Direct trace analysis of metals and alloys in a quadrupole ion-trap mass spectrometer

CERN Document Server

Song, K S; Yang, M; Cha, H K; Lee, J M; Lee, G H

1999-01-01

An ion-trap mass spectrometer adopting a quadrupole ion-trap and laser ablation/ionization method was constructed. The developed system was tested for composition analysis of some metals (Cu, stainless), and alloys (hastalloy C, mumetal) by mass spectrometry. Samples were analyzed by using laser ablation from a sample probe tip followed by a mass analysis with the quadrupole ion-trap. The quadrupole ion-trap was modified to enable laser ablation by a XeCl excimer laser pulse that passed radially through the ring electrode. A mass scan of the produced ions was performed in the mass selective instability mode wherein trapped ions were successively detected by increasing the rf voltage through the ring electrode. Factors affecting the mass resolution, such as pressure of buffer gas and ablation laser power, are discussed.

[Screening and confirmation of 24 hormones in cosmetics by ultra high performance liquid chromatography-linear ion trap/orbitrap high resolution mass spectrometry].

Science.gov (United States)

Li, Zhaoyong; Wang, Fengmei; Niu, Zengyuan; Luo, Xin; Zhang, Gang; Chen, Junhui

2014-05-01

A method of ultra high performance liquid chromatography-linear ion trap/orbitrap high resolution mass spectrometry (UPLC-LTQ/Orbitrap MS) was established to screen and confirm 24 hormones in cosmetics. Various cosmetic samples were extracted with methanol. The extract was loaded onto a Waters ACQUITY UPLC BEH C18 column (50 mm x 2.1 mm, 1.7 microm) using a gradient elution of acetonitrile/water containing 0.1% (v/v) formic acid for the separation. The accurate mass of quasi-molecular ion was acquired by full scanning of electrostatic field orbitrap. The rapid screening was carried out by the accurate mass of quasi-molecular ion. The confirmation analysis for targeted compounds was performed with the retention time and qualitative fragments obtained by data dependent scan mode. Under the optimal conditions, the 24 hormones were routinely detected with mass accuracy error below 3 x 10(-6) (3 ppm), and good linearities were obtained in their respective linear ranges with correlation coefficients higher than 0.99. The LODs (S/N = 3) of the 24 compounds were hormones in 50 cosmetic samples. The results demonstrate that the method is a useful tool for the rapid screening and identification of the hormones in cosmetics.

Application of Liquid Chromatography/Ion Trap Mass Spectrometry Technique to Determine Ergot Alkaloids in Grain Products.

Science.gov (United States)

Bryła, Marcin; Szymczyk, Krystyna; Jędrzejczak, Renata; Roszko, Marek

2015-03-01

A liquid chromatography/ion trap mass spectrometry-based method to determine six ergot alkaloids and their isomers is presented. The samples were cleaned on neutral alumina-based solid-phase extraction cartridges. The following method parameters were obtained (depending on the analyte and spiking level): method recovery from 63.0 to 104.6%, relative standard deviation below 18%, linear range from 1 to 325 µg/kg, linear correlation coefficient not less than 0.98. The developed analytical procedure was applied to determine the levels of ergot alkaloids in 65 samples of selected rye-based food products (flour - 34 samples, bran - 12 samples, rye - 18 samples, flakes - 1 sample). Measurable levels of alkaloids were found in majority of the analysed samples, particularly in rye flour. Additionally, alkaloids were determined in ergot sclerotia isolated from rye grains. Total content was nearly 0.01% (97.9 mg/kg). However, the alkaloid profile was dominated by ergocristine at 45.6% (44.7 mg/kg), an alkaloid not commonly found in the tested food products. Ergocorninine at 0.2% (0.2 mg/kg) was the least abundant alkaloid.

Practical aspects of trapped ion mass spectrometry, 4 theory and instrumentation

CERN Document Server

March, Raymond E

2010-01-01

The expansion of the use of ion trapping in different areas of mass spectrometry and different areas of application indicates the value of a single source of information drawing together diverse inputs. This book provides an account of the theory and instrumentation of mass spectrometric applications and an introduction to ion trapping devices.

A selective and sensitive method for quantitation of lysergic acid diethylamide (LSD) in whole blood by gas chromatography-ion trap tandem mass spectrometry.

Science.gov (United States)

Libong, Danielle; Bouchonnet, Stéphane; Ricordel, Ivan

2003-01-01

A gas chromatography-ion trap tandem mass spectrometry (GC-ion trap MS-MS) method for detection and quantitation of LSD in whole blood is presented. The sample preparation process, including a solid-phase extraction step with Bond Elut cartridges, was performed with 2 mL of whole blood. Eight microliters of the purified extract was injected with a cold on-column injection method. Positive chemical ionization was performed using acetonitrile as reagent gas; LSD was detected in the MS-MS mode. The chromatograms obtained from blood extracts showed the great selectivity of the method. GC-MS quantitation was performed using lysergic acid methylpropylamide as the internal standard. The response of the MS was linear for concentrations ranging from 0.02 ng/mL (detection threshold) to 10.0 ng/mL. Several parameters such as the choice of the capillary column, the choice of the internal standard and that of the ionization mode (positive CI vs. EI) were rationalized. Decomposition pathways under both ionization modes were studied. Within-day and between-day stability were evaluated.

Application of a trap-free two-dimensional liquid chromatography combined with ion trap/time-of-flight mass spectrometry for separation and characterization of impurities and isomers in cefpiramide.

Science.gov (United States)

Wang, Jian; Xu, Yu; Wen, Chunmei; Wang, Zhijian

2017-11-01

High-resolution mass spectrometry had been routinely used for structure identification of impurity. However, all LC-MS methods were based on a volatile mobile phase, and a non-volatile system is used in the official analytical method of United States Pharmacopoeia for cefpiramide which limited the use of mass spectrometry for structure characterization of the impurities. Here we presented the utilization of a trap-free two-dimensional liquid chromatography coupled to high resolution ion trap/time-of-flight mass spectrometry (2D LC-IT-TOF MS) with positive and negative modes of electrospray ionization for characterization of eight impurities in cefpiramide. Trap-free two-dimensional liquid chromatography and online desalting technique made it possible to characterize the impurity in cefpiramide in the condition of official standard, and the TIC chromatogram of LC-MS was in conformity with the LC chromatogram of the official analytical method in the peak sequence of impurities, which could further improve the method of official monographs in pharmacopoeias. Each peak separated by the non-volatile mobile phase was trapped by a 20 μL quantitative loop then transferred into a system with a volatile mobile phase connected to a MS detector. In the first dimension, the column was Kromasil C 8 analytical column (250 mm × 4.6 mm, 5 μm) with a non-volatile salt mobile phase at the flow rate of 0.8 mL min -1 . In the second dimension, the column was Shimadzu Shim-pack GISS C 18 (50 mm × 2.1 mm, 1.9 μm) with a volatile salt mobile phase at the flow rate of 0.3 mL min -1 . Through the multiple heart-cutting 2D-LC approach and online desalting technique, the problem of incompatibility between non-volatile salt mobile phase and mass spectrometry was solved completely. The fragmentation behavior of cefpiramide and its eight impurities were studied. The structures of eight impurities in cefpiramide drug substance were deduced based on the HPLC-MS n data, in

Application of Liquid Chromatography/Ion Trap Mass Spectrometry Technique to Determine Ergot Alkaloids in Grain Products

Directory of Open Access Journals (Sweden)

Krystyna Szymczyk

2015-01-01

Full Text Available A liquid chromatography/ion trap mass spectrometry-based method to determine six ergot alkaloids and their isomers is presented. The samples were cleaned on neutral alumina-based solid-phase extraction cartridges. The following method parameters were obtained (depending on the analyte and spiking level: method recovery from 63.0 to 104.6 %, relative standard deviation below 18 %, linear range from 1 to 325 μg/kg, linear correlation coefficient not less than 0.98. The developed analytical procedure was applied to determine the levels of ergot alkaloids in 65 samples of selected rye-based food products (flour– 34 samples, bran – 12 samples, rye – 18 samples, flakes – 1 sample. Measurable levels of alkaloids were found in majority of the analysed samples, particularly in rye flour. Additionally, alkaloids were determined in ergot sclerotia isolated from rye grains. Total content was nearly 0.01 % (97.9 mg/kg. However, the alkaloid profi le was dominated by ergocristine at 45.6 % (44.7 mg/kg, an alkaloid not commonly found in the tested food products. Ergocorninine at 0.2 % (0.2 mg/kg was the least abundant alkaloid.

Application of high-performance liquid chromatography-tandem mass spectrometry with a quadrupole/linear ion trap instrument for the analysis of pesticide residues in olive oil.

Science.gov (United States)

Hernando, M D; Ferrer, C; Ulaszewska, M; García-Reyes, J F; Molina-Díaz, A; Fernández-Alba, A R

2007-11-01

This article describes the development of an enhanced liquid chromatography-mass spectrometry (LC-MS) method for the analysis of pesticides in olive oil. One hundred pesticides belonging to different classes and that are currently used in agriculture have been included in this method. The LC-MS method was developed using a hybrid quadrupole/linear ion trap (QqQ(LIT)) analyzer. Key features of this technique are the rapid scan acquisition times, high specificity and high sensitivity it enables when the multiple reaction monitoring (MRM) mode or the linear ion-trap operational mode is employed. The application of 5 ms dwell times using a linearly accelerating (LINAC) high-pressure collision cell enabled the analysis of a high number of pesticides, with enough data points acquired for optimal peak definition in MRM operation mode and for satisfactory quantitative determinations to be made. The method quantifies over a linear dynamic range of LOQs (0.03-10 microg kg(-1)) up to 500 microg kg(-1). Matrix effects were evaluated by comparing the slopes of matrix-matched and solvent-based calibration curves. Weak suppression or enhancement of signals was observed (ion (EPI) and MS3 were developed.

[Determination of 21 fragrance allergens in toys by gas chromatography-ion trap mass spectrometry].

Science.gov (United States)

Lü, Qing; Zang, Qing; Bai, Hua; Li, Haiyu; Kang, Suyuan; Wang, Chao

2012-05-01

A method of gas chromatography-ion trap mass spectrometry (GC-IT-MS) was developed for the determination of 21 fragrance allergens in sticker toys, plush toys and plastic toys. The experimental conditions, such as sample pretreatment conditions, and the analytical conditions of GC-IT-MS, were optimized. The sticker toy samples and plush toy samples were extracted with acetone by ultrasonic wave, and the extracts were separated on an Agilent HP-1 MS column (50 m x 0.2 mm x 0.5 microm), then determined by IT-MS and quantified by external standard method. The plastic toy samples were extracted by the dissolution-precipitation approach, cleaned up with an Envi-carb solid phase extraction column and concentrated by rotary evaporation and nitrogen blowing, then determined by GC-IT-MS and quantified by external standard method. The calibration curves showed good linearity in the range of 0.002-50 mg/L with the correlation coefficients greater than 0.996 8. The limits of quantification (LOQ, S/N > 10) were 0.02-40 mg/kg. The average recoveries of the target compounds spiked in the sample at three concentration levels were in the range of 82.2%-110.8% with the relative standard deviations (RSDs) of 0.6%-10.5%. These results show that this method is accurate and sensitive for the qualitative and quantitative determination of the 21 fragrance allergens in the 3 types of toys.

A novel ion cooling trap for multi-reflection time-of-flight mass spectrograph

Energy Technology Data Exchange (ETDEWEB)

Ito, Y., E-mail: yito@riken.jp [SLOWRI Team, Nishina Accelerator-Based Research Center, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577 (Japan); Schury, P. [SLOWRI Team, Nishina Accelerator-Based Research Center, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577 (Japan); New Mexico State University, Department Chemistry and Biochemistry, Las Cruces, NM 88003 (United States); Wada, M.; Naimi, S. [SLOWRI Team, Nishina Accelerator-Based Research Center, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Smorra, C. [SLOWRI Team, Nishina Accelerator-Based Research Center, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Max-Planck-Institut für Kernphysik, Saupfercheckweg 1, D-69117 Heidelberg (Germany); Sonoda, T. [SLOWRI Team, Nishina Accelerator-Based Research Center, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Mita, H. [SLOWRI Team, Nishina Accelerator-Based Research Center, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577 (Japan); Takamine, A. [SLOWRI Team, Nishina Accelerator-Based Research Center, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Aoyama Gakuin University, 4-4-25 Shibuya, Shibuya-ku, Tokyo 150-8366 (Japan); Okada, K. [SLOWRI Team, Nishina Accelerator-Based Research Center, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Sophia University, 7-1 Kioi-cho, Chiyoda-ku, Tokyo 102-8554 (Japan); Ozawa, A. [University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577 (Japan); Wollnik, H. [SLOWRI Team, Nishina Accelerator-Based Research Center, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); New Mexico State University, Department Chemistry and Biochemistry, Las Cruces, NM 88003 (United States)

2013-12-15

Highlights: • Fast cooling time: 2 ms. • High efficiency: ≈27% for {sup 23}Na{sup +} and ≈5.1% for {sup 7}Li{sup +}. • 100% Duty cycle with double trap system. -- Abstract: A radiofrequency quadrupole ion trap system for use with a multi-reflection time-of-flight mass spectrograph (MRTOF) for short-lived nuclei has been developed. The trap system consists of two different parts, an asymmetric taper trap and a flat trap. The ions are cooled to a sufficient small bunch for precise mass measurement with MRTOF in only 2 ms cooling time in the flat trap, then orthogonally ejected to the MRTOF for mass analysis. A trapping efficiency of ≈27% for {sup 23}Na{sup +} and ≈5.1% for {sup 7}Li{sup +} has been achieved.

An Automated High Performance Capillary Liquid Chromatography Fourier Transform Ion Cyclotron Resonance Mass Spectrometer for High-Throughput Proteomics

International Nuclear Information System (INIS)

Belov, Mikhail E.; Anderson, Gordon A.; Wingerd, Mark A.; Udseth, Harold R.; Tang, Keqi; Prior, David C.; Swanson, Kenneth R.; Buschbach, Michael A.; Strittmatter, Eric F.; Moore, Ronald J.; Smith, Richard D.

2004-01-01

We report on a fully automated 9.4 tesla Fourier transform ion resonance cyclotron (FTICR) mass spectrometer coupled to reverse-phase chromatography for high-throughput proteomic studies. Modifications made to the front-end of a commercial FTICR instrument--a dual-ESI-emitter ion source; dual-channel electrodynamic ion funnel; and collisional-cooling, selection and accumulation quadrupoles--significantly improved the sensitivity, dynamic range and mass measurement accuracy of the mass spectrometer. A high-pressure capillary liquid chromatography (LC) system was incorporated with an autosampler that enabled 24 h/day operation. A novel method for accumulating ions in the ICR cell was also developed. Unattended operation of the instrument revealed the exceptional reproducibility (1-5% deviation in elution times for peptides from a bacterial proteome), repeatability (10-20% deviation in detected abundances for peptides from the same aliquot analyzed a few weeks apart) and robustness (high-throughput operation for 5 months without downtime) of the LC/FTICR system. When combined with modulated-ion-energy gated trapping, the internal calibration of FTICR mass spectra decreased dispersion of mass measurement errors for peptide identifications in conjunction with high resolution capillary LC separations to < 5 ppm over a dynamic range for each spectrum of 10 3

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

Science.gov (United States)

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

2015-01-01

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

Quantification of Lansoprazole in Oral Suspension by Ultra-High-Performance Liquid Chromatography Hybrid Ion-Trap Time-of-Flight Mass Spectrometry

Directory of Open Access Journals (Sweden)

Stacy D. Brown

2011-01-01

Full Text Available An LC-MS/MS method was developed and validated to be used as a stability indicating assay for the study of a 3 mg/mL lansoprazole oral suspension. The method utilizes a UPLC (ultra-performance liquid chromatography column and unique mass spectrometric detection (ion-trap time-of-flight (IT-TOF to achieve a sensitive (LOD 2 ng/mL, accurate, and reproducible quantification of lansoprazole. This method reports an intraday and interday coefficient of variation of 2.98 ± 2.17% (n=5 for each concentration for each day and 3.07 ± 0.89% (n=20 for each concentration, respectively. Calibration curves (5–25 μg/mL were found to be linear with an R2 value ranging from 0.9972 to 0.9991 on 4 different days. Accuracy of the assay, expressed as % error, ranged from 0.30 to 5.22%. This method is useful for monitoring the stability of lansoprazole in oral suspension.

An integrated ion trap and time-of-flight mass spectrometer for chemical and photo- reaction dynamics studies

International Nuclear Information System (INIS)

Schowalter, Steven J.; Chen Kuang; Rellergert, Wade G.; Sullivan, Scott T.; Hudson, Eric R.

2012-01-01

We demonstrate the integration of a linear quadrupole trap with a simple time-of-flight mass spectrometer with medium-mass resolution (m/Δm∼ 50) geared towards the demands of atomic, molecular, and chemical physics experiments. By utilizing a novel radial ion extraction scheme from the linear quadrupole trap into the mass analyzer, a device with large trap capacity and high optical access is realized without sacrificing mass resolution. This provides the ability to address trapped ions with laser light and facilitates interactions with neutral background gases prior to analyzing the trapped ions. Here, we describe the construction and implementation of the device as well as present representative ToF spectra. We conclude by demonstrating the flexibility of the device with proof-of-principle experiments that include the observation of molecular-ion photodissociation and the measurement of trapped-ion chemical reaction rates.

Performance of the linear ion trap Orbitrap mass analyzer for qualitative and quantitative analysis of drugs of abuse and relevant metabolites in sewage water

NARCIS (Netherlands)

Bijlsma, L.; Emke, E.; Hernández, F.; de Voogt, P.

2013-01-01

This work illustrates the potential of liquid chromatography coupled to a hybrid linear ion trap Fourier Transform Orbitrap mass spectrometer for the simultaneous identification and quantification of 24 drugs of abuse and relevant metabolites in sewage water. The developed methodology consisted of

An integrated ion trap and time-of-flight mass spectrometer for chemical and photo- reaction dynamics studies.

Science.gov (United States)

Schowalter, Steven J; Chen, Kuang; Rellergert, Wade G; Sullivan, Scott T; Hudson, Eric R

2012-04-01

We demonstrate the integration of a linear quadrupole trap with a simple time-of-flight mass spectrometer with medium-mass resolution (m/Δm ∼ 50) geared towards the demands of atomic, molecular, and chemical physics experiments. By utilizing a novel radial ion extraction scheme from the linear quadrupole trap into the mass analyzer, a device with large trap capacity and high optical access is realized without sacrificing mass resolution. This provides the ability to address trapped ions with laser light and facilitates interactions with neutral background gases prior to analyzing the trapped ions. Here, we describe the construction and implementation of the device as well as present representative ToF spectra. We conclude by demonstrating the flexibility of the device with proof-of-principle experiments that include the observation of molecular-ion photodissociation and the measurement of trapped-ion chemical reaction rates. © 2012 American Institute of Physics

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.

A cylindrical Penning trap for capture, mass selective cooling, and bunching of radioactive ion beams

International Nuclear Information System (INIS)

Raimbault-Hartmann, H.; Bollen, G.; Beck, D.; Koenig, M.; Kluge, H.-J.; Schwarz, S.; Schark, E.; Stein, J.; Szerypo, J.

1997-01-01

A Penning trap ion accumulator, cooler, and buncher for low-energy ion beams has been developed for the ISOLTRAP mass spectrometer at ISOLDE/CERN. A cylindrical electrode configuration is used for the creation of a nested trapping potential. This is required for efficient accumulation of externally produced ions and for high-mass selectivity by buffer gas cooling. The design goal of a mass resolving power of about 1 x 10 5 has been achieved. Isobar separation has been demonstrated for radioactive rare-earth ion beams delivered by the ISOLDE on-line mass separator. (orig.)

A cylindrical Penning trap for capture, mass selective cooling, and bunching of radioactive ion beams

CERN Document Server

Raimbault-Hartmann, H; Bollen, G; König, M; Kluge, H J; Schark, E; Stein, J; Schwarz, S; Szerypo, J

1997-01-01

A Penning trap ion accumulator, cooler, and buncher for low energy ion beams has been developed for the ISOLTRAP mass spectrometer at ISOLDE/CERN. A cylindrical electrode configuration is used for the creation of a nested trapping potential. This is required for efficient accumulation of externally produced ions and for high mass selectivity by buffer gas cooling. The design goal of a mass resolving power of about $1\\cdot 10^{5}$ has been achieved. Isobar separation has been demonstrated for radioactive rare earth ion beams delivered by the ISOLDE on-line mass separator.

Final Report - Advanced Ion Trap Mass Spectrometry Program - Oak Ridge National Laboratory - Sandia National Laboratory

Energy Technology Data Exchange (ETDEWEB)

Whitten, W.B.

2002-12-18

This report covers the three main projects that collectively comprised the Advanced Ion Trap Mass Spectrometry Program. Chapter 1 describes the direct interrogation of individual particles by laser desorption within the ion trap mass spectrometer analyzer. The goals were (1) to develop an ''intelligent trigger'' capable of distinguishing particles of biological origin from those of nonbiological origin in the background and interferent particles and (2) to explore the capability for individual particle identification. Direct interrogation of particles by laser ablation and ion trap mass spectrometry was shown to have good promise for discriminating between particles of biological origin and those of nonbiological origin, although detailed protocols and operating conditions were not worked out. A library of more than 20,000 spectra of various types of biological particles has been assembled. Methods based on multivariate analysis and on neural networks were used to discriminate between particles of biological origin and those of nonbiological origin. It was possible to discriminate between at least some species of bacteria if mass spectra of several hundred similar particles were obtained. Chapter 2 addresses the development of a new ion trap mass analyzer geometry that offers the potential for a significant increase in ion storage capacity for a given set of analyzer operating conditions. This geometry may lead to the development of smaller, lower-power field-portable ion trap mass spectrometers while retaining laboratory-scale analytical performance. A novel ion trap mass spectrometer based on toroidal ion storage geometry has been developed. The analyzer geometry is based on the edge rotation of a quadrupolar ion trap cross section into the shape of a torus. Initial performance of this device was poor, however, due to the significant contribution of nonlinear fields introduced by the rotation of the symmetric ion-trapping geometry. These

Trapping radioactive ions

CERN Document Server

Kluge, Heinz-Jürgen

2004-01-01

Trapping devices for atomic and nuclear physics experiments with radioactive ions are becoming more and more important at accelerator facilities. While about ten years ago only one online Penning trap experiment existed, namely ISOLTRAP at ISOLDE/CERN, meanwhile almost every radioactive beam facility has installed or plans an ion trap setup. This article gives an overview on ion traps in the operation, construction or planing phase which will be used for fundamental studies with short-lived radioactive nuclides such as mass spectrometry, laser spectroscopy and nuclear decay spectroscopy. In addition, this article summarizes the use of gas cells and radiofrequency quadrupole (Paul) traps at different facilities as a versatile tool for ion beam manipulation like retardation, cooling, bunching, and cleaning.

Trapping radioactive ions

International Nuclear Information System (INIS)

Kluge, H.-J.; Blaum, K.

2004-01-01

Trapping devices for atomic and nuclear physics experiments with radioactive ions are becoming more and more important at accelerator facilities. While about ten years ago only one online Penning trap experiment existed, namely ISOLTRAP at ISOLDE/CERN, meanwhile almost every radioactive beam facility has installed or plans an ion trap setup. This article gives an overview on ion traps in the operation, construction or planing phase which will be used for fundamental studies with short-lived radioactive nuclides such as mass spectrometry, laser spectroscopy and nuclear decay spectroscopy. In addition, this article summarizes the use of gas cells and radiofrequency quadrupole (Paul) traps at different facilities as a versatile tool for ion beam manipulation like retardation, cooling, bunching, and cleaning

Radiogas chromatography mass spectrometry in the selected ion monitoring mode

International Nuclear Information System (INIS)

Doerfler, D.L.; Rosenblum, E.R.; Malloy, J.M.; Naworal, J.D.; McManus, I.R.; Campbell, I.M.

1980-01-01

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

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

Science.gov (United States)

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

2016-10-01

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

Simultaneous screening and confirmation of multiple classes of drug residues in fish by liquid chromatography-ion trap mass spectrometry.

Science.gov (United States)

Smith, Shani; Gieseker, Charles; Reimschuessel, Renate; Decker, Christie-Sue; Carson, Mary C

2009-11-13

LC-ion trap mass spectrometry was used to screen and confirm 38 compounds from a variety of drug classes in four species of fish: trout, salmon, catfish, and tilapia. Samples were extracted with acetonitrile and hexane. The acetonitrile phase was evaporated, redissolved in water and acetonitrile, and analyzed by gradient chromatography on a phenyl column. MS(2) or MS(3) spectra were monitored for each compound. Qualitative method performance was evaluated by the analysis over several days of replicate samples of control fish, fish fortified with a drug mixture at 1 ppm, 0.1 ppm and 0.01 ppm, and fish dosed with a representative from each drug class. Half of the 38 drugs were confirmed at 0.01 ppm, the lowest fortification level. This included all of the quinolones and fluoroquinolones, the macrolides, malachite green, and most of the imidazoles. Florfenicol amine, metronidazole, sulfonamides, tetracyclines, and most of the betalactams were confirmed at 0.1 ppm. Ivermectin and penicillin G were only detectable in the 1 ppm fortified samples. With the exception of amoxicillin, emamectin, metronidazole, and tylosin, residue presence was confirmed in all the dosed fish.

Microfabricated linear Paul-Straubel ion trap

Science.gov (United States)

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

2011-04-19

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

Development and validation of automatic HS-SPME with a gas chromatography-ion trap/mass spectrometry method for analysis of volatiles in wines.

Science.gov (United States)

Paula Barros, Elisabete; Moreira, Nathalie; Elias Pereira, Giuliano; Leite, Selma Gomes Ferreira; Moraes Rezende, Claudia; Guedes de Pinho, Paula

2012-11-15

An automated headspace solid-phase microextraction (HS-SPME) combined with gas chromatography-ion trap/mass spectrometry (GC-IT/MS) was developed in order to quantify a large number of volatile compounds in wines such as alcohols, ester, norisoprenoids and terpenes. The procedures were optimized for SPME fiber selection, pre-incubation temperature and time, extraction temperature and time, and salt addition. A central composite experimental design was used in the optimization of the extraction conditions. The volatile compounds showed optimal extraction using a DVB/CAR/PDMS fiber, incubation of 5 ml of wine with 2g NaCl at 45 °C during 5 min, and subsequent extraction of 30 min at the same temperature. The method allowed the identification of 64 volatile compounds. Afterwards, the method was validated successfully for the most significant compounds and was applied to study the volatile composition of different white wines. Copyright © 2012 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.

Gas Chromatographic-Ion Trap Mass Spectrometric Analysis of Volatile Organic Compounds by Ion-Molecule Reactions Using the Electron-Deficient Reagent Ion CCl{3/+}

Science.gov (United States)

Wang, Cheng-Zhong; Su, Yue; Wang, Hao-Yang; Guo, Yin-Long

2011-10-01

When using tetrachloromethane as the reagent gas in gas chromatography-ion trap mass spectrometry equipped with hybrid ionization source, the cation CCl{3/+} was generated in high abundance and further gas-phase experiments showed that such an electron-deficient reagent ion CCl{3/+} could undergo interesting ion-molecule reactions with various volatile organic compounds, which not only present some informative gas-phase reactions, but also facilitate qualitative analysis of diverse volatile compounds by providing unique mass spectral data that are characteristic of particular chemical structures. The ion-molecule reactions of the reagent ion CCl{3/+} with different types of compounds were studied, and results showed that such reactions could give rise to structurally diagnostic ions, such as [M + CCl3 - HCl]+ for aromatic hydrocarbons, [M - OH]+ for saturated cyclic ether, ketone, and alcoholic compounds, [M - H]+ ion for monoterpenes, M·+ for sesquiterpenes, [M - CH3CO]+ for esters, as well as the further fragment ions. The mechanisms of ion-molecule reactions of aromatic hydrocarbons, aliphatic ketones and alcoholic compounds with the reagent ion CCl{3/+} were investigated and proposed according to the information provided by MS/MS experiments and theoretical calculations. Then, this method was applied to study volatile organic compounds in Dendranthema indicum var. aromaticum and 20 compounds, including monoterpenes and their oxygen-containing derivatives, aromatic hydrocarbon and sesquiterpenes were identified using such ion-molecule reactions. This study offers a perspective and an alternative tool for the analysis and identification of various volatile compounds.

The mass of $^{22}$Mg and a concept for a novel laser ion source trap

CERN Document Server

Mukherjee, Manas

Clean and high-quality radioactive ion beams can be prepared by combining ion trap and resonance laser ionization techniques. A feasibility study for such a laser ion source trap has been carried out which shows enormous improvement in the beam emittance, purity, and in addition allows for a variation of the ion beam time structure. Direct high-precision mass measurements around mass number A=22 are of utmost importance. First, the masses of the superallowed $\\beta$-emitter $^{22}$Mg and its daughter $^{22}$Na are needed to test the conserved-vector-current(CVC) hypothesis and the Cabibbo-Kobayashi-Maskawa(CKM) matrix unitarity, both being predictions of the Standard Model. Second, to calculate the reaction rate of $^{21}$Na($p,\\gamma$)$^{22}$Mg the involved masses are required very accurately. This rate is needed in order to extract an upper limit on the amount of a characteristic $\\gamma$-radiation emitted from classical nova bursts which has been searched for but not yet detected. At the triple trap mass s...

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.

Ion-pairing reversed-phased chromatography/mass spectrometry of heparin

DEFF Research Database (Denmark)

Henriksen, Jens; Roepstorff, Peter; Ringborg, Lene H.

2006-01-01

not well characterised. In order to further characterise such mixtures, two on-line ion-pairing reverse-phased chromatography electrospray ionisation (ESI) mass spectrometry methods have been developed. One of the systems allows the determination of more than 200 components in a medium molecular weight...

Liquid chromatography/negative electrospray ionization ion trap MS(2) mass spectrometry application for the determination of microcystins occurrence in Southern Portugal water reservoirs.

Science.gov (United States)

Rodrigues, M A; Reis, M P; Mateus, M C

2013-11-01

Microcystins (MCs) are toxins produced by cyanobacteria which are common organisms in the phytoplankton of eutrophic lakes, rivers and freshwater reservoirs. In the present work, a novel method of liquid chromatography-electrospray ion trap tandem mass spectrometry (LC/ESI/Ion trap-MS/MS), operated in the negative ionization mode, was developed for the analysis of these cyanotoxins. The method was applied to determine the amounts of total microcystins-LR, -YR and -RR in two water reservoirs in Southern Portugal, namely Alqueva and Beliche. A total of 30 water samples were analysed along 2011. Solid phase extraction (SPE) was used for sample cleaning-up and analyte enrichment. The extracted toxins were separated on a C18 column with a gradient of acetonitrile/water with 0.1% formic acid. Detection of microcystins was carried out using multiple reaction monitoring (MRM) in the negative polarity mode, as this method gave a higher selectivity. The MC-RR, YR and LR quantification limits were 17.9, 31.7 and 15.8 ng/L, respectively; quite below the limits recommended by WHO guidelines for drinking water (1 μg/L). Total MC highest concentrations were found in the warm months of June, July and September in Alqueva sampling sites, with concentrations of MC LR and RR ranging 17-344 and 25-212 ng/L, respectively, showing comparable results for MC-RR and LR and slightly lower concentration of MC-YR. Detected values for Beliche reservoir were below quantification limits. Copyright © 2013 Elsevier Ltd. All rights reserved.

Determination of ifosfamide, 2-and 3-dechloroethyifosfamide using gas chromatography with nitrogen-phosphorus or mass spectrometry detection

NARCIS (Netherlands)

Kerbusch, T; Jeuken, MJ; Derraz, J; van Putten, JWG; Huitema, ADR; Beijnen, JH

2000-01-01

A comparison was made between methods for determining ifosfamide (IF), 2- (2DCE) and 3-dechloroethylifosfamide (3DCE) using gas chromatography with nitrogen-phosphorus detection (GC-NPD) versus positive ion electron-impact ion-trap mass spectrometry (GC-MS'). Sample pretreatment involved

Multiwalled carbon nanotubes as a solid-phase extraction adsorbent for the determination of three barbiturates in pork by ion trap gas chromatography-tandem mass spectrometry (GC/MS/MS) following microwave assisted derivatization

Energy Technology Data Exchange (ETDEWEB)

Zhao Haixiang [College of Science, China Agricultural University, Beijing 100094 (China); Inspection Technology and Equipment Institute, Chinese Academy of Inspection and Quarantine, Beijing 100025 (China); Department of Basic Agricultural Science, Hebei North College, Zhangjiakou Hebei 075131 (China); Wang Liping [College of Science, China Agricultural University, Beijing 100094 (China); Qiu Yueming [Inspection Technology and Equipment Institute, Chinese Academy of Inspection and Quarantine, Beijing 100025 (China); Zhou Zhiqiang [College of Science, China Agricultural University, Beijing 100094 (China)]. E-mail: zqzhou@cau.edu.cn; Zhong Weike [Inspection Technology and Equipment Institute, Chinese Academy of Inspection and Quarantine, Beijing 100025 (China); Li Xiang [Inspection Technology and Equipment Institute, Chinese Academy of Inspection and Quarantine, Beijing 100025 (China)

2007-03-14

A new method was developed for the rapid screening and confirmation analysis of barbital, amobarbital and phenobarbital residues in pork by gas chromatography-tandem mass spectrometry (GC/MS/MS) with ion trap MSD. The residual barbiturates in pork were extracted by ultrasonic extraction, cleaned up on a multiwalled carbon nanotubes (MWCNTs) packed solid phase extraction (SPE) cartridge and applied acetone-ethyl acetate (3:7, v/v) mixture as eluting solvent and derivatized with CH{sub 3}I under microwave irradiation. The methylated barbiturates were separated on a TR-5MS capillary column and detected with an ion trap mass detector. Electron impact ion source (EI) operating MS/MS mode was adopted for identification and external standard method was employed for quantification. One precursor ion m/z 169 was selected for analysis of barbital and amobarbital and m/z 232 was selected for phenobarbital. The product ions were obtained under 1.0 V excitation voltage. Good linearities (linear coefficient R > 0.99) were obtained at the range of 0.5-50 {mu}g kg{sup -1}. Limit of detection (LOD) of barbital was 0.2 {mu}g kg{sup -1} and that of amobarbital and phenobarbital were both 0.1 {mu}g kg{sup -1} (S/N {>=} 3). Limit of quatification (LOQ) was 0.5 {mu}g kg{sup -1} for three barbiturates (S/N {>=} 10). Satisfying recoveries ranging from 75% to 96% of the three barbiturates spiked in pork were obtained, with relative standard deviations (R.S.D.) in the range of 2.1-7.8%.

Multiwalled carbon nanotubes as a solid-phase extraction adsorbent for the determination of three barbiturates in pork by ion trap gas chromatography-tandem mass spectrometry (GC/MS/MS) following microwave assisted derivatization

International Nuclear Information System (INIS)

Zhao Haixiang; Wang Liping; Qiu Yueming; Zhou Zhiqiang; Zhong Weike; Li Xiang

2007-01-01

A new method was developed for the rapid screening and confirmation analysis of barbital, amobarbital and phenobarbital residues in pork by gas chromatography-tandem mass spectrometry (GC/MS/MS) with ion trap MSD. The residual barbiturates in pork were extracted by ultrasonic extraction, cleaned up on a multiwalled carbon nanotubes (MWCNTs) packed solid phase extraction (SPE) cartridge and applied acetone-ethyl acetate (3:7, v/v) mixture as eluting solvent and derivatized with CH 3 I under microwave irradiation. The methylated barbiturates were separated on a TR-5MS capillary column and detected with an ion trap mass detector. Electron impact ion source (EI) operating MS/MS mode was adopted for identification and external standard method was employed for quantification. One precursor ion m/z 169 was selected for analysis of barbital and amobarbital and m/z 232 was selected for phenobarbital. The product ions were obtained under 1.0 V excitation voltage. Good linearities (linear coefficient R > 0.99) were obtained at the range of 0.5-50 μg kg -1 . Limit of detection (LOD) of barbital was 0.2 μg kg -1 and that of amobarbital and phenobarbital were both 0.1 μg kg -1 (S/N ≥ 3). Limit of quatification (LOQ) was 0.5 μg kg -1 for three barbiturates (S/N ≥ 10). Satisfying recoveries ranging from 75% to 96% of the three barbiturates spiked in pork were obtained, with relative standard deviations (R.S.D.) in the range of 2.1-7.8%

Screening of Carotenoids in Tomato Fruits by Using Liquid Chromatography with Diode Array-Linear Ion Trap Mass Spectrometry Detection.

Science.gov (United States)

Gentili, Alessandra; Caretti, Fulvia; Ventura, Salvatore; Pérez-Fernández, Virginia; Venditti, Alessandro; Curini, Roberta

2015-08-26

This paper presents an analytical strategy for a large-scale screening of carotenoids in tomato fruits by exploiting the potentialities of the triple quadrupole-linear ion trap hybrid mass spectrometer (QqQLIT). The method involves separation on C30 reversed-phase column and identification by means of diode array detection (DAD) and atmospheric pressure chemical ionization-mass spectrometry (APCI-MS). The authentic standards of six model compounds were used to optimize the separative conditions and to predict the chromatographic behavior of untargeted carotenoids. An information dependent acquisition (IDA) was performed with (i) enhanced-mass scan (EMS) as the survey scan, (ii) enhanced-resolution (ER) scan to obtain the exact mass of the precursor ions (16-35 ppm), and (iii) enhanced product ion (EPI) scan as dependent scan to obtain structural information. LC-DAD-multiple reaction monitoring (MRM) chromatograms were also acquired for the identification of targeted carotenoids occurring at low concentrations; for the first time, the relative abundance between the MRM transitions (ion ratio) was used as an extra tool for the MS distinction of structural isomers and the related families of geometrical isomers. The whole analytical strategy was high-throughput, because a great number of experimental data could be acquired with few analytical steps, and cost-effective, because only few standards were used; when applied to characterize some tomato varieties ('Tangerine', 'Pachino', 'Datterino', and 'Camone') and passata of 'San Marzano' tomatoes, our method succeeded in identifying up to 44 carotenoids in the 'Tangerine'" variety.

Ion bunch stacking in a Penning trap after purification in an electrostatic mirror trap

CERN Document Server

Rosenbusch, M; Blaum, K; Borgmann, Ch; Kreim, S; Lunney, D; Manea, V; Schweikhard, L; Wienholtz, F; Wolf, R N

2014-01-01

The success of many measurements in analytical mass spectrometry as well as in precision mass determinations for atomic and nuclear physics is handicapped when the ion sources deliver ``contaminations'', i.e., unwanted ions of masses similar to those of the ions of interest. In particular, in ion-trapping devices, large amounts of contaminant ions result in significant systematic errors-if the measurements are possible at all. We present a solution for such cases: The ions from a quasi-continuous source are bunched in a linear radio-frequency-quadrupole ion trap, separated by a multi-reflection time-of-flight section followed by a Bradbury-Nielsen gate, and then captured in a Penning trap. Buffer-gas cooling is used to damp the ion motion in the latter, which allows a repeated opening of the Penning trap for a stacking of mass-selected ion bunches. Proof-of-principle demonstrations have been performed with the ISOLTRAP setup at ISOLDE/CERN, both with Cs-133(+) ions from an off-line ion source and by applicati...

Laser induced fluorescence of trapped molecular ions

Energy Technology Data Exchange (ETDEWEB)

Grieman, F.J.

1979-10-01

An experimental apparatus for obtaining the optical spectra of molecular ions is described. The experimental technique includes the use of three dimensional ion trapping, laser induced fluorescence, and gated photon counting methods. The ions, which are produced by electron impact, are confined in a radio-frequency quadrupole ion trap of cylindrical design. Because the quadrupole ion trap allows mass selection of the molecular ion desired for study, the analysis of the spectra obtained is greatly simplified. The ion trap also confines the ions to a region easily probed by a laser beam. 18 references.

Laser induced fluorescence of trapped molecular ions

International Nuclear Information System (INIS)

Grieman, F.J.

1979-10-01

An experimental apparatus for obtaining the optical spectra of molecular ions is described. The experimental technique includes the use of three dimensional ion trapping, laser induced fluorescence, and gated photon counting methods. The ions, which are produced by electron impact, are confined in a radio-frequency quadrupole ion trap of cylindrical design. Because the quadrupole ion trap allows mass selection of the molecular ion desired for study, the analysis of the spectra obtained is greatly simplified. The ion trap also confines the ions to a region easily probed by a laser beam. 18 references

Separation and analysis of phenolic acids from Salvia miltiorrhiza and its related preparations by off-line two-dimensional hydrophilic interaction chromatography×reversed-phase liquid chromatography coupled with ion trap time-of-flight mass spectrometry.

Science.gov (United States)

Sun, Wanyang; Tong, Ling; Miao, Jingzhuo; Huang, Jingyi; Li, Dongxiang; Li, Yunfei; Xiao, Hongting; Sun, Henry; Bi, Kaishun

2016-01-29

Salvia miltiorrhiza (SM) is one of the most widely used Traditional Chinese Medicine. Active constituents of SM mainly contain hydrophilic phenolic acids (PAs) and lipophilic tanshinones. However, due to the existing of multiple ester bonds and unsaturated bonds in the structures, PAs have numerous chemical conversion products. Many of them are so low-abundant that hard to be separated using conventional methods. In this study, an off-line two-dimensional liquid chromatography (2D-LC) method was developed to separate PAs in SM and its related preparations. In the first dimension, samples were fractionated by hydrophilic interaction chromatography (HILIC) (Acchrom×Amide, 4.6×250mm, 5μm) mainly based on the hydrogen bonding effects. The fractions were then separated on reversed-phase liquid chromatography (RP-LC) (Acquity HSS T3, 2.1×50mm, 1.7μm) according to hydrophobicity. For the selective identification of PAs, diode array detector (DAD) and electrospray ionization tandem ion trap time-of-flight mass spectrometry (ESI-IT-TOF-MS) were employed. Practical and effective peak capacities of all the samples were greater than 2046 and 1130, respectively, with the orthogonalities ranged from 69.7% to 92.8%, which indicated the high efficiency and versatility of this method. By utilizing the data post-processing techniques, including mass defect filter, neutral loss filter and product ion filter, a total of 265 compounds comprising 196 potentially new PAs were tentatively characterized. Twelve kinds of derivatives, mainly including glycosylated compounds, O-alkylated compounds, condensed compounds and hydrolyzed compounds, constituted the novelty of the newly identified PAs. The HILIC×RP-LC/TOF-MS system expanded our understanding on PAs of S. miltiorrhiza and its related preparations, which could also benefit the separation and characterization of polar constituents in complicated herbal extracts. Copyright © 2016. Published by Elsevier B.V.

Ion counting method and it's operational characteristics in gas chromatography-mass spectrometry

International Nuclear Information System (INIS)

Fujii, Toshihiro

1976-01-01

Ion counting method with continuous channel electron multiplier which affords the direct detection of very small ion currents and it's operational characteristics were studied in gas chromatography-mass spectrometry. Then this method was applied to the single ion detection technique of GC-MS. A detection limit was measured, using various standard samples of low level concentration. (auth.)

Sympathetic cooling of ions in a hybrid atom ion trap

Energy Technology Data Exchange (ETDEWEB)

Hoeltkemeier, Bastian

2016-10-27

In this thesis the dynamics of a trapped ion immersed in a spatially localized buffer gas is investigated. For a homogeneous buffer gas, the ion's energy distribution reaches a stable equilibrium only if the mass of the buffer gas atoms is below a critical value. This limitation can be overcome by using multipole traps in combination and/or a spatially confined buffer gas. Using a generalized model for elastic collisions of the ion with the buffer gas atoms, the ion's energy distribution is numerically determined for arbitrary buffer gas distributions and trap parameters. Three regimes characterized by the respective analytic form of the ion's equilibrium energy distribution are found. One of these is a novel regime at large atom-to-ion mass ratios where the final ion temperature can tuned by adiabatically decreasing the spatial extension of the buffer gas and the effective ion trap depth (forced sympathetic cooling). The second part of the thesis presents a hybrid atom ion trap designed for sympathetic cooling of hydroxide anions. In this hybrid trap the anions are immersed in a cloud of laser cooled rubidium atoms. The translational and rovibrational temperatures of the anions is probed by photodetachment tomography and spectroscopy which shows the first ever indication of sympathetic cooling of anions by laser cooled atoms.

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

Energy Technology Data Exchange (ETDEWEB)

Greenwood, J. B.; Kelly, O.; Calvert, C. R.; Duffy, M. J.; King, R. B.; Belshaw, L.; Graham, L.; Alexander, J. D.; Williams, I. D. [Centre for Plasma Physics, School of Mathematics and Physics, Queen' s University Belfast, Belfast BT7 1NN (United Kingdom); Bryan, W. A. [Department of Physics, Swansea University, Swansea SA2 8PP (United Kingdom); Turcu, I. C. E.; Cacho, C. M.; Springate, E. [Central Laser Facility, STFC Rutherford Appleton Laboratory, Didcot, Oxfordshire OX11 0QX (United Kingdom)

2011-04-15

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

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

Science.gov (United States)

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

2015-11-01

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

Ion-trap tandem mass spectrometry. A reliable technique for the analysis of PCDD/Fs and dioxin-like PCBs in food and feed samples

Energy Technology Data Exchange (ETDEWEB)

Santos, F J; Malavia, J; Galceran, M T [Barcelona Univ. (Spain). Dept. of Analytical Chemistry; Abalos, M; Abad, E; Rivera, J [Mass Spectrometry Laboratory, Dept. of Ecotechnologies, IIQAB-CSIC, Barcelona (Spain)

2004-09-15

The recent establishment of maximum residue limits for polychlorodibenzo-pdioxins (PCDDs) and dibenzofurans (PCDFs) in food and feed samples by the European Community and the future inclusion of dioxin-like polychlorinated biphenyls (dl-PCBs) in these values at the end of 2006, has led to an important increase on the routine analysis of these compounds. Therefore, there is a clear need to have powerful sensitive and selective methods for the analysis of these compounds at low concentration levels. Actually, gas chromatography coupled with high resolution mass spectrometry (GC-HRMS) is the technique of reference for the determination of these analytes in environmental and food samples due to its high sensitivity and selectivity. Nevertheless, this technique is relatively expensive and requires qualifier personnel. Therefore, the development of more economical but reliable methods that can deliver results comparable to GC-HRMS is required. During the last years, gas chromatography coupled with ion trap mass spectrometry (GC-ITMS) working in MS/MS mode has become an interesting alternative technique to GC-HRMS for the analysis of PCDD/Fs and dl-PCBs. The aim of the present work is to demonstrate the ability of the gas chromatography coupled with ion-trap tandem mass spectrometry (GC-ITMS/MS) for the analysis of PCDD/Fs and dl-PCBs in food and feed samples. This work was performed on the framework of the European research project called DIFFERENCE (Dioxins in Food and Feed - Reference methods and New Certified Reference Materials) with the objective to validate the GC-ITMS/MS method as alternative to HRMS in order to reduce the cost of dioxin analysis. The results and conclusions of the evaluation study are presented here.

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

Science.gov (United States)

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

2017-04-18

Mass resolution (M/ΔM fwhm) is observed to linearly increase with harmonic order in a Fourier transform electrostatic linear ion trap (ELIT) mass spectrometer. This behavior was predicted by Grosshans and Marshall for frequency-multiple detection in a Fourier transform ion cyclotron resonance mass spectrometer only for situations when the prominent mechanism for signal decay is ion ejection from the trap. As the analyzer pressure in our ELIT chamber is relatively high, such that collisional scattering and collision-induced dissociation are expected to underlie much of the ion loss, we sought to explore the relationship between harmonic order and mass resolution. Mass resolutions of 36 900 (fundamental), 75 850 (2nd harmonic), and 108 200 (3rd harmonic) were obtained for GdO + (avg. m/z 173.919) with a transient length of 300 ms. To demonstrate that the mass resolution was truly increasing with harmonic order, the unresolved isotopes at the fundamental distribution of cytochrome c +8 (m/z ∼ 1549) were nearly baseline, resolved at the third harmonic (mass resolution ≈ 23 000) with a transient length of only 200 ms. This experiment demonstrates that, when the ion density is sufficiently low, ions with frequency differences of less than 4 Hz remain uncoalesced. Higher harmonics can be used to increase the effective mass resolution for a fixed transient length and thereby may enable the resolution of closely spaced masses, determination of a protein ion's charge state, and study of the onset of peak coalescence when the resolution at the fundamental frequency is insufficient.

MOMA and other next-generation ion trap mass spectrometers for planetary exploration

Science.gov (United States)

Arevalo, R. D., Jr.; Brinckerhoff, W. B.; Getty, S.; Mahaffy, P. R.; van Amerom, F. H. W.; Danell, R.; Pinnick, V. T.; Li, X.; Grubisic, A.; Southard, A. E.; Hovmand, L.; Cottin, H.; Makarov, A.

2016-12-01

Since the 1970's, quadrupole mass spectrometer (QMS) systems have served as low-risk, cost-efficient means to explore the inner and outer reaches of the solar system. These legacy instruments have interrogated the compositions of the lunar exosphere (LADEE), surface materials on Mars (MSL), and the atmospheres of Venus (Pioneer Venus), Mars (MAVEN) and outer planets (Galileo and Cassini-Huygens). However, the in situ detection of organic compounds on Mars and Titan, coupled with ground-based measurements of amino acids in meteorites and a variety of organics in comets, has underlined the importance of molecular disambiguation in the characterization of high-priority planetary environments. The Mars Organic Molecule Analyzer (MOMA) flight instrument, centered on a linear ion trap, enables the in situ detection of volatile and non-volatile organics, but also the characterization of molecular structures through SWIFT ion isolation/excitation and tandem mass spectrometry (MSn). Like the SAM instrument on MSL, the MOMA investigation also includes a gas chromatograph (GC), thereby enabling the chemical separation of potential isobaric interferences based on retention times. The Linear Ion Trap Mass Spectrometer (LITMS; PI: William Brinckerhoff), developed to TRL 6 via the ROSES MatISSE Program, augments the core MOMA design and adds: expanded mass range (from 20 - 2000 Da); high-temperature evolved gas analysis (up to 1300°C); and, dual polarity detector assemblies (supporting the measurement of negative ions). The LITMS instrument will be tested in the field in 2017 through the Atacama Rover Astrobiology Drilling Studies (ARADS; PI: Brian Glass) ROSES PSTAR award. Following on these advancements, the Advanced Resolution Organic Molecule Analyzer (AROMA; PI: Ricardo Arevalo Jr.), supported through the ROSES PICASSO Program, combines a highly capable MOMA/LITMS-like linear ion trap and the ultrahigh resolution CosmOrbitrap mass analyzer developed by a consortium of five

Simultaneous determination of components released from dental composite resins in human saliva by liquid chromatography/multiple-stage ion trap mass spectrometry.

Science.gov (United States)

Hsu, Wei-Yi; Wang, Ven-Shing; Lai, Chien-Chen; Tsai, Fuu-Jen

2012-02-01

Dental composite resins are widely used for fixing teeth; however, the monomers used in dental composite resins have been found to be cytotoxic and genotoxic, namely triethylene glycol dimethacrylate (TEGDMA), urethane dimethacrylate (UDMA), and bisphenol A glycol dimethacrylate (Bis-GMA). In this study, we incubated dental composite resins with human saliva for demonstrating the released monomers and biodegradation products. A simple saliva sample dilution method without purification or derivatization was used for quantification. We found that liquid chromatography coupled with multiple-stage ion trap mass spectrometry (LC-MS(n) ) operated in selected reaction monitoring (SRM) mode was able to separate the three monomers within 10 min. The calibration curves were linear (R² >0.996) over a wide range for each monomer in saliva: TEGDMA, 5-500 ppb; UDMA, 5-100 ppb, and Bis-GMA, 5-700 ppb. Furthermore, several biodegradation products were discovered with data-dependent MS/MS scan techniques. Although TEGMA degradation products have previously been reported, we identified two previously unknown UDMA degradation products. The LC-MS/MS method developed in this study was able to successfully quantify monomers and their principal biodegradation products from dental composite resins in human saliva. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

PENTATRAP. A novel Penning-trap system for high-precision mass measurements

Energy Technology Data Exchange (ETDEWEB)

Doerr, Andreas

2015-01-21

The novel Penning-trap mass spectrometer PENTATRAP aims at mass-ratio determinations of medium-heavy to heavy ions with relative uncertainties below 10{sup -11}. From the mass ratios of certain ion species, the corresponding mass differences will be determined with sub-eV/c{sup 2} uncertainties. These mass differences are relevant for neutrino-mass experiments, a test of special relativity and tests of bound-state QED. Means to obtain the required precision are very stable trapping fields, the use of highly-charged ions produced by EBITs, a non-destructive cyclotron-frequency determination scheme employing detectors with single-ion sensitivity and a five-trap tower, that allows for measurement schemes being insensitive to magnetic field drifts. Within this thesis, part of the detection electronics was set up and tested under experimental conditions. A single-trap setup was realized. A Faraday cup in the trap tower enabled the proper adjustment of the settings of the beamline connecting the EBIT and the Penning-trap system, resulting in the first trapping of ions at PENTATRAP. A stabilization of switched voltages in the beamline and detailed studies of ion bunch characteristics allowed for reproducible loading of only a few ions. Detection of the axial oscillation of the trapped ions gave hints that in some cases, even single ions had been trapped. Furthermore, valuable conclusions about necessary modifications of the setup could be drawn.

Application of ultra-high pressure liquid chromatography linear ion-trap orbitrap to qualitative and quantitative assessment of pesticide residues.

Science.gov (United States)

Farré, M; Picó, Y; Barceló, D

2014-02-07

The analysis of pesticides residues using a last generation high resolution and high mass accuracy hybrid linear ion trap-Orbitrap mass spectrometer (LTQ-Orbitrap-MS) was explored. Pesticides were extracted from fruits, fish, bees and sediments by QuEChERS and from water by solid-phase with Oasis HLB cartridges. Ultra-high pressure liquid chromatography (UHPLC)-LTQ-Orbitrap mass spectrometer acquired full scan MS data for quantification, and data dependent (dd) MS(2) and MS(3) product ion spectra for identification and/or confirmation. The regression coefficients (r(2)) for the calibration curves (two order of magnitude up to the lowest calibration level) in the study were ≥0.99. The LODs for 54 validated compounds were ≤2ngmL(-1) (analytical standards). The relative standard deviation (RSD), which was used to estimate precision, was always lower than 22%. The recovery of extraction and matrix effects ranged from 58 to 120% and from -92 to 52%, respectively. Mass accuracy was always ≤4ppm, corresponding to a maximum mass error of 1.6millimass units (mmu). This procedure was then successfully applied to pesticide residues in a set of the above-mentioned food and environmental samples. In addition to target analytes, this method enables the simultaneous detection/identification of non-target pesticides, pharmaceuticals, drugs of abuse, mycotoxins, and their metabolites. Copyright © 2013 Elsevier B.V. All rights reserved.

Mass Spectrometric Analysis of Eight Common Chemical Explosives Using Ion Trap Mass Spectrometer

Energy Technology Data Exchange (ETDEWEB)

Park, Sehwan; Lee, Jihyeon; KIm, Jeongkwon [Chungnam National Univ., Daejeon (Korea, Republic of); Cho, Soo Gyeong; Goh, Eun Mee [Agency for Defense Development, Daejeon (Korea, Republic of); Lee, Sungman; Koh, Sungsuk [Sensor Tech Inc., Seoul (Korea, Republic of)

2013-12-15

Eight representative explosives (ammonium perchlorate (AP), ammonium nitrate (AN), trinitrotoluene (TNT), 2,4-dinitrotoluene (DNT), cyclonite (RDX), cyclotetramethylenetetranitramine (HMX), pentaerythritol tetranitrate (PETN), and hexanitrostilbene (HNS)) were comprehensively analyzed with an ion trap mass spectrometer in negative ion mode using direct infusion electrospray ionization. MS/MS experiments were performed to generate fragment ions from the major parent ion of each explosive. Explosives in salt forms such as AP or AN provided cluster parent ions with their own anions. Explosives with an aromatic ring were observed as either [M.H]{sup -} for TNT and DNT or [M]{sup ·-}. for HNS, while explosives without an aromatic ring such as RDX, HMX, and PETN were detected as an adduct ion with a formate anion, i. e., [M+HCOO]{sup -}. These findings provide a guideline for the rapid and accurate detection of explosives once portable MS instruments become more readily available.

Mass Spectrometric Analysis of Eight Common Chemical Explosives Using Ion Trap Mass Spectrometer

International Nuclear Information System (INIS)

Park, Sehwan; Lee, Jihyeon; KIm, Jeongkwon; Cho, Soo Gyeong; Goh, Eun Mee; Lee, Sungman; Koh, Sungsuk

2013-01-01

Eight representative explosives (ammonium perchlorate (AP), ammonium nitrate (AN), trinitrotoluene (TNT), 2,4-dinitrotoluene (DNT), cyclonite (RDX), cyclotetramethylenetetranitramine (HMX), pentaerythritol tetranitrate (PETN), and hexanitrostilbene (HNS)) were comprehensively analyzed with an ion trap mass spectrometer in negative ion mode using direct infusion electrospray ionization. MS/MS experiments were performed to generate fragment ions from the major parent ion of each explosive. Explosives in salt forms such as AP or AN provided cluster parent ions with their own anions. Explosives with an aromatic ring were observed as either [M.H] - for TNT and DNT or [M] ·- . for HNS, while explosives without an aromatic ring such as RDX, HMX, and PETN were detected as an adduct ion with a formate anion, i. e., [M+HCOO] - . These findings provide a guideline for the rapid and accurate detection of explosives once portable MS instruments become more readily available

Determination of N,N-dimethyltryptamine in beverages consumed in religious practices by headspace solid-phase microextraction followed by gas chromatography ion trap mass spectrometry.

Science.gov (United States)

Gaujac, Alain; Dempster, Nicola; Navickiene, Sandro; Brandt, Simon D; de Andrade, Jailson Bittencourt

2013-03-15

A novel analytical approach combining solid-phase microextraction (SPME)/gas chromatography ion trap mass spectrometry (GC-IT-MS) was developed for the detection and quantification N,N-dimethyltryptamine (DMT), a powerful psychoactive indole alkaloid present in a variety of South American indigenous beverages, such as ayahuasca and vinho da jurema. These particular plant products, often used within a religious context, are increasingly consumed throughout the world following an expansion of religious groups and the availability of plant material over the Internet and high street shops. The method described in the present study included the use of SPME in headspace mode combined GC-IT-MS and included the optimization of the SPME procedure using multivariate techniques. The method was performed with a polydimethylsiloxane/divinylbenzene (PDMS/DVB) fiber in headspace mode (70 min at 60 °C) which resulted in good precision (RSDvinho da jurema samples, obtained from Brazilian religious groups, which revealed DMT concentration levels between 0.10 and 1.81 g L(-1). Copyright © 2013 Elsevier B.V. All rights reserved.

New Methodologies for Qualitative and Semi-Quantitative Determination of Carbon-Centered Free Radicals in Cigarette Smoke Using Liquid ChromatographyTandem Mass Spectrometry and Gas Chromatography-Mass Selective Detection

Directory of Open Access Journals (Sweden)

Gerardi AR

2014-12-01

Full Text Available Several approaches were explored to develop a high throughput procedure for relative determination of 14 different carbon-centered free radicals, both acyl and alkylaminocarbonyl type, in cigarette smoke. Two trapping procedures using 3-cyano-2,2,5,5-tetramethyl-1-pyrrolidinyloxy, or 3-cyanoproxyl radical (3-CNP were designed for this study: a trapping in solution and b trapping on a solid support which was a Cambridge filter pad. Fresh whole smoke and vapor phase smoke from mainstream cigarette smoke from Kentucky Reference Cigarettes 2R4F, as partitioned via an unadulterated Cambridge filter pad, were transferred into each trapping system in separate experiments. The 3-CNP coated Cambridge filter pad approach was shown to be superior to the impinger procedure as described in this study. Gas chromatography coupled with mass selective detection (GC-MS was employed for the first time as an alternate means of detecting several relatively highly concentrated radical adducts. Liquid chromatography tandem mass spectrometry (LC-MS/MS with precursor ion monitoring and selected ion monitoring (SIM was used for detecting the large array of radicals, including several not previously reported: formyl, crotonyl, acrolein, aminocarbonyl, and anilinocarbonyl radicals. Relative quantitation was achieved using as external calibration standards of 4-(1-pyrrolidinobenzaldehyde and nicotine. It was determined that the yield of carbon-centered free radicals by reference cigarette 2R4F was approximately 265 nmoles/cigarette at 35 mL puff/60 sec interval/2 sec duration smoking conditions.

Optimization and simulation of MEMS rectilinear ion trap

Directory of Open Access Journals (Sweden)

Huang Gang

2015-04-01

Full Text Available In this paper, the design of a MEMS rectilinear ion trap was optimized under simulated conditions. The size range of the MEMS rectilinear ion trap’s electrodes studied in this paper is measured at micron scale. SIMION software was used to simulate the MEMS rectilinear ion trap with different sizes and different radio-frequency signals. The ion-trapping efficiencies of the ion trap under these different simulation conditions were obtained. The ion-trapping efficiencies were compared to determine the performance of the MEMS rectilinear ion trap in different conditions and to find the optimum conditions. The simulation results show that for the ion trap at micron scale or smaller, the optimized length–width ratio was 0.8, and a higher frequency of radio-frequency signal is necessary to obtain a higher ion-trapping efficiency. These results have a guiding role in the process of developing MEMS rectilinear ion traps, and great application prospects in the research fields of the MEMS rectilinear ion trap and the MEMS mass spectrometer.

Nanoelectrospray with ion-trap mass spectrometry for the determination of beta-casomorphins in derived milk products.

Science.gov (United States)

Juan-García, Ana; Font, Guillermina; Juan, Cristina; Picó, Yolanda

2009-11-15

Beta-casomorphins (b-CMs) are bioactive peptides derived from casein with opioid agonist effects similar to morphine. The use of electrospray (ESI) with quadrupole ion-trap mass spectrometry (QIT-MS) for these compounds in two matrices, cheese and milk, was examined. It was compared to a liquid chromatography (LC) coupled to mass spectrometry (LC-MS), and a "soft" ionisation technique, NanoMate, with selected ion monitoring (SIM), which are unreliable for the determination of trace casomorphins in derived milk products. b-CM mass fragmentation pathways were done for the four most common b-CMs: beta-casomorphin (1-5) bovine (b-CM-5), beta-casomorphin (1-7) bovine (b-CM-7), [D-Ala2, D-Pro4,Tyr5]-beta-casomorphin (1-5) amide (b-CM-10) and beta-casomorphin (1-5) amide [D-Ala2,Hyp4,Tyr5] (b-CM-11). The major product ions obtained in QIT-MS were used to construct fragmentation pathways for b-CMs. The different collision energies using automated nanoelectrospray ion source NanoMate and conventional LC in QIT-MS were studied. Calibration data for b-CMs, using spiked milk or cheese samples (10 g or 10 mL), were: NanoMate/MS (25-1000 microg/L), r(2)=0.998; NanoMate/MS(2) (5-1000 microg/L), r(2)=0.9992; NanoMate/MS(3) (2.5-1000 microg/L), r(2)=0.9998. Reproducibility data (% RSD, N=5) for NanoMate/MS(n) mode ranged between 2.0 at 500 microg/L and 7.0 at 10 microg/L.

Storage ion trap of an 'In-Flight Capture' type for precise mass measurement of radioactive nuclear reaction products and fission fragments

International Nuclear Information System (INIS)

Tarantin, N.I.

2001-01-01

Data on nuclear masses provide a basis for creating and testing various nuclear models. A tandem system of FLNR comprised of the U-400M cyclotron, the COMBAS magnetic separator and the mass-spectrometric ion trap of an 'in-flight capture' type is considered as a possible complex for producing of the short-lived nuclei in fragmentation reactions by heavy ions and for precise mass measurement of these nuclei. The plan of scientific and technical FLNR research includes a project DRIBs for producing beams of accelerated radioactive nuclear reaction products and photofission fragments. This project proposes also precise mass measurements of the fission fragment with the help of the ion trap. The in-flight entrance of the ions and their capture in the mass-spectrometric ion trap using the monochromatizing degrader, the static electric and magnetic fields and a new invention, a magnetic unidirectional transporting ventil, is considered

Utilization of the ion traps by SPIRAL

International Nuclear Information System (INIS)

Le Brun, C.; Lienard, E.; Mauger, F.; Tamain, B.

1997-01-01

An ion trap is a device capable of confine particles, ions or atoms in a well-controlled environment isolated from any exterior perturbations. There are different traps. They are utilized to collect or stock ions, to cool them after in order to subject them to high precision measurement of masses, magnetic moments, hyperfine properties, beta decay properties, etc. Some dozen of traps are currently used all over the world to study stable or radioactive ions.. SPIRAL has been designed and built to produce radioactive ions starting from various heavy ion beams. SPIRAL has the advantage that the projectile parameters, the target and the energy can be chosen to optimize the production in various regions of the nuclear chart. Also, in SPIRAL it is possible to extract more rapidly the radioactive ions formed in the targets. In addition, in SPIRAL the multicharged ion production in a ECR source is possible. The utilization of multicharged ions is indeed very useful for fast mass measurements or for the study of the interaction between the nucleus and the electronic cloud. Finally, utilization of a ion trap on SPIRAL can be designed first at the level of production target by installing a low energy output line. Than, the trap system could be up-graded and brought to its full utilization behind of the recoil spectrometer. It must be capable of selecting and slowing down the ions produced in the reactions (fusion transfer, very inelastic collisions, etc.) induced by the radioactive ions accelerated in CIME. At present, the collaboration is debating on the most favored subject to study and the most suited experimental setups. The following subjects were selected: ion capture, purification and manipulation; isomers (separation and utilization); mass measurements; hyperfine interactions; lifetimes, nuclear electric cloud; β decays; study of the N = Z nuclei close to the proton drip line; physical and chemical properties of transuranium systems

Single Ion Trapping for the Enriched Xenon Observatory

Energy Technology Data Exchange (ETDEWEB)

Waldman, Samuel J.; /Stanford U., Phys. Dept. /SLAC

2006-03-28

In the last decade, a variety of neutrino oscillation experiments have established that there is a mass difference between neutrino flavors, without determining the absolute neutrino mass scale. The Enriched Xenon Observatory for neutrinoless double beta decay (EXO) will search for the rare decays of xenon to determine the absolute value of the neutrino mass. The experiment uses a novel technique to minimize backgrounds, identifying the decay daughter product in real time using single ion spectroscopy. Here, we describe single ion trapping and spectroscopy compatible with the EXO detector. We extend the technique of single ion trapping in ultrahigh vacuum to trapping in xenon gas. With this technique, EXO will achieve a neutrino mass sensitivity of {approx_equal} .010 eV.

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)

Active stabilization of ion trap radiofrequency potentials

Energy Technology Data Exchange (ETDEWEB)

Johnson, K. G.; Wong-Campos, J. D.; Restelli, A.; Landsman, K. A.; Neyenhuis, B.; Mizrahi, J.; Monroe, C. [Joint Quantum Institute and University of Maryland Department of Physics, College Park, Maryland 20742 (United States)

2016-05-15

We actively stabilize the harmonic oscillation frequency of a laser-cooled atomic ion confined in a radiofrequency (rf) Paul trap by sampling and rectifying the high voltage rf applied to the trap electrodes. We are able to stabilize the 1 MHz atomic oscillation frequency to be better than 10 Hz or 10 ppm. This represents a suppression of ambient noise on the rf circuit by 34 dB. This technique could impact the sensitivity of ion trap mass spectrometry and the fidelity of quantum operations in ion trap quantum information applications.

Identification of chemical components in Baidianling Capsule based on gas chromatography-mass spectrometry and high-performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry.

Science.gov (United States)

Wu, Wenying; Chen, Yu; Wang, Binjie; Sun, Xiaoyang; Guo, Ping; Chen, Xiaohui

2017-08-01

Baidianling Capsule, which is made from 16 Chinese herbs, has been widely used for treating vitiligo clinically. In this study, the sensitive and rapid method has been developed for the analysis of chemical components in Baidianling Capsule by gas chromatography-mass spectrometry in combination with retention indices and high-performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry. Firstly, a total of 110 potential volatile compounds obtained from different extraction procedures including alkanes, alkenes, alkynes, ketones, ethers, aldehydes, alcohols, phenols, organic acids, esters, furans, pyrrole, acid amides, heterocycles, and oxides were detected from Baidianling Capsule by gas chromatography-mass spectrometry, of which 75 were identified by mass spectrometry in combination with the retention index. Then, a total of 124 components were tentatively identified by high-performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry. Fifteen constituents from Baidianling Capsule were accurately identified by comparing the retention times with those of reference compounds, others were identified by comparing the retention times and mass spectrometry data, as well as retrieving the reference literature. This study provides a practical strategy for rapidly screening and identifying the multiple constituents of a complex traditional Chinese medicine. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Development of a multiplexed interface for capillary electrophoresis-electrospray ion trap mass spectrometry.

Science.gov (United States)

Li, Fu-An; Wu, Ming-Chi; Her, Guor-Rong

2006-08-01

A four-channel multiplexed electrospray capillary electrophoresis interface has been developed. This new interface permits up to four capillary electrophoresis columns to be sampled sequentially by means of a stepper motor and a notched rotating plate assembly, which at any instant occludes all but a single sprayer. In this design, four sheath liquid electrospray probes are oriented in a circular array situated 90 degrees relative to one another. The rotating metal disk, which contains a one-quarter notch, is mounted to the stepper motor assembly and is located between the sprayers and the entrance aperture of an ion trap mass spectrometer. By using the data acquisition signal from the ion trap mass spectrometer, the scan event is synchronized with the rotation of the metal disk. With this device, four discrete sample streams can be simultaneously analyzed, resulting in a 4-fold increase in analytical throughput.

Determination of pesticides associated with suspended sediments in the San Joaquin River, California, USA, using gas chromatography-ion trap mass spectrometry

Science.gov (United States)

Bergamaschi, B.A.; Baston, D.S.; Crepeau, K.L.; Kuivila, K.M.

1999-01-01

An analytical method useful for the quantification of a range of pesticides and pesticide degradation products associated with suspended sediments was developed by testing a variety of extraction and cleanup schemes. The final extraction and cleanup methods chosen for use are suitable for the quantification of the listed pesticides using gas chromatography-ion trap mass spectrometry and the removal of interfering coextractable organic material found in suspended sediments. Methylene chloride extraction followed by Florisil cleanup proved most effective for separation of coextractives from the pesticide analytes. Removal of elemental sulfur was accomplished with tetrabutylammonium hydrogen sulfite. The suitability of the method for the analysis of a variety of pesticides was evaluated, and the method detection limits (MDLs) were determined (0.1-6.0 ng/g dry weight of sediment) for 21 compounds. Recovery of pesticides dried onto natural sediments averaged 63%. Analysis of duplicate San Joaquin River suspended-sediment samples demonstrated the utility of the method for environmental samples with variability between replicate analyses lower than between environmental samples. Eight of 21 pesticides measured were observed at concentrations ranging from the MDL to more than 80 ng/g dry weight of sediment and exhibited significant temporal variability. Sediment-associated pesticides, therefore, may contribute to the transport of pesticides through aquatic systems and should be studied separately from dissolved pesticides.

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

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

Science.gov (United States)

Bao, Yuanwu; Wang, Quanying; Tang, Pingming

2013-03-01

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

Metabolism of nitazoxanide in rats, pigs, and chickens: Application of liquid chromatography coupled to hybrid linear ion trap/Orbitrap mass spectrometer.

Science.gov (United States)

Huang, Xianhui; Guo, Chunna; Chen, Zhangliu; Liu, Yahong; He, Limin; Zeng, Zhenling; Yan, Chaoqun; Pan, Guangfang; Li, Shuaipeng

2015-09-01

Nitazoxanide (NTZ) is a nitrothiazole benzamide compound with a broad activity spectrum against parasites, Gram-positive and Gram-negative anaerobic bacteria, and viruses. In this study, hybrid linear ion trap/Orbitrap mass spectrometer providing a high mass resolution and accuracy was used to investigate the metabolism of NTZ in rats, pigs, and chickens. The results revealed that acetylation and glucuronidation were the main metabolic pathways in rats and pigs, whereas acetylation and sulfation were the major metabolic pathways in chickens, which indicated interspecies variations in drug metabolism and elimination. With the accurate mass data and the characteristic MS(n) product ions, we identified six metabolites in which tizoxanide and hydroxylated tizoxanide were phase I metabolites and tizoxanide glucuronide, tizoxanide glucose, tizoxanide sulfate and hydroxyl tizoxanide sulfate were phase II metabolites. Hydroxylated tizoxanide and tizoxanide glucose were identified for the first time. All the comprehensive data were provided to make out the metabolism of NTZ in rats, pigs and chickens more clearly. Copyright © 2015 Elsevier B.V. All rights reserved.

Determination of Oxidized Phosphatidylcholines by Hydrophilic Interaction Liquid Chromatography Coupled to Fourier Transform Mass Spectrometry

Directory of Open Access Journals (Sweden)

Pia Sala

2015-04-01

Full Text Available A novel liquid chromatography-mass spectrometry (LC-MS approach for analysis of oxidized phosphatidylcholines by an Orbitrap Fourier Transform mass spectrometer in positive electrospray ionization (ESI coupled to hydrophilic interaction liquid chromatography (HILIC was developed. This method depends on three selectivity criteria for separation and identification: retention time, exact mass at a resolution of 100,000 and collision induced dissociation (CID fragment spectra in a linear ion trap. The process of chromatography development showed the best separation properties with a silica-based Kinetex column. This type of chromatography was able to separate all major lipid classes expected in mammalian samples, yielding increased sensitivity of oxidized phosphatidylcholines over reversed phase chromatography. Identification of molecular species was achieved by exact mass on intact molecular ions and CID tandem mass spectra containing characteristic fragments. Due to a lack of commercially available standards, method development was performed with copper induced oxidation products of palmitoyl-arachidonoyl-phosphatidylcholine, which resulted in a plethora of lipid species oxidized at the arachidonoyl moiety. Validation of the method was done with copper oxidized human low-density lipoprotein (LDL prepared by ultracentrifugation. In these LDL samples we could identify 46 oxidized molecular phosphatidylcholine species out of 99 possible candidates.

Characterization of phenolic amides from cortex lycii by ultra high-performance liquid chromatography coupled with LTQ-Orbitrap mass spectrometry

Science.gov (United States)

High performance liquid chromatography (UPLC) and flow injection electrospray ionization with ion trap mass spectrometry (FIMS) fingerprints combined with the principal component analysis (PCA) were examined for their potential in differentiating commercial organic and conventional sage samples. The...

Comparative urine analysis by liquid chromatography-mass spectrometry and multivariate statistics : Method development, evaluation, and application to proteinuria

NARCIS (Netherlands)

Kemperman, Ramses F. J.; Horvatovich, Peter L.; Hoekman, Berend; Reijmers, Theo H.; Muskiet, Frits A. J.; Bischoff, Rainer

2007-01-01

We describe a platform for the comparative profiling of urine using reversed-phase liquid chromatography-mass spectrometry (LC-MS) and multivariate statistical data analysis. Urinary compounds were separated by gradient elution and subsequently detected by electrospray Ion-Trap MS. The lower limit

Ion Chromatography-on-a-chip for Water Quality Analysis

Science.gov (United States)

Kidd, R. D.; Noell, A.; Kazarians, G.; Aubrey, A. D.; Scianmarello, N.; Tai, Y.-C.

2015-01-01

We report progress towards developing a Micro-Electro-Mechanical Systems (MEMS)- based ion chromatograph (IC) for crewed spacecraft water analysis. This IC-chip is an offshoot of a NASA-funded effort to produce a high performance liquid chromatograph (HPLC)-chip. This HPLC-chip system would require a desalting (i.e. ion chromatography) step. The complete HPLC instrument consists of the Jet Propulsion Labortory's (JPL's) quadrupole ion trap mass spectrometer integrated with a state-of-the-art MEMS liquid chromatograph (LC) system developed by the California Institute of Technology's (Caltech's) Micromachining Laboratory. The IC version of the chip consist of an electrolysis-based injector, a separation column, two electrolysis pumps for gradient generation, mixer, and a built-in conductivity detector. The HPLC version of the chip also includes a nanospray tip. The low instrument mass, coupled with its high analytical capabilities, makes the LC chip ideally suitable for wide range of applications such as trace contaminant, inorganic analytical science and, when coupled to a mass spectrometer, a macromolecular detection system for either crewed space exploration vehicles or robotic planetary missions.

Quantification of prominent volatile compounds responsible for muskmelon and watermelon aroma by purge and trap extraction followed by gas chromatography-mass spectrometry determination.

Science.gov (United States)

Fredes, Alejandro; Sales, Carlos; Barreda, Mercedes; Valcárcel, Mercedes; Roselló, Salvador; Beltrán, Joaquim

2016-01-01

A dynamic headspace purge-and-trap (DHS-P&T) methodology for the determination and quantification of 61 volatile compounds responsible for muskmelon and watermelon aroma has been developed and validated. The methodology is based on the application of purge-and-trap extraction followed by gas chromatography coupled to (ion trap) mass spectrometry detection. For this purpose two different P&T sorbent cartridges have been evaluated. The influence of different extraction factors (sample weight, extraction time, and purge flow) on extraction efficiency has been studied and optimised using response surface methodology. Precision, expressed as repeatability, has been evaluated by analysing six replicates of real samples, showing relative standard deviations between 3% and 27%. Linearity has been studied in the range of 10-6130 ng mL(-1) depending on the compound response, showing coefficients of correlation between 0.995 and 0.999. Detection limits ranged between 0.1 and 274 ng g(-1). The methodology developed is well suited for analysis of large numbers of muskmelon and watermelon samples in plant breeding programs. Copyright © 2015 Elsevier Ltd. All rights reserved.

High-Performance Liquid Chromatography with Diode Array Detector and Electrospray Ionization Ion Trap Time-of-Flight Tandem Mass Spectrometry to Evaluate Ginseng Roots and Rhizomes from Different Regions.

Science.gov (United States)

Wang, Hong-Ping; Zhang, You-Bo; Yang, Xiu-Wei; Yang, Xin-Bao; Xu, Wei; Xu, Feng; Cai, Shao-Qing; Wang, Ying-Ping; Xu, Yong-Hua; Zhang, Lian-Xue

2016-05-09

Ginseng, Panax ginseng C. A. Meyer, is an industrial crop in China and Korea. The functional components in ginseng roots and rhizomes are characteristic ginsenosides. This work developed a new high-performance liquid chromatography coupled with electrospray ionization ion trap time-of-flight multistage mass spectrometry (LC-ESI-IT-TOF-MS(n)) method to identify the triterpenoids. Sixty compounds (1-60) including 58 triterpenoids were identified from the ginseng cultivated in China. Substances 1, 2, 7, 15-20, 35, 39, 45-47, 49, 55-57, 59, and 60 were identified for the first time. To evaluate the quality of ginseng cultivated in Northeast China, this paper developed a practical liquid chromatography-diode array detection (LC-DAD) method to simultaneously quantify 14 interesting ginsenosides in ginseng collected from 66 different producing areas for the first time. The results showed the quality of ginseng roots and rhizomes from different sources was different due to growing environment, cultivation technology, and so on. The developed LC-ESI-IT-TOF-MS(n) method can be used to identify many more ginsenosides and the LC-DAD method can be used not only to assess the quality of ginseng, but also to optimize the cultivation conditions for the production of ginsenosides.

Chemical Mass Shifts in a Digital Linear Ion Trap as Analytical Identity of o-, m-, and p-Xylene

Science.gov (United States)

Sun, Lulu; Xue, Bing; Huang, Zhengxu; Cheng, Ping; Ma, Li; Ding, Li; Zhou, Zhen

2018-04-01

Chemical mass shifts between isomeric ions of o-, m-, and p-xylene were measured using a digital linear ion trap, and the directions and values of the shifts were found to be correlated to the collision cross sections of the isomers. Both forward and reverse scans were used and the chemical shifts for each pair of isomers in scans of opposite directions were in opposite signs. Using different voltage settings (namely the voltage dividing ratio-VDR) of the ion trap allows adding high order field components in the quadrupole field and results in larger chemical mass shifts. The differential chemical mass shift which combined the shifts from forward and reverse scans doubled the amount of chemical shift, e.g., 0.077 Th between o- and p-xylene, enough for identification of the type of isomer without using an additional ion mobility spectrometer. The feature of equal and opposite chemical mass shifts also allowed to null out the chemical mass shift by calculating the mean m/z value between the two opposite scans and remove or reduce the mass error caused by chemical mass shift. [Figure not available: see fulltext.

Chemical Mass Shifts in a Digital Linear Ion Trap as Analytical Identity of o-, m-, and p-Xylene.

Science.gov (United States)

Sun, Lulu; Xue, Bing; Huang, Zhengxu; Cheng, Ping; Ma, Li; Ding, Li; Zhou, Zhen

2018-07-01

Chemical mass shifts between isomeric ions of o-, m-, and p-xylene were measured using a digital linear ion trap, and the directions and values of the shifts were found to be correlated to the collision cross sections of the isomers. Both forward and reverse scans were used and the chemical shifts for each pair of isomers in scans of opposite directions were in opposite signs. Using different voltage settings (namely the voltage dividing ratio-VDR) of the ion trap allows adding high order field components in the quadrupole field and results in larger chemical mass shifts. The differential chemical mass shift which combined the shifts from forward and reverse scans doubled the amount of chemical shift, e.g., 0.077 Th between o- and p-xylene, enough for identification of the type of isomer without using an additional ion mobility spectrometer. The feature of equal and opposite chemical mass shifts also allowed to null out the chemical mass shift by calculating the mean m/z value between the two opposite scans and remove or reduce the mass error caused by chemical mass shift. Graphical Abstract ᅟ.

UV Photodissociation Action Spectroscopy of Haloanilinium Ions in a Linear Quadrupole Ion Trap Mass Spectrometer

Science.gov (United States)

Hansen, Christopher S.; Kirk, Benjamin B.; Blanksby, Stephen J.; O'Hair, Richard. A. J.; Trevitt, Adam J.

2013-06-01

UV-vis photodissociation action spectroscopy is becoming increasingly prevalent because of advances in, and commercial availability of, ion trapping technologies and tunable laser sources. This study outlines in detail an instrumental arrangement, combining a commercial ion-trap mass spectrometer and tunable nanosecond pulsed laser source, for performing fully automated photodissociation action spectroscopy on gas-phase ions. The components of the instrumentation are outlined, including the optical and electronic interfacing, in addition to the control software for automating the experiment and performing online analysis of the spectra. To demonstrate the utility of this ensemble, the photodissociation action spectra of 4-chloroanilinium, 4-bromoanilinium, and 4-iodoanilinium cations are presented and discussed. Multiple photoproducts are detected in each case and the photoproduct yields are followed as a function of laser wavelength. It is shown that the wavelength-dependent partitioning of the halide loss, H loss, and NH3 loss channels can be broadly rationalized in terms of the relative carbon-halide bond dissociation energies and processes of energy redistribution. The photodissociation action spectrum of (phenyl)Ag2 + is compared with a literature spectrum as a further benchmark.

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

Directory of Open Access Journals (Sweden)

Jifeng Gu

2018-04-01

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

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.

Science.gov (United States)

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

2018-04-11

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

Isocratic Solid Phase Extraction-Liquid Chromatography (SPE-LC) Interfaced to High-Performance Tandem Mass Spectrometry for Rapid Protein Identification

DEFF Research Database (Denmark)

Hørning, Ole B; Kjeldsen, Frank; Theodorsen, Søren

2008-01-01

the isocratic solid phase extraction-liquid chromatography (SPE-LC) technology for rapid separation ( approximately 8 min) of simple peptide samples. We now extend these studies to demonstrate the potential of SPE-LC separation in combination with a hybrid linear ion trap-Orbitrap tandem mass spectrometer...

Analysis of a variety of inorganic and organic additives in food products by ion-pairing liquid chromatography coupled to high-resolution mass spectrometry.

Science.gov (United States)

Kaufmann, Anton; Widmer, Mirjam; Maden, Kathryn; Butcher, Patrick; Walker, Stephan

2018-03-05

A reversed-phase ion-pairing chromatographic method was developed for the detection and quantification of inorganic and organic anionic food additives. A single-stage high-resolution mass spectrometer (orbitrap ion trap, Orbitrap) was used to detect the accurate masses of the unfragmented analyte ions. The developed ion-pairing chromatography method was based on a dibutylamine/hexafluoro-2-propanol buffer. Dibutylamine can be charged to serve as a chromatographic ion-pairing agent. This ensures sufficient retention of inorganic and organic anions. Yet, unlike quaternary amines, it can be de-charged in the electrospray to prevent the formation of neutral analyte ion-pairing agent adducts. This process is significantly facilitated by the added hexafluoro-2-propanol. This approach permits the sensitive detection and quantification of additives like nitrate and mono-, di-, and triphosphate as well as citric acid, a number of artificial sweeteners like cyclamate and aspartame, flavor enhancers like glutamate, and preservatives like sorbic acid. This is a major advantage, since the currently used analytical methods as utilized in food safety laboratories are only capable in monitoring a few compounds or a particular category of food additives. Graphical abstract Deptotonation of ion pair agent in the electrospray interface.

Performance of the linear ion trap Orbitrap mass analyzer for qualitative and quantitative analysis of drugs of abuse and relevant metabolites in sewage water.

Science.gov (United States)

Bijlsma, Lubertus; Emke, Erik; Hernández, Félix; de Voogt, Pim

2013-03-20

This work illustrates the potential of liquid chromatography coupled to a hybrid linear ion trap Fourier Transform Orbitrap mass spectrometer for the simultaneous identification and quantification of 24 drugs of abuse and relevant metabolites in sewage water. The developed methodology consisted of automatic solid-phase extraction using Oasis HLB cartridges, chromatographic separation of the targeted drugs, full-scan accurate mass data acquisition under positive electrospray ionization mode over an m/z range of 50-600Da at a resolution of 30,000 FWHM and simultaneous MS(n) measurements to obtain information of fragment ions generated in the linear ion trap. Accurate mass of the protonated molecule, together with at least one nominal mass product ion and retention time allowed the confident identification of the compounds detected in these complex matrices. In addition to the highly reliable qualitative analysis, Orbitrap analyzer also proved to have satisfactory potential for quantification at sub-ppb analyte levels, a possibility that has been very little explored in the literature until now. The limits of quantification ranged from 4 to 68ngL(-1) in influent sewage water, and from 2 to 35ngL(-1) in effluent, with the exception of MDA, morphine and THC that presented higher values as a consequence of the high ionization suppression in this type of samples. Satisfactory recoveries (70-120%) and precision (abuse could be identified and quantified, mainly MDMA, benzoylecgonine, codeine, oxazepam and temazepam. Orbitrap also showed potential for retrospective investigation of ketamine metabolites in the samples without the need of additional analysis. Copyright © 2013 Elsevier B.V. All rights reserved.

Application of liquid chromatography/electrospray ionization ion trap tandem mass spectrometry for the evaluation of global nucