chang, James

2014-06-20

A new analytical method was developed and validated for simultaneous analysis of 333 pesticide and veterinary drug residues in baby food. Response surface methodology was employed to optimize a generic extraction method. Ultrahigh-performance liquid chromatography and electrospray ionization quadrupole Orbitrap high-resolution mass spectrometry (UHPLC-ESI Q-Orbitrap) was used for the separation and detection of all the analytes. The method was validated by taking into consideration the guidelines specified in Commission Decision 2002/657/EC and SANCO/12571/2013. The extraction recoveries were in a range of 79.8-110.7%, with coefficient of variation 0.99. The limits of detection for the analytes are in the range 0.01-5.35μgkg(-1). The limits of quantification for the analytes are in the range 0.01-9.27μgkg(-1). This method has been successfully applied on screening of pesticide and veterinary drugs in ninety-three commercial baby food samples, and tilmicosin, fenbendazole, tylosin tartrate and thiabendazole were detected in some samples tested in this study. The present study is very useful for fast screening of different food contaminants. Copyright © 2014 Elsevier B.V. All rights reserved.

Stability of the coherent quadrupole oscillations excited by the beam-beam interaction

International Nuclear Information System (INIS)

Kamiya, Y.; Chao, A.W.

1983-10-01

We study the coherent quadrupole motion in the presence of beam-beam interaction, using a linear approximation to the beam-beam force. The corresponding beam-beam limit is determined by evaluating the eigenvalues of a system of linear equations describing the coherent quadrupole motion. We find that the stability of the quadrupole motions imposes severe limits on the beam current, as is the case for the dipole instability. Preliminary results of this study have appeared elsewhere

Depth-resolved sample composition analysis using laser-induced ablation-quadrupole mass spectrometry and laser-induced breakdown spectroscopy

Science.gov (United States)

Oelmann, J.; Gierse, N.; Li, C.; Brezinsek, S.; Zlobinski, M.; Turan, B.; Haas, S.; Linsmeier, Ch.

2018-06-01

Monitoring a sample's material composition became more and more important over the last years for both - industrial process control as well as for post mortem analysis in research and industrial development. Although material composition identification as well as a comparison with standard samples works fine, there is a lack of diagnostics which can provide quantitative information with depth resolution without any standard samples. We present a novel method utilizing a residual gas analysis with quadrupole mass spectrometry after picosecond laser-induced ablation and release of volatile species. In the present experiment, well characterized multilayer thin film solar cells (μc-Si:H and a-Si:D as p-i-n-junctions on ZnO:Al electrodes) are used as a set of well characterized material samples to demonstrate the capabilities of the new method. The linearity of the spectrometer signal to gas pressure simplifies its calibration and reduces its uncertainties in comparison with other analysis techniques, although high vacuum conditions (10-6 hPa to 10-7 hPa) are required to reach high sensitivity better than the percent-range. Moreover, the laser-ablation based sample analysis requires no preparation of the sample and is flexible regarding ablation rates. The application of a picosecond laser pulse ensures that the thermal penetration depth of the laser is in the same order of magnitude as the ablation rate, which enables to achieve depth resolutions in the order of 100 nm and avoids matrix mixing effects at the edge of the laser-induced crater in the sample.

On quantum quadrupole radiation

International Nuclear Information System (INIS)

Fonda, L.; Mankoc-Borstnik, N.

1981-02-01

In this paper it is shown that for the electromagnetic decay of a quantum system in a coherent rotational state the total quadrupole radiation is proportional to (d 5 Q/dt 5 )(dQ/dt)sup(*)+c.c. For the radiation flux out of a sphere of large radius a different quantity, closer to the classical expression (d 3 Q/dt 3 ) 2 , is found. (author)

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

Science.gov (United States)

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.

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

Science.gov (United States)

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.

The Erez–Rosen metric and the role of the quadrupole on light propagation

International Nuclear Information System (INIS)

Bini, Donato; Crosta, Mariateresa; Vecchiato, Alberto; De Felice, Fernando; Geralico, Andrea

2013-01-01

The gravitational field of a static body with the quadrupole moment is described by an exact solution found by Erez and Rosen. Here, we investigate the role of the quadrupole in the motion, deflection and lensing of a light ray in the above metric. The standard lensing observables such as image positions and magnification have been explicitly obtained in the weak-field and small-quadrupole limit. In this limit, the spacetime metric appears as the natural generalization to quadrupole corrections of the metric form adopted also in current astrometric models. Hence, the corresponding analytical solution of the inverse ray tracing problem and the consistency with other approaches are also discussed. (paper)

In Vitro and in Vivo Metabolite Profiling of Valnemulin Using Ultraperformance Liquid Chromatography–Quadrupole/Time-of-Flight Hybrid Mass Spectrometry

Science.gov (United States)

2015-01-01

Valnemulin, a semisynthetic pleuromutilin derivative related to tiamulin, is broadly used to treat bacterial diseases of animals. Despite its widespread use, metabolism in animals has not yet been fully investigated. To better understand valnemulin biotransformation, in this study, metabolites of valnemulinin in in vitro and in vivo rats, chickens, swines, goats, and cows were identified and elucidated using ultraperformance liquid chromatography–quadrupole/time-of-flight hybrid mass spectrometry (UPLC-Q/TOF-MS). As a result, there were totally 7 metabolites of valnemulin identified in vitro and 75, 61, and 74 metabolites detected in in vivo rats, chickens, and swines, respectively, and the majority of metabolites were reported for the first time. The main metabolic pathways of valnemulin were found to be hydroxylation in the mutilin part (the ring system) and the side chain, oxidization on the sulfur of the side chain to form S-oxides, hydrolysis of the amido bond, and acetylization in the amido of the side chain. In addition, hydroxylation in the mutilin part was proposed to be the primary metabolic route. Furthermore, the results revealed that 2β-hydroxyvalnemulin (V1) and 8α-hydroxyvalnemulin (V2) were the major metabolites for rats and swines and S-oxides (V6) in chickens. PMID:25156794

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

Science.gov (United States)

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.

Correlation of precursor and product ions in single-stage high resolution mass spectrometry. A tool for detecting diagnostic ions and improving the precursor elemental composition elucidation

Energy Technology Data Exchange (ETDEWEB)

Borràs, S. [Departament de Química Analítica, Universitat de Barcelona, Martí i Franquès 1-11, 08028 Barcelona (Spain); Kaufmann, A., E-mail: anton.kaufmann@klzh.ch [Official Food Control Authority, Fehrenstrasse 15, 8032 Zürich (Switzerland); Companyó, R. [Departament de Química Analítica, Universitat de Barcelona, Martí i Franquès 1-11, 08028 Barcelona (Spain)

2013-04-15

Highlights: ► We are describing a technique to spot ions which are derived from each other. ► Single stage high resolution data is used. ► This “in silicon” technique is compared to conventional precursor scan. ► Some applications for this technique are presented. -- Abstract: Monitoring of common diagnostic fragments is essential for recognizing molecules which are members of a particular compound class. Up to now, unit resolving tandem quadrupole mass spectrometers, operating in the precursor ion scan mode, have been typically used to perform such analysis. By means of high-resolution mass spectrometry (HRMS) a much more sensitive and selective detection can be achieved. However, using a single-stage HRMS instrument, there is no unequivocal link to the corresponding precursor ion, since such instrumentation does not permit a previous precursor selection. Thus, to address this limitation, an in silico approach to locate precursor ions, based on diagnostic fragments, was developed. Implemented as an Excel macro, the algorithm rapidly assembles and surveys exact mass data to provide a list of feasible precursor candidates according to the correlation of the chromatographic peak shape profile and other additional filtering criteria (e.g. neutral losses and isotopes). The macro was tested with two families of veterinary drugs, sulfonamides and penicillins, which are known to yield diagnostic product ions when fragmented. Data sets obtained from different food matrices (fish and liver), both at high and low concentration of the target compounds, were investigated in order to evaluate the capabilities and limitations of the reported approach. Finally, other possible applications of this technique, such as the elucidation of elemental compositions based on product ions and corresponding neutral losses, were also presented and discussed.

Correlation of precursor and product ions in single-stage high resolution mass spectrometry. A tool for detecting diagnostic ions and improving the precursor elemental composition elucidation

International Nuclear Information System (INIS)

Borràs, S.; Kaufmann, A.; Companyó, R.

2013-01-01

Highlights: ► We are describing a technique to spot ions which are derived from each other. ► Single stage high resolution data is used. ► This “in silicon” technique is compared to conventional precursor scan. ► Some applications for this technique are presented. -- Abstract: Monitoring of common diagnostic fragments is essential for recognizing molecules which are members of a particular compound class. Up to now, unit resolving tandem quadrupole mass spectrometers, operating in the precursor ion scan mode, have been typically used to perform such analysis. By means of high-resolution mass spectrometry (HRMS) a much more sensitive and selective detection can be achieved. However, using a single-stage HRMS instrument, there is no unequivocal link to the corresponding precursor ion, since such instrumentation does not permit a previous precursor selection. Thus, to address this limitation, an in silico approach to locate precursor ions, based on diagnostic fragments, was developed. Implemented as an Excel macro, the algorithm rapidly assembles and surveys exact mass data to provide a list of feasible precursor candidates according to the correlation of the chromatographic peak shape profile and other additional filtering criteria (e.g. neutral losses and isotopes). The macro was tested with two families of veterinary drugs, sulfonamides and penicillins, which are known to yield diagnostic product ions when fragmented. Data sets obtained from different food matrices (fish and liver), both at high and low concentration of the target compounds, were investigated in order to evaluate the capabilities and limitations of the reported approach. Finally, other possible applications of this technique, such as the elucidation of elemental compositions based on product ions and corresponding neutral losses, were also presented and discussed

Upgrading the Lyon cluster ion accelerator by a radiofrequency quadrupole

International Nuclear Information System (INIS)

Moser, H.O.; Schempp, A.

1987-02-01

The design is presented of an RFQ with variable final energy suitable to post-accelerate cluster ions from the Lyon electrostatic cluster-ion accelerator in the mass ranges from 1 to 25 μ and 1 to 50 μ to kinetic energies of 1.32-2.5 MeV and 2.64-5.0 MeV for cw and pulsed operation, respectively. Furthermore, a beam line is described which matches the electrostatically preaccelerated beam to the RFQ by use of electrostatic quadrupole triplets. When used without RFQ this beam line serves to improve beam parameters on the target, such as the particle flux density or beam divergence. The estimated costs of this project are about DM 345 000.- or FF 1 200 000.- without VAT. (orig.) [de

Electric quadrupole interactions on /sup 12/B and /sup 12/N implanted in Mg studied by nuclear depolarization due to level mixing

Energy Technology Data Exchange (ETDEWEB)

Tanihata, I; Kogo, S; Sugimoto, K [Osaka Univ., Toyonaka (Japan). Lab. of Nuclear Studies

1977-04-25

Electric quadrupole interactions on polarized /sup 12/B and /sup 12/N implanted in a Mg single crystal have been studied by a new method in which the nuclear depolarization due to level mixing caused by an external magnetic field is detected.

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

Science.gov (United States)

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 the mass-ratio distribution, I: single-lined spectroscopic binary stars

NARCIS (Netherlands)

Hogeveen, S.J.

1992-01-01

For single-lined spectroscopic binary stars (sbi), the mass ratio q = Msec=Mprim is calculated from the mass function f(m), which is determined from observations. For statistical investigations of the mass-ratio distribution, the term sin^3 i, that remains in the cubic equation from which q is

Simultaneous ion detection in a mass spectrometer with variable mass dispersion

International Nuclear Information System (INIS)

Tuithof, H.H.

1977-01-01

This thesis mainly describes the ion-optics of a magnetic mass spectrometer system, especially applied to the projection of a significant part of the mass spectrum onto a flat ion-detector. The complete detector consists of a channeltron electron multiplier array with phosphor screen and a Vidicon-multichannel analyzer combination for simultaneous read-out. In order to optimise the spectral range projected onto the channelplate, by varying the mass dispersion and to rotate the oblique angle of the mass focal plane with respect to the detector surface, the sector magnet has been combined with electrostatic and magnetic quadrupole lenses. This detector will find wide application in the analysis of minute sample quantities, in the recording of extremely short ion events (large molecules) and at collision activation mass-spectrometry studies

A quadrupole ion trap as low-energy cluster ion beam source

CERN Document Server

Uchida, N; Kanayama, T

2003-01-01

Kinetic energy distribution of ion beams was measured by a retarding field energy analyzer for a mass-selective cluster ion beam deposition system that uses a quadrupole ion trap as a cluster ion beam source. The results indicated that the system delivers a cluster-ion beam with energy distribution of approx 2 eV, which corresponded well to the calculation results of the trapping potentials in the ion trap. Using this deposition system, mass-selected hydrogenated Si cluster ions Si sub n H sub x sup + were actually deposited on Si(111)-(7x7) surfaces at impact kinetic energy E sub d of 3-30 eV. Observation by using a scanning tunneling microscope (STM) demonstrated that Si sub 6 H sub x sup + cluster ions landed on the surface without decomposition at E sub d =3 eV, while the deposition was destructive at E sub d>=18 eV. (author)

Analysis of magnetic nanoparticles using quadrupole magnetic field-flow fractionation

International Nuclear Information System (INIS)

Carpino, Francesca; Moore, Lee R.; Zborowski, Maciej; Chalmers, Jeffrey J.; Williams, P. Stephen

2005-01-01

The new technique of quadrupole magnetic field-flow fractionation is described. It is a separation and characterization technique for particulate magnetic materials. Components of a sample are eluted from the separation channel at times dependent on the strength of their interaction with the magnetic field. A quadrupole electromagnet allows a programmed reduction of field strength during analysis of polydisperse samples

A homemade high-resolution orthogonal-injection time-of-flight mass spectrometer with a heated capillary inlet

International Nuclear Information System (INIS)

Guo Changjuan; Huang Zhengxu; Gao Wei; Nian Huiqing; Chen Huayong; Dong Junguo; Shen Guoying; Fu Jiamo; Zhou Zhen

2008-01-01

We describe a homemade high-resolution orthogonal-injection time-of-flight (O-TOF) mass spectrometer combing a heated capillary inlet. The O-TOF uses a heated capillary tube combined with a radio-frequency only quadrupole (rf-only quadrupole) as an interface to help the ion transmission from the atmospheric pressure to the low-pressure regions. The principle, configuration of the O-TOF, and the performance of the instrument are introduced in this paper. With electrospray ion source, the performances of the mass resolution, the sensitivity, the mass range, and the mass accuracy are described. We also include our results obtained by coupling atmospheric pressure matrix-assisted laser deporption ionization with this instrument

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).

Science.gov (United States)

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 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)).

Waferscale Electrostatic Quadrupole Array for Multiple Ion Beam Manipulation

OpenAIRE

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

2018-01-01

We report on the first through-wafer silicon-based Electrostatic Quadrupole Array (ESQA) to focus high energy ion beams. This device is a key enabler for a wafer based accelerator architecture that lends itself to orders-of-magnitude reduction in cost, volume and weight of charged particle accelerators. ESQs are a key building block in developing compact Multiple Electrostatic Quadrupole Array Linear Accelerator (MEQALAC) [1]. In a MEQALAC electrostatic forces are used to focus ions, and elec...

Mechanical Design of a Second Generation LHC IR Quadrupole

International Nuclear Information System (INIS)

Caspi, S.; Bartlett, S.E.; Dietderich, D.R.; Ferracin, P.; Gourlay, S.A.; Hafalia, R.R.; Hannaford, C.R.; Lietzke, A.F.; McInturff, A.D.; Sabbi, G.; Scanlan, R.M.

2003-01-01

One of the proposed options to increase the LHC luminosity is the replacement of the existing inner triplets at the Interaction Regions with new low-beta larger aperture quadrupoles operating at the same gradient. Lawrence Berkeley National Laboratory (LBNL) is carrying out preliminary studies of a large-bore Nb 3 Sn quadrupole. The mechanical design presents a support structure based on the use of keys and bladders without self-supporting collars. This technology has been proven effective in several successful common coil Nb 3 Sn dipoles built at LBNL, and it is for the first time applied to a cos(2(var t heta)) design. In this paper we present a detailed analysis of the quadrupole mechanical behavior, demonstrating the possibility of delivering, through this method, well-controlled coil precompression during assembly, cool-down and excitation. The study has been performed with the finite element program ANSYS

A Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry (LC-Q-TOF MS) Study for Analyzing 35 Corticosteroid Compounds: Elucidation of MS/MS Fragmentation Pathways

International Nuclear Information System (INIS)

Noh, Eunyoung; Yoon, Chang-Yong; Lee, Ji Hyun; Baek, Sun-Young; Do, Jung-Ah; Lee, Jung-min; Oh, Han Bin

2016-01-01

Corticosteroids have been often found to be added to a dietary supplement for the purpose of illegally improving the effect of their products. Thus, it is imperative to develop or improve a method that enables one to rapidly and reliably analyze corticosteroids in health or dietary supplements, for the safety management purpose. In the present study, results from liquid chromatography-quadrupole time-of-flight mass spectrometry (LC-Q-TOF-MS) experiments for the selected 35 corticosteroid compounds are presented, which can be useful for the qualitative screening of corticosteroids in health or dietary supplements. Specifically, retention times, accurate mass data of the protonated steroids, m/z values of major fragment ions are given for the 35 corticosteroids. Further, fragmentation pathways for the selected steroids are also suggested. Based on the suggested fragmentation pathways, it was shown that an unknown steroid compound can be readily identified using the knowledge of a group of unique and specific common skeletal fragments. The high selectivity and sensitivity of the LC-Q-TOF-MS/MS results combined with the knowledge of the fragmentation pathways can offer a new opportunity for rapid and accurate screening of corticosteroids, thus preventing health-related incidents involving adulterated products and clamping down on illegally circulated health products.

A Liquid Chromatography-Quadrupole-Time of Flight Mass Spectrometry (LC-Q-TOF MS) Study for Analyzing 35 Corticosteroid Compounds: Elucidation of MS/MS Fragmentation Pathways

Energy Technology Data Exchange (ETDEWEB)

Noh, Eunyoung; Yoon, Chang-Yong; Lee, Ji Hyun; Baek, Sun-Young; Do, Jung-Ah [Ministry of Food and Drug Safety, Cheongju (Korea, Republic of); Lee, Jung-min; Oh, Han Bin [Sogang University, Seoul (Korea, Republic of)

2016-07-15

Corticosteroids have been often found to be added to a dietary supplement for the purpose of illegally improving the effect of their products. Thus, it is imperative to develop or improve a method that enables one to rapidly and reliably analyze corticosteroids in health or dietary supplements, for the safety management purpose. In the present study, results from liquid chromatography-quadrupole time-of-flight mass spectrometry (LC-Q-TOF-MS) experiments for the selected 35 corticosteroid compounds are presented, which can be useful for the qualitative screening of corticosteroids in health or dietary supplements. Specifically, retention times, accurate mass data of the protonated steroids, m/z values of major fragment ions are given for the 35 corticosteroids. Further, fragmentation pathways for the selected steroids are also suggested. Based on the suggested fragmentation pathways, it was shown that an unknown steroid compound can be readily identified using the knowledge of a group of unique and specific common skeletal fragments. The high selectivity and sensitivity of the LC-Q-TOF-MS/MS results combined with the knowledge of the fragmentation pathways can offer a new opportunity for rapid and accurate screening of corticosteroids, thus preventing health-related incidents involving adulterated products and clamping down on illegally circulated health products.

Simultaneous ionization and analysis of 84 anabolic androgenic steroids in human urine using liquid chromatography-silver ion coordination ionspray/triple-quadrupole mass spectrometry.

Science.gov (United States)

Kim, So-Hee; Cha, Eun-Ju; Lee, Kang Mi; Kim, Ho Jun; Kwon, Oh-Seung; Lee, Jaeick

2014-01-01

Metal ion coordination ionspray (M(+) CIS) ionization is a powerful technique to enhance ionization efficiency and sensitivity. In this study, we developed and validated an analytical method for simultaneous ionization and analysis of 84 anabolic androgenic steroids (65 exogenous and 19 endogenous) using liquid chromatography-silver ion coordination ionspray/triple-quadrupole mass spectrometry (LC-Ag(+) CIS/MS/MS). The concentrations of silver ions and organic solvents have been optimized to increase the amount of silver ion coordinated complexes. A combination of 25 μM of silver ions and methanol showed the best sensitivity. The validation results showed the intra- (0.8-9.2%) and inter-day (2.5-14.9%) precisions, limits of detection (0.0005-5.0 ng/mL), and matrix effect (71.8-100.3%) for the screening analysis. No significant ion suppression was observed. In addition, this method was successfully applied to analysis of positive samples from suspected abusers and useful for the detection of the trace levels of anabolic steroids in human urine samples. Copyright © 2014 John Wiley & Sons, Ltd.

Study on pulsed-operation of the drift tube quadrupole magnets

International Nuclear Information System (INIS)

Mutou, M.

1982-01-01

The heavy ion linac for NUMATRON project is designed not only as a injector for a synchrotron but also as a supplier of heavy ion beams for experiments with linac beam. In one repetition cycle of the synchrotron (1sec), the linac injects nearly 25 beam pulses with pulse width of 300 μsec and pulse interval of 30 msec. And the ion species can be varied every repetition. On the other hand, when it is off duty of injection to the synchrotron, the linac accelerates the beams that are directly used for the experiments. Also in this case, the ion species should be varied according to the requests of the experiments, for instance every 1 sec. Therefore, the quadrupole magnets installed in the drift tubes of the linac must be excited with pulse mode. The power supply of the quadrupole magnets will consists of two parts, namely pulse-excitation and dc-excitation power sources. The report describes the posibilities on the pulse-operation of the quadrupole magnets with the field gradient of asymptotically equals 10 KG/cm, and the analysis of the power supply of the quadrupole magnets. (author)

The Analysis of Quadrupole Magnetic Focusing Effect by Finite Element Method

International Nuclear Information System (INIS)

Utaja

2003-01-01

Quadrupole magnets will introduce focusing effect to a beam of the charge particle passing parallel to the magnet faces. The focusing effect is need to control the particle beam, so that it is in accordance with necessity requirement stated. This paper describes the analysis of focusing effect on the quadrupole magnetic by the finite element method. The finite element method in this paper is used for solve the potential distribution of magnetic field. If the potential magnetic field distribution in every node have known, a charge particle trajectory can be traced. This charge particle trajectory will secure the focusing effect of the quadrupole magnets. (author)

A qualitative study of amlodipine and its related compounds by electrospray ionization tandem mass spectrometry.

Science.gov (United States)

Gibbons, John; Pugh, Jonathan; Dimopoulos-Italiano, Gina; Pike, Richard

2006-01-01

A comprehensive structural analysis of amlodipine and certain related compounds was performed by electrospray ionization tandem mass spectrometry. Triple quadrupole and quadrupole time-of-flight instruments were used to provide collision-induced dissociation and accurate mass measurement for selected product and second-generation product ions. A unique ion rearrangement was observed, which was found to be characteristic of certain dihydropyridines. This study provides a fundamental understanding of the fragmentation of these compounds. The structural elucidation of an unknown impurity is presented as an example. Copyright (c) 2006 John Wiley & Sons, Ltd.

Rapid wide-scope screening of drugs of abuse, prescription drugs with potential for abuse and their metabolites in influent and effluent urban wastewater by ultrahigh pressure liquid chromatography-quadrupole-time-of-flight-mass spectrometry

International Nuclear Information System (INIS)

Hernandez, Felix; Bijlsma, Lubertus; Sancho, Juan V.; Diaz, Ramon; Ibanez, Maria

2011-01-01

This work illustrates the potential of hybrid quadrupole-time-of-flight mass spectrometry (QTOF MS) coupled to ultrahigh pressure liquid chromatography (UHPLC) to investigate the presence of drugs of abuse in wastewater. After solid-phase extraction with Oasis MCX cartridges, seventy-six illicit drugs, prescription drugs with potential for abuse, and metabolites were investigated in the samples by TOF MS using electrospray interface under positive ionization mode, with MS data acquired over an m/z range of 50-1000 Da. For 11 compounds, reference standards were available, and experimental data (e.g., retention time and fragmentation data) could be obtained, facilitating a more confident identification. The use of a QTOF instrument enabled the simultaneous application of two acquisition functions with different collision energies: a low energy (LE) function, where none or poor fragmentation took place, and a high energy (HE) function, where fragmentation in the collision cell was promoted. This approach, known as MS E , enabled the simultaneous acquisition of full-spectrum accurate mass data of both protonated molecules and fragment ions in a single injection, providing relevant information that facilitates the rapid detection and reliable identification of these emerging contaminants in the sample matrices analyzed. In addition, isomeric compounds, like the opiates, morphine and norcodeine, could be discriminated by their specific fragments observed in HE TOF MS spectra, without the need of reference standards. UHPLC-QTOF MS was proven to be a powerful and efficient technique for rapid wide-scope screening and identification of many relevant drugs in complex matrices, such as influent and effluent urban wastewater.

Rapid wide-scope screening of drugs of abuse, prescription drugs with potential for abuse and their metabolites in influent and effluent urban wastewater by ultrahigh pressure liquid chromatography-quadrupole-time-of-flight-mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Hernandez, Felix, E-mail: felix.hernandez@qfa.uji.es [Research Institute for Pesticides and Water, University Jaume I, Avda. Sos Baynat s/n, E-12071 Castellon (Spain); Bijlsma, Lubertus, E-mail: bijlsma@guest.uji.es [Research Institute for Pesticides and Water, University Jaume I, Avda. Sos Baynat s/n, E-12071 Castellon (Spain); Sancho, Juan V.; Diaz, Ramon; Ibanez, Maria [Research Institute for Pesticides and Water, University Jaume I, Avda. Sos Baynat s/n, E-12071 Castellon (Spain)

2011-01-17

This work illustrates the potential of hybrid quadrupole-time-of-flight mass spectrometry (QTOF MS) coupled to ultrahigh pressure liquid chromatography (UHPLC) to investigate the presence of drugs of abuse in wastewater. After solid-phase extraction with Oasis MCX cartridges, seventy-six illicit drugs, prescription drugs with potential for abuse, and metabolites were investigated in the samples by TOF MS using electrospray interface under positive ionization mode, with MS data acquired over an m/z range of 50-1000 Da. For 11 compounds, reference standards were available, and experimental data (e.g., retention time and fragmentation data) could be obtained, facilitating a more confident identification. The use of a QTOF instrument enabled the simultaneous application of two acquisition functions with different collision energies: a low energy (LE) function, where none or poor fragmentation took place, and a high energy (HE) function, where fragmentation in the collision cell was promoted. This approach, known as MS{sup E}, enabled the simultaneous acquisition of full-spectrum accurate mass data of both protonated molecules and fragment ions in a single injection, providing relevant information that facilitates the rapid detection and reliable identification of these emerging contaminants in the sample matrices analyzed. In addition, isomeric compounds, like the opiates, morphine and norcodeine, could be discriminated by their specific fragments observed in HE TOF MS spectra, without the need of reference standards. UHPLC-QTOF MS was proven to be a powerful and efficient technique for rapid wide-scope screening and identification of many relevant drugs in complex matrices, such as influent and effluent urban wastewater.

Structural elucidation of AgAsS2 glass by the analysis of clusters formed during laser desorption ionisation applying quadrupole ion trap time-of-flight mass spectrometry.

Science.gov (United States)

Mawale, Ravi Madhukar; Alberti, Milan; Zhang, Bo; Fraenkl, Max; Wagner, Tomas; Havel, Josef

2016-03-15

The structure of AgA(s)S2 glass, which has a broad range of applications, is still not well understood and a systematic mass spectrometric analysis of AgA(s)S2 glass is currently not available. Elucidation of the structure should help in the development of this material. The AgA(s)S2 glass was prepared by the melt-quenched technique. Laser desorption ionisation (LDI) using quadrupole ion trap time-of-flight mass spectrometry (QIT-TOFMS) was used to follow the generation of Ag(m)As(n)S(x) clusters. The stoichiometry of the clusters generated was determined via collision-induced dissociation (CID) and modelling of isotopic patterns. The AgA(s)S2 glass was characterised by transmission electron microscopy (TEM), scanning electron microscopy (SEM) and energy dispersive X-ray (EDX) spectroscopy. The LDI of AgA(s)S2 glass leads to the formation of unary (Ag+/− and As(3+)) species, 38 binary (As(n)S(x), Ag(m)S(x)), and 98 ternary (Ag(m)As(n)S(x)) singly charged clusters. The formation of silver-rich nano-grains during AgA(s)S2 glass synthesis has been identified using TEM analysis and also verified by QIT-TOFMS. TOFMS was shown to be a useful technique to study the generation of Ag(m)As(n)S(x )clusters. SEM, TEM and EDX analysis proved that the structure of AgA(s)S2 glass is ‘grain-like’ where grains are either: (1) Silver-rich ‘islands’ (Ag(m,) m up to 39) connected by arsenic and/or sulfur or arsenic sulfide chains or (2) silver sulfide (Ag2S)m (m = 9-20) clusters also similarly inter-connected. This obtained structural information may be useful for the development of ultra-high-density phase-change storage and memory devices using this kind of glass as a base.

Relaxation of quadrupole orientation in an optically pumped alkali vapour

Energy Technology Data Exchange (ETDEWEB)

Bernabeu, E; Tornos, J

1985-04-01

The relaxation of quadrupole orientation (alignment) in an optically pumped alkali vapour is theoretically studied by taking into account the relaxation processes by alkali-buffer gas, alkali-alkali with spin exchange and alkali-cell wall (diffusion process) collisions. The relaxation transients of the quadrupole orientation are obtained by introducing a first-order weak-pumping approximation (intermediate pumping) less restrictive than the usually considered (zeroth order) one.

Nuclear quadrupole interactions in ferroelectric compounds of HF/sup 181/

Energy Technology Data Exchange (ETDEWEB)

Kunzler, J V

1971-01-01

Measurements of nuclear quadrupole interaction constants in perovkite-type compounds of PbHfO/sub 3/, SnhfO/sub 3/, CaHfO/sub 3/ e SrHfO/sub 3/ have been performed using the perturbed angular correlation technique. A range of fundamental frequencies from 150 to 550 Megaradians per second was determined. The variation of quadrupole constants has been discussed through the molecular orbital theory.

Superconducting Quadrupole for the ISR High Luminosity insertion:end view

CERN Multimedia

1977-01-01

Connection end view of the prototype quadrupole before insertion of the inner vacuum chamber with inbedded 6-pole windings. The main components of the structure can be seen: (from inside outwards) the superconducting quadrupole coils surrounded by glass epoxy bandage rings and stainless steel spacers, the low-carbon steel yoke quadrants and the aluminium alloy shrinking rings. See also photos 7702690X, 7702307, 7702308, 7812604X.

A 3-axis force balanced accelerometer using a single proof-mass

Energy Technology Data Exchange (ETDEWEB)

Lemkin, M.A.; Boser, B.E.; Auslander, D. [Univ. of California, Berkeley, CA (United States); Smith, J. [Sandia National Lab., Albuquerque, NM (United States)

1997-04-01

This paper presents a new method for wideband force balancing a proof-mass in multiple axes simultaneously. Capacitive position sense and force feedback are accomplished using the same air-gap capacitors through time multiplexing. Proof of concept is experimentally demonstrated with a single-mass monolithic surface micromachined 3-axis accelerometer.

A Metabonomics Profiling Study on Phlegm Syndrome and Blood-Stasis Syndrome in Coronary Heart Disease Patients Using Liquid Chromatography/Quadrupole Time-of-Flight Mass Spectrometry

Directory of Open Access Journals (Sweden)

Linlin Zhao

2014-01-01

Full Text Available A metabonomics approach based on liquid chromatography/quadrupole time-of-flight mass spectrometry (LC-Q-TOF/MS was utilized to obtain potential biomarkers of coronary heart disease (CHD patients and investigate the ZHENG types differentiation in CHD patients. The plasma samples of 20 CHD patients with phlegm syndrome, 20 CHD patients with blood-stasis syndrome, and 16 healthy volunteers were collected in the study. 26 potential biomarkers were identified in the plasma of CHD patients and 19 differential metabolites contributed to the discrimination of phlegm syndrome and blood-stasis syndrome in CHD patients (VIP>1.5; P<0.05 which mainly involved purine metabolism, pyrimidine metabolism, amino acid metabolism, steroid biosynthesis, and arachidonic acid metabolism. This study demonstrated that metabonomics approach based on LC-MS was useful for studying pathologic changes of CHD patients and interpreting the differentiation of ZHENG types (phlegm and blood-stasis syndrome in traditional Chinese medicine (TCM.

Online extraction-high performance liquid chromatography-diode array detector-quadrupole time-of-flight tandem mass spectrometry for rapid flavonoid profiling of Fructus aurantii immaturus.

Science.gov (United States)

Tong, Runna; Peng, Mijun; Tong, Chaoying; Guo, Keke; Shi, Shuyun

2018-03-01

Chemical profiling of natural products by high performance liquid chromatography (HPLC) was critical for understanding of their clinical bioactivities, and sample pretreatment steps have been considered as a bottleneck for analysis. Currently, concerted efforts have been made to develop sample pretreatment methods with high efficiency, low solvent and time consumptions. Here, a simple and efficient online extraction (OLE) strategy coupled with HPLC-diode array detector-quadrupole time-of-flight tandem mass spectrometry (HPLC-DAD-QTOF-MS/MS) was developed for rapid chemical profiling. For OLE strategy, guard column inserted with ground sample (2 mg) instead of sample loop was connected with manual injection valve, in which components were directly extracted and transferred to HPLC-DAD-QTOF-MS/MS system only by mobile phase without any extra time, solvent, instrument and operation. By comparison with offline heat-reflux extraction for Fructus aurantii immaturus (Zhishi), OLE strategy presented higher extraction efficiency perhaps because of the high pressure and gradient elution mode. A total of eighteen flavonoids were detected according to their retention times, UV spectra, exact mass, and fragmentation ions in MS/MS spectra, and compound 9, natsudaidain-3-O-glucoside, was discovered in Zhishi for the first time. It is concluded that the developed OLE-HPLC-DAD-QTOF-MS/MS system offers new perspectives for rapid chemical profiling of natural products. Copyright © 2018. Published by Elsevier B.V.

A rapid and reliable method for Pb isotopic analysis of peat and lichens by laser ablation-quadrupole-inductively coupled plasma-mass spectrometry for biomonitoring and sample screening

International Nuclear Information System (INIS)

Kylander, M.E.; Weiss, D.J.; Jeffries, T.E.; Kober, B.; Dolgopolova, A.; Garcia-Sanchez, R.; Coles, B.J.

2007-01-01

An analytical protocol for rapid and reliable laser ablation-quadrupole (LA-Q)- and multi-collector (MC-) inductively coupled plasma-mass spectrometry (ICP-MS) analysis of Pb isotope ratios ( 207 Pb/ 206 Pb and 208 Pb/ 206 Pb) in peats and lichens is developed. This technique is applicable to source tracing atmospheric Pb deposition in biomonitoring studies and sample screening. Reference materials and environmental samples were dry ashed and pressed into pellets for introduction by laser ablation. No binder was used to reduce contamination. LA-MC-ICP-MS internal and external precisions were 207 Pb/ 206 Pb and 208 Pb/ 206 Pb ratios. LA-Q-ICP-MS internal precisions on 207 Pb/ 206 Pb and 208 Pb/ 206 Pb ratios were lower with values for the different sample sets 208 Pb by Q-ICP-MS are identified as sources of reduced analytical performance

Mass-spectrometric and optimal study of products from the laser ablated PbTe(Ga)

International Nuclear Information System (INIS)

Mikhajlov, V.A.; Putilin, F.N.; Trubnikov, D.N.

1994-01-01

The products of evaporation (p=10 -7 Torr) of a PbTe(Ga) target ablated by the Nd 3+ : YA laser (λ=1.08 μm, τ=15 ns, w=0.47-4.8 Jxcm -2 ) have been studied using quadrupole mass spectrometry and optical spectroscopy. The neutral Pb, Te, Ga, Te 2 , PbTe and the singly charged ions of Pb, Te, Ga have been detected by mass spectrometry. The lines of Pb 1 , Pb 2 , Te 2 and Ga 1 have been observed in the region of 340-760 nm of the emission spectra, the lines of Pb 3 and Te 3 were absent. The kinetic energy of the ions has been estimated using the ion optics system decelerated and focused ions with the selected energy

On type Ia supernovae and the formation of single low-mass white dwarfs

OpenAIRE

Justham, Stephen; Wolf, Christian; Podsiadlowski, Philipp; Han, Zhanwen

2008-01-01

There is still considerable debate over the progenitors of type Ia supernovae (SNe Ia). Likewise, it is not agreed how single white dwarfs with masses less than ~0.5 Msun can be formed in the field, even though they are known to exist. We consider whether single low-mass white dwarfs (LMWDs) could have been formed in binary systems where their companions have exploded as a SN Ia. In this model, the observed single LMWDs are the remnants of giant-branch donor stars whose envelopes have been st...

Compact high-field superconducting quadrupole magnet with holmium poles

Energy Technology Data Exchange (ETDEWEB)

Barlow, D.B.; Kraus, R.H. Jr.; Lobb, C.T.; Menzel, M.T. (Los Alamos National Lab., NM (United States)); Walstrom, P.L. (Grumman Space Systems, Los Alamos, NM (United States))

1992-03-15

A compact high-field superconducting quadrupole magnet was designed and built with poles made of the rare-earth metal holmium. The magnet is intended for use in superconducting coupled-cavity linear accelerators where compact high-field quadrupoles are needed, but where the use of permanent magnets is ruled out because of trapped-flux losses. The magnet has a clear bore diameter of 1.8 cm, outside diameter of 11 cm, length of 11 cm, and pole tip length of 6 cm. The effect of using holmium, a material with a higher saturation field than iron, was investigated by replacing poles made of iron with identical poles made of holmium. The magnet was operated at a temperature of 4.2 K and reached a peak quadrupole field gradient of 355 T/m, a 10% increase over the same magnet with iron poles. This increase in performance is consistent with calculations based on B-H curves that were measured for holmium at 4.2 K. (orig.).

Novel fluorinated surfactants tentatively identified in firefighters using liquid chromatography quadrupole time-of-flight tandem mass spectrometry and a case-control approach.

Science.gov (United States)

Rotander, Anna; Kärrman, Anna; Toms, Leisa-Maree L; Kay, Margaret; Mueller, Jochen F; Gómez Ramos, María José

2015-02-17

Fluorinated surfactant-based aqueous film-forming foams (AFFFs) are made up of per- and polyfluorinated alkyl substances (PFAS) and are used to extinguish fires involving highly flammable liquids. The use of perfluorooctanesulfonic acid (PFOS) and other perfluoroalkyl acids (PFAAs) in some AFFF formulations has been linked to substantial environmental contamination. Recent studies have identified a large number of novel and infrequently reported fluorinated surfactants in different AFFF formulations. In this study, a strategy based on a case-control approach using quadrupole time-of-flight tandem mass spectrometry (QTOF-MS/MS) and advanced statistical methods has been used to extract and identify known and unknown PFAS in human serum associated with AFFF-exposed firefighters. Two target sulfonic acids [PFOS and perfluorohexanesulfonic acid (PFHxS)], three non-target acids [perfluoropentanesulfonic acid (PFPeS), perfluoroheptanesulfonic acid (PFHpS), and perfluorononanesulfonic acid (PFNS)], and four unknown sulfonic acids (Cl-PFOS, ketone-PFOS, ether-PFHxS, and Cl-PFHxS) were exclusively or significantly more frequently detected at higher levels in firefighters compared to controls. The application of this strategy has allowed for identification of previously unreported fluorinated chemicals in a timely and cost-efficient way.

Low missing mass, single- and double diffraction dissociation at the LHC

CERN Document Server

Jenkovszky, Laszlo; Orava, Risto; Salii, Andrii

2014-01-01

Low missing mass, single- and double diffraction dissociation is calculated for the LHC energies from a dual-Regge model, dominated by a Pomeron Regge pole exchange. The model reproduces the rich resonance structure in the low missing mass Mx region. The diffractionly excited states lie on the nucleon trajectory, appended by the isolated Roper resonance. Detailed predictions for the squared momentum transfer and missing mass dependence of the differential and integrated single- and double diffraction dissociation in the kinematical range of present and future LHC measurements are given. The model predicts a possible turn-down of the cross section towards, t -> 0 in a region probably accessible in future experiments in the nearly forward direction. The present work is a continuation and extension (e.g. with double diffraction) of a previous work using the dual Regge approach.

Identification of non-volatile compounds and their migration from hot melt adhesives used in food packaging materials characterized by ultra-performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Vera, Paula; Canellas, Elena; Nerín, Cristina

2013-05-01

The identification of unknown non-volatile migrant compounds from adhesives used in food contact materials is a very challenging task because of the number of possible compounds involved, given that adhesives are complex mixtures of chemicals. The use of ultra-performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry (UPLC-MS/QTOF) is shown to be a successful tool for identifying non-targeted migrant compounds from two hot melt adhesives used in food packaging laminates. Out of the seven migrants identified and quantified, five were amides and one was a compound classified in Class II of the Cramer toxicity. None of the migration values exceeded the recommended Cramer exposure values.

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

Science.gov (United States)

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.

Recent Advances in Water Analysis with Gas Chromatograph Mass Spectrometers

Science.gov (United States)

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.

Optimization of an online heart-cutting multidimensional gas chromatography clean-up step for isotopic ratio mass spectrometry and simultaneous quadrupole mass spectrometry measurements of endogenous anabolic steroid in urine.

Science.gov (United States)

Casilli, Alessandro; Piper, Thomas; de Oliveira, Fábio Azamor; Padilha, Monica Costa; Pereira, Henrique Marcelo; Thevis, Mario; de Aquino Neto, Francisco Radler

2016-11-01

Measuring carbon isotope ratios (CIRs) of urinary analytes represents a cornerstone of doping control analysis and has been particularly optimized for the detection of the misuse of endogenous steroids. Isotope ratio mass spectrometry (IRMS) of appropriate quality, however, necessitates adequate purities of the investigated steroids, which requires extensive pre-analytical sample clean-up steps due to both the natural presence of the target analytes and the high complexity of the matrix. In order to accelerate the sample preparation and increase the automation of the process, the use of multidimensional gas chromatography (MDGC) prior to IRMS experiments, was investigated. A well-established instrumental configuration based on two independent GC ovens and one heart-cutting device was optimized. The first dimension (1D) separation was obtained by a non-polar column which assured high efficiency and good loading capacity, while the second dimension (2D), based on a mid-polar stationary phase, provided good selectivity. A flame ionization detector monitored the 1D, and the 2D was simultaneously recorded by isotope ratio and quadrupole mass spectrometry. The assembled MDGC set-up was applied for measuring testosterone, 5α- and 5β-androstanediol, androsterone, and etiocholanolone as target compounds and pregnanediol as endogenous reference compound. The urine sample were pretreated by conventional sample preparation steps comprising solid-phase extraction, hydrolysis, and liquid-liquid extraction. The extract obtained was acetylated and different aliquots were injected into the MDGC system. Two high performance liquid chromatography steps, conventionally adopted prior to CIR measurements, were replaced by the MDGC approach. The obtained values were consistent with the conventional ones. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Bilateral adrenal masses: a single-centre experience

Directory of Open Access Journals (Sweden)

Nilesh Lomte

2016-05-01

Full Text Available Background Bilateral adrenal masses may have aetiologies like hyperplasia and infiltrative lesions, besides tumours. Hyperplastic and infiltrative lesions may have coexisting hypocortisolism. Bilateral tumours are likely to have hereditary/syndromic associations. The data on clinical profile of bilateral adrenal masses are limited. Aims To analyse clinical, biochemical and radiological features, and management outcomes in patients with bilateral adrenal masses. Methods Retrospective analysis of 70 patients with bilateral adrenal masses presenting to a single tertiary care endocrine centre from western India (2002–2015. Results The most common aetiology was pheochromocytoma (40%, followed by tuberculosis (27.1%, primary adrenal lymphoma (PAL (10%, metastases (5.7%, non-functioning adenomas (4.3%, primary bilateral macronodular adrenal hyperplasia (4.3%, and others (8.6%. Age at presentation was less in patients with pheochromocytoma (33 years and tuberculosis (41 years compared with PAL (48 years and metastases (61 years (P<0.001. The presenting symptoms for pheochromocytoma were hyperadrenergic spells (54% and abdominal pain (29%, whereas tuberculosis presented with adrenal insufficiency (AI (95%. The presenting symptoms for PAL were AI (57% and abdominal pain (43%, whereas all cases of metastasis had abdominal pain. Mean size of adrenal masses was the largest in lymphoma (5.5cm followed by pheochromocytoma (4.8cm, metastasis (4cm and tuberculosis (2.1cm (P<0.001. Biochemically, most patients with pheochromocytoma (92.8% had catecholamine excess. Hypocortisolism was common in tuberculosis (100% and PAL (71.4% and absent with metastases (P<0.001. Conclusion In evaluation of bilateral adrenal masses, age at presentation, presenting symptoms, lesion size, and biochemical features are helpful in delineating varied underlying aetiologies.

Bilateral adrenal masses: a single-centre experience

Science.gov (United States)

Bandgar, Tushar; Khare, Shruti; Jadhav, Swati; Lila, Anurag; Goroshi, Manjunath; Kasaliwal, Rajeev; Khadilkar, Kranti; Shah, Nalini S

2016-01-01

Background Bilateral adrenal masses may have aetiologies like hyperplasia and infiltrative lesions, besides tumours. Hyperplastic and infiltrative lesions may have coexisting hypocortisolism. Bilateral tumours are likely to have hereditary/syndromic associations. The data on clinical profile of bilateral adrenal masses are limited. Aims To analyse clinical, biochemical and radiological features, and management outcomes in patients with bilateral adrenal masses. Methods Retrospective analysis of 70 patients with bilateral adrenal masses presenting to a single tertiary care endocrine centre from western India (2002–2015). Results The most common aetiology was pheochromocytoma (40%), followed by tuberculosis (27.1%), primary adrenal lymphoma (PAL) (10%), metastases (5.7%), non-functioning adenomas (4.3%), primary bilateral macronodular adrenal hyperplasia (4.3%), and others (8.6%). Age at presentation was less in patients with pheochromocytoma (33 years) and tuberculosis (41 years) compared with PAL (48 years) and metastases (61 years) (P<0.001). The presenting symptoms for pheochromocytoma were hyperadrenergic spells (54%) and abdominal pain (29%), whereas tuberculosis presented with adrenal insufficiency (AI) (95%). The presenting symptoms for PAL were AI (57%) and abdominal pain (43%), whereas all cases of metastasis had abdominal pain. Mean size of adrenal masses was the largest in lymphoma (5.5cm) followed by pheochromocytoma (4.8cm), metastasis (4cm) and tuberculosis (2.1cm) (P<0.001). Biochemically, most patients with pheochromocytoma (92.8%) had catecholamine excess. Hypocortisolism was common in tuberculosis (100%) and PAL (71.4%) and absent with metastases (P<0.001). Conclusion In evaluation of bilateral adrenal masses, age at presentation, presenting symptoms, lesion size, and biochemical features are helpful in delineating varied underlying aetiologies. PMID:27037294

[Simultaneous determination of ethyl carbamate and chloropropanols in flavorings by gas chromatography-triple quadrupole tandem mass spectrometry].

Science.gov (United States)

Xu, Xiaomin; He, Huali; Ruan, Yudi; Huang, Baifen; Zhang, Jingshun; Cai, Zengxuan; Ren, Yiping

2013-11-01

A simultaneous determination method for ethyl carbamate (EC) and chloropropanols (3-monochloropropane-1, 2-diol (3-MCPD) and 2-monochloropropane-1, 3-diol (2-MCPD)) in flavorings was developed by gas chromatography-triple quadrupole tandem mass spectrometry (GC-MS/MS). After spiked with internal standard, the sample was extracted by matrix solid-phase dispersion extraction technique with an Extrelut NT column. Hexane was used to wash the fat soluble matrix interferences and then an ethyl acetate-ethyl ether (20: 80, v/v) mixture was added to elute the analytes. The concentrated extract was detected by GC-MS/MS in multiple reaction monitoring (MRM) mode. The limits of detection (LODs) were 2, 5 and 5 microg/kg for EC, 3-MCPD and 2-MCPD, respectively. The linear ranges were 5 - 1 000 microg/kg (r = 0.9997), 10-1000 microg/kg (r = 0.999 1) and 10-1000 microg/kg (r = 0.999 5) for EC, 3-MCPD and 2-MCPD, respectively. In soy sauce, yellow rice wine, salami sauce and flavoring of instant noodle matrices, the recoveries (RSDs, n = 7) in MRM mode at the levels of 20, 100 and 400 microg/kg were 87.7%-104% (4.3%-10.7%), 90.1%-109% (2.6%-10.2%), and 90.9%-103% (3.0%-9.5%), respectively. EC, 3-MCPD and 2-MCPD were found in some real samples of the soy sauce, wine and flavoring of instant noodle. EC or 3-MCPD was found in some of the salami samples. The method is accurate, fast and suitable for the simultaneous determination of EC, 3-MCPD and 2-MCPD in flavorings.

Construction and Qualification of the Pre-Series MQM Superconducting Quadrupoles for the LHC Insertions

CERN Document Server

Ostojic, R; Lucas, J; Venturini-Delsolaro, W; Landgrebe, D

2004-01-01

The LHC insertions will be equipped with individually powered MQM superconducting quadrupoles, produced in three versions with magnetic lengths of 2.4 m, 3.4 m, and 4.8 m. The quadrupoles feature a 56 mm aperture coil, designed on the basis of an 8.8 mm wide Rutherford-type NbTi cable for a nominal gradient of 200 T/m at 1.9 K and 5390 A. A total of 96 quadrupoles are in production in Tesla Engineering, UK. In this report we describe the construction of the pre-series MQM quadrupoles and present the results of the qualification tests.

AA, wide quadrupole on measurement stand

CERN Multimedia

CERN PhotoLab

1981-01-01

Please look up 8101024 and 8103203 first. Wide quadrupole (QFW, QDW) with end-shims and shimming washers on the measurement stand. With the measurement coil one measured the harmonics of the magnetic field, determined the magnetic centre, and catalogued the effect of washer constellations.

Design, simulation and construction of quadrupole magnets for focusing electron beam in powerful industrial electron accelerator

Directory of Open Access Journals (Sweden)

S KH Mousavi

2015-09-01

Full Text Available In this paper the design and simulation of quadrupole magnets and electron beam optical of that by CST Studio code has been studied. Based on simulation result the magnetic quadrupole has been done for using in beam line of first Iranian powerful electron accelerator. For making the suitable magnetic field the effects of material and core geometry and coils current variation on quadrupole magnetic field have been studied. For test of quadrupole magnet the 10 MeV beam energy and 0.5 pi mm mrad emittance of input beam has been considered. We see the electron beam through the quadrupole magnet focus in one side and defocus in other side. The optimum of distance between two quadrupole magnets for low emittance have been achieved. The simulation results have good agreement with experimental results

Electron attachment mass spectrometry as a diagnostics for electronegative gases and plasmas

NARCIS (Netherlands)

Stoffels - Adamowicz, E.; Stoffels, W.W.; Tachibana, K.

1998-01-01

Electron attachment mass spectrometry (EAMS) has been developed to study mixtures of electronegative gases and plasmas. A quadrupole mass spectrometer (QMS) has been used to detect negative ions, formed from sampled species by attachment of low energy electrons. Varying the electron energy allows to

Observation of a phononic quadrupole topological insulator

Science.gov (United States)

Serra-Garcia, Marc; Peri, Valerio; Süsstrunk, Roman; Bilal, Osama R.; Larsen, Tom; Villanueva, Luis Guillermo; Huber, Sebastian D.

2018-03-01

The modern theory of charge polarization in solids is based on a generalization of Berry’s phase. The possibility of the quantization of this phase arising from parallel transport in momentum space is essential to our understanding of systems with topological band structures. Although based on the concept of charge polarization, this same theory can also be used to characterize the Bloch bands of neutral bosonic systems such as photonic or phononic crystals. The theory of this quantized polarization has recently been extended from the dipole moment to higher multipole moments. In particular, a two-dimensional quantized quadrupole insulator is predicted to have gapped yet topological one-dimensional edge modes, which stabilize zero-dimensional in-gap corner states. However, such a state of matter has not previously been observed experimentally. Here we report measurements of a phononic quadrupole topological insulator. We experimentally characterize the bulk, edge and corner physics of a mechanical metamaterial (a material with tailored mechanical properties) and find the predicted gapped edge and in-gap corner states. We corroborate our findings by comparing the mechanical properties of a topologically non-trivial system to samples in other phases that are predicted by the quadrupole theory. These topological corner states are an important stepping stone to the experimental realization of topologically protected wave guides in higher dimensions, and thereby open up a new path for the design of metamaterials.

The effect of quadrupole force to the spectra of nuclei in the f7/2 shell

International Nuclear Information System (INIS)

Zhang Qingying

1992-01-01

The effect of quadrupole force on the spectra of nuclei in the f 7/2 shell is tested. The nuclear spectra are calculated by using the surface delta interaction plus quadrupole interaction and the modified surface delta interaction respectively. The results calculated with the former are much better than those with the latter, the role of the isospin modified term in the modified surface delta interaction can be substituted by the quadrupole interaction term. It is also shown that the effect of quadrupole interaction in the f 7/2 shell is important although the quadrupole deformations of nuclei in this region are not large

Nuclear quadrupole relaxation and viscosity in liquid metals

International Nuclear Information System (INIS)

Schirmacher, W.

1976-01-01

It is shown that the nuclear quadrupole relaxation rate due to the molecular motions in liquid metals is related to the shear and bulk viscosity and hence to the absorption coefficient of ultrasound. Application of the 'extended liquid phonon' model of Ortoleva and Nelkin - which is the third of a series of continued-fraction-approximations for the van Hove neutron scattering function - gives a relation to the self diffusion constant. The predictions of the theory concerning the temperature dependence are compared with quadrupole relaxation measurements of Riegel et al. and Kerlin et al. in liquid gallium. Agreement is found only with the data of Riegel et al. (orig.) [de

Low-frequency quadrupole impedance of undulators and wigglers

Directory of Open Access Journals (Sweden)

A. Blednykh

2016-10-01

Full Text Available An analytical expression of the low-frequency quadrupole impedance for undulators and wigglers is derived and benchmarked against beam-based impedance measurements done at the 3 GeV NSLS-II storage ring. The adopted theoretical model, valid for an arbitrary number of electromagnetic layers with parallel geometry, allows to calculate the quadrupole impedance for arbitrary values of the magnetic permeability μ_{r}. In the comparison of the analytical results with the measurements for variable magnet gaps, two limit cases of the permeability have been studied: the case of perfect magnets (μ_{r}→∞, and the case in which the magnets are fully saturated (μ_{r}=1.

Metabolite characterization of a novel anti-cancer agent, icotinib, in humans through liquid chromatography/quadrupole time-of-flight tandem mass spectrometry.

Science.gov (United States)

Liu, Dongyang; Jiang, Ji; Zhang, Li; Tan, Fenlai; Wang, Yingxiang; Hu, Pei

2011-08-15

Icotinib is a novel anti-cancer drug that has shown promising clinical efficacy and safety in patients with non-small-cell lung cancer (NSCLC). At this time, the metabolic fate of icotinib in humans is unknown. In the present study, a liquid chromatography/quadrupole time-of-flight tandem mass spectrometry (LC/Q-TOF MS) method was established to characterize metabolites of icotinib in human plasma, urine and feces. In addition, nuclear magnetic resonance (NMR) detection was utilized to determine the connection between side-chain and quinazoline groups for some complex metabolites. In total, 29 human metabolites (21 isomer metabolites) were characterized, of which 23 metabolites are novel compared to the metabolites in rats. This metabolic study revealed that icotinib was extensively metabolized at the 12-crown-4 ether moiety (ring-opening and further oxidation), carbon 15 (hydroxylation) and an acetylene moiety (oxidation) to yield 19 oxidized metabolites and to further form 10 conjugates with sulfate acid or glucuronic acid. To our knowledge, this is the first report of the human metabolic profile of icotinib. Study results indicated that significant attention should be paid to the metabolic profiles of NSCLC patients during the development of icotinib. Copyright © 2011 John Wiley & Sons, Ltd.

Metabolomic study of corticosterone-induced cytotoxicity in PC12 cells by ultra performance liquid chromatography-quadrupole/time-of-flight mass spectrometry.

Science.gov (United States)

Zhang, Hongye; Zheng, Hua; Zhao, Gan; Tang, Chaoling; Lu, Shiyin; Cheng, Bang; Wu, Fang; Wei, Jinbin; Liang, Yonghong; Ruan, Junxiang; Song, Hui; Su, Zhiheng

2016-03-01

Glucocorticoids (GCs) have been proved to be an important pathogenic factor of some neuropsychiatric disorders. Usually, a classical injury model based on corticosterone-induced cytotoxicity of differentiated rat pheochromocytoma (PC12) cells was used to stimulate the state of GC damage of hippocampal neurons and investigate its potential mechanisms involved. However, up to now, the mechanism of corticosterone-induced cytotoxicity in PC12 cells was still looking forward to further elucidation. In this work, the metabolomic study of the biochemical changes caused by corticosterone-induced cytotoxicity in differentiated PC12 cells with different corticosterone concentrations was performed for the first time, using the ultra performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q/TOF MS). Partial least squares-discriminate analysis (PLS-DA) indicated that metabolic profiles of different corticosterone treatment groups deviated from the control group. A total of fifteen metabolites were characterized as potential biomarkers involved in corticosterone-induced cytotoxicity, which were corresponding to the dysfunctions of five pathways including glycerophospholipid metabolism, sphingolipid metabolism, oxidation of fatty acids, glycerolipid metabolism and sterol lipid metabolism. This study indicated that the rapid and holistic cell metabolomics approach might be a powerful tool to further study the pathogenesis mechanism of corticosterone-induced cytotoxicity in PC12 cells.

Radiation and penetration matrix elements for magnetic quadrupole transitions between Nilsson states in odd nuclei

International Nuclear Information System (INIS)

Feresin, A.P.; Guseva, I.S.

1984-01-01

Single-particle matrix elements for magnetic quadrupole gamma radiation in odd deformed nuclei, calculated with the aid of Nilsson-potential wave functions, are presented. Also given are the internal conversion penetration matrix elements, calculated in the same manner. The penetration matrix elements are needed to estimate the nuclear penetration parameter, which determines the deviation of experimental internal conversion coefficients from their standard values given in tables. Matrix elements are given for transitions between all pairs of Nilsson single-particle states with ΔN = 1 and ΔK = 0, 1, and 2 for the nuclear shells with 4< or =N< or =7 and for the two deformation values epsilon = 0.2 and 0.3

Identification of N-nitrosamines in treated drinking water using nanoelectrospray ionization high-field asymmetric waveform ion mobility spectrometry with quadrupole time-of-flight mass spectrometry.

Science.gov (United States)

Zhao, Yuan Yuan; Liu, Xin; Boyd, Jessica M; Qin, Feng; Li, Jianjun; Li, Xing-Fang

2009-01-01

We report a nanoelectrospray ionization (nESI) with high-field asymmetric waveform ion mobility spectrometry (FAIMS) and tandem mass spectrometry (MS-MS) method for determination of small molecules of m/z 50 to 200 and its potential application in environmental analysis. Integration of nESI with FAIMS and MS-MS combines the advantages of these three techniques into one method. The nESI provides efficient sample introduction and ionization and allows for collection of multiple data from only microliters of samples. The FAIMS provides rapid separation, reduces or eliminates background interference, and improves the signal-to-noise ratio as much as 10-fold over nESI-MS-MS. The tandem quadrupole time-of-flight MS detection provides accurate mass and mass spectral measurements for structural identification. Characteristics of FAIMS compensation voltage (CV) spectra of seven nitrosamines, N-nitrosodimethylamine (NDMA), N-nitrosomethylethylamine (NMEA), N-nitrosodiethylamine (NDEA), N-nitrosodi-n-propylamine (NDPA), N-nitrosodi-n-butylamine (NDBA), N-nitrosopiperidine (NPip), and N-nitrosopyrrolidine (NPyr), were analyzed. The optimal CV of the nitrosamines (at DV -4000 V) were: -1.6 V, NDBA; 2.6 V, NDPA; 6.6 V, NPip; 8.8 V, NDEA; 13.2 V, NPyr; 14.4 V, NMEA; and 19.4 V, NDMA. Fragmentation patterns of the seven nitrosamines in the nESI-FAIMS-MS-MS were also obtained. The specific CV and MS-MS spectra resulted in positive identification of NPyr and NPip in a treated water sample, demonstrating the potential application of this technique in environmental analysis.

Ellipsoidal universe can solve the cosmic microwave background quadrupole problem.

Science.gov (United States)

Campanelli, L; Cea, P; Tedesco, L

2006-09-29

The recent 3 yr Wilkinson Microwave Anisotropy Probe data have confirmed the anomaly concerning the low quadrupole amplitude compared to the best-fit Lambda-cold dark matter prediction. We show that by allowing the large-scale spatial geometry of our universe to be plane symmetric with eccentricity at decoupling or order 10(-2), the quadrupole amplitude can be drastically reduced without affecting higher multipoles of the angular power spectrum of the temperature anisotropy.

Deformation and shape coexistence in medium mass nuclei

International Nuclear Information System (INIS)

Meyer, R.A.

1985-01-01

Emerging evidence for deformed structures in medium mass nuclei is reviewed. Included in this review are both nuclei that are ground state symmetric rotors and vibrational nuclei where there are deformed structures at excited energies (shape coexistence). For the first time, Nilsson configurations in odd-odd nuclei within the region of deformation are identified. Shape coexistence in nuclei that abut the medium mass region of deformation is also examined. Recent establishment of a four-particle, four-hole intruder band in the double subshell closure nucleus 96 Zr 56 is presented and its relation to the nuclear vibron model is discussed. Special attention is given to the N=59 nuclei where new data have led to the reanalysis of 97 Sr and 99 Zr and the presence of the [404 9/2] hole intruder state as isomers in these nuclei. The low energy levels of the N=59 nuclei from Z=38 to 50 are compared with recent quadrupole-phonon model calculations that can describe their transition from near-rotational to single closed shell nuclei. The odd-odd N=59 nuclei are discussed in the context of coexisting shape isomers based on the (p[303 5/2]n[404 9/2])2 - configuration. Ongoing in-beam (t,p conversion-electron) multiparameter measurements that have led to the determination of monopole matrix elements for even-even 42 Mo nuclei are presented, and these are compared with initial estimates using IBA-2 calculations that allow mixing of normal and cross subshell excitations. Lastly, evidence for the neutron-proton 3 S 1 force's influence on the level structure of these nuclei is discussed within the context of recent quadrupole-phonon model calculations. (Auth.)

Innovative analytical method for the determination of underivatized tributyltin and pentachlorophenol in seawater by gas chromatography-triple quadrupole mass spectrometry.

Science.gov (United States)

Amendola, Luca; Cortese, Maria; Vinatoru, Daniela; Sposato, Silvana; Insogna, Susanna

2017-07-04

Tributyltin (TBT) and pentachlorophenol (PCP) are listed as priority substances that warrant monitoring in the European Water Framework Directive (WFD 2000/60/CE), since TBT and PCP were identified as environmental endocrine disruptors and exhibit considerable toxicity toward both aquatic organisms and mammals even at very low levels. This paper shows a novel approach to analyze underivatized tributyltin (TBT) and pentachlorophenol (PCP) in seawater based on capillary gas chromatography-triple quadrupole mass spectrometry. The optimized extraction method for TBT an PCP in water involved liquid-liquid microextraction with toluene. The reduced extract was added with a solvent mix, composed of methanol and trimethylsilyl derivatives of methanol (MeOTMS), that allowed good chromatographic resolution of underivatized TBT and PCP, interacting as a lubricant along the glass liner during the injection phase. The proposed method showed good linearity and repeatability (RSD%<20% at 0.05 ng L -1 for TBT and 0.2 μg L -1 for PCP). The overall recoveries were 74% and 106% for TBT and PCP, respectively. Very low quantification limits that met the strict statutory and regulatory demands were achieved: 0.002 ng L -1 for TBT and 0.050 μg L -1 for PCP. Copyright © 2017 Elsevier B.V. All rights reserved.

Design of the CLIC Quadrupole Vacuum Chambers

CERN Document Server

Garion, C

2010-01-01

The Compact Linear Collider, under study, requires vacuum chambers with a very small aperture, of the order of 8 mm in diameter, and with a length up to around 2 m for the main beam quadrupoles. To keep the very tight geometrical tolerances on the quadrupoles, no bake out is allowed. The main issue is to reach UHV conditions (typically 10-9 mbar static pressure) in a system where the vacuum performance is driven by water outgassing. For this application, a thinwalled stainless steel vacuum chamber with two ante chambers equipped with NEG strips, is proposed. The mechanical design, especially the stability analysis, is shown. The key technologies of the prototype fabrication are given. Vacuum tests are carried out on the prototypes. The test set-up as well as the pumping system conditions are presented.

Probing the Electronic Environment of Methylindoles using Internal Rotation and (14)N Nuclear Quadrupole Coupling.

Science.gov (United States)

Gurusinghe, Ranil M; Tubergen, Michael J

2016-05-26

High-resolution rotational spectra were recorded in the 10.5-21.0 GHz frequency range for seven singly methylated indoles. (14)N nuclear quadrupole hyperfine structure and spectral splittings arising from tunneling along the internal rotation of the methyl group were resolved for all indole species. The nuclear quadrupole coupling constants were used to characterize the electronic environment of the nitrogen atom, and the program XIAM was used to fit the barrier to internal rotation to the measured transition frequencies. The best fit barriers were found to be 277.1(2), 374.32(4), 414.(5), 331.6(2), 126.8675(15), 121.413(4), and 426(3) cm(-1) for 1-methylindole through 7-methylindole, respectively. The fitted barriers were found to be in good agreement with barriers calculated at the ωB97XD/6-311++G(d,p) level. The complete set of experimental barriers is compared to theoretical investigations of the origins of methyl torsional barriers and confirms that the magnitude of these barriers is an overall effect of individual hyperconjugative and structural interactions of many bonding/antibonding orbitals.

Development of a simple and rapid solid phase microextraction-gas chromatography-triple quadrupole mass spectrometry method for the analysis of dopamine, serotonin and norepinephrine in human urine.

Science.gov (United States)

Naccarato, Attilio; Gionfriddo, Emanuela; Sindona, Giovanni; Tagarelli, Antonio

2014-01-31

The work aims at developing a simple and rapid method for the quantification of dopamine (DA), serotonin (5-HT) and norepinephrine (NE) in human urine. The urinary levels of these biogenic amines can be correlated with several pathological conditions concerning heart disease, stress, neurological disorders and cancerous tumors. The proposed analytical approach is based on the use of solid phase microextraction (SPME) combined with gas chromatography-triple quadrupole mass spectrometry (GC-QqQ-MS) after a fast derivatization of both aliphatic amino and phenolic moieties by propyl chloroformate. The variables influencing the derivatization reaction were reliably optimized by the multivariate approach of "Experimental design". The optimal conditions were obtained by performing derivatization with 100μL of propyl chloroformate and 100μL of pyridine. The extraction ability of five commercially available SPME fibers was evaluated in univariate mode and the best results were obtained using the polyacrylate fiber. The variables affecting the efficiency of SPME analysis were again optimized by the multivariate approach of "Experimental design" and, in particular, a central composite design (CCD) was applied. The optimal values were extraction in 45min at room temperature, desorption temperature at 300°C, no addition of NaCl. Assay of derivatized analytes was performed by using a gas chromatography-triple quadrupole mass spectrometry (GC-QqQ-MS) system in selected reaction monitoring (SRM) acquisition. An evaluation of all analytical parameters demonstrates that the developed method provides satisfactory results. Indeed, very good linearities were achieved in the tested calibration range with correlation coefficient values of 0.9995, 0.9999 and 0.9997 for DA, 5-HT and NE, respectively. Accuracies and RSDs calculated for between-run and tested at concentrations of 30, 200, and 800μg L(-1) were in the range from 92.8% to 103.0%, and from 0.67 to 4.5%, respectively. Finally

Magnetic field in the end region of the SSC quadrupole magnet

International Nuclear Information System (INIS)

Caspi, S.; Helm, M.; Laslett, L.J.

1991-06-01

Recent advances in methods of computing magnetic fields have made it possible to study the field in the end region of the SS quadrupole magnet in detail. The placement of conductor in the straight section, away from the ends, was designed to produce a practically pure quadrupole field in the two-dimensional sense. The ends of the coils were designed to produce a practically pure quadrupole field in the integral sense using a method that ignores the presence of the iron yoke. Subsequently, the effect of presence of the yoke on the field was analyzed. The paper presents the end configuration together with the computed integrated multipole components, local multipole components, and local field components. A comparison with measurements is included. 5 refs., 5 figs., 1 tab

Trapping of Electron Cloud LLC/Cesrta Quadrupole and Sextupole Magnets

International Nuclear Information System (INIS)

Wang, L.

2011-01-01

The Cornell Electron Storage Ring (CESR) has been reconfigured as an ultra low emittance damping ring for use as a test accelerator (CesrTA) for International Linear Collider (ILC) damping ring R and D (1). One of the primary goals of the CesrTA program is to investigate the interaction of the electron cloud with low emittance positron beam to explore methods to suppress the electron cloud, develop suitable advanced instrumentation required for these experimental studies and benchmark predictions by simulation codes. This paper reports the simulation of the electron-cloud formation in CESRTA and ILC quadrupole and sextupole magnets using the 3D code CLOUDLAND. We found that electrons can be trapped with a long lifetime in a quadrupole and sextupole magnet due to the mirror field trapping mechanism. We study the effects of magnet strength, bunch current, ante-chamber effect, bunch spacing effect and secondary emission yield (SEY) in great detail. The development of an electron cloud in magnets is the main concern where a weak solenoid field is not effective. Quadrupole and sextupole magnets have mirror field configurations which may trap electrons by the mirror field trapping mechanism (2). Fig.1 shows the orbit of a trapped electron in a quadrupole magnet. The electron makes gyration motion (called transverse motion) and also moves along the field line (called longitudinal motion). At the mirror point (middle of the field line), there is a maximum longitudinal energy and minimum transverse energy. When the electron moves away from the mirror point, its longitudinal energy reduces and the transverse energy increases as the magnetic field increases. If the magnetic field is strong enough, the longitudinal energy becomes zero at one point and then the electron is turned back by the strong field. Note that the electrons are trapped in the region near the middle of the field lines. Although all quadrupole and sextupole magnets can trap electrons in principle, the

Collision-induced dissociation with Fourier transform mass spectrometry

International Nuclear Information System (INIS)

Cody, R.B.; Burnier, R.C.; Freiser, B.S.

1982-01-01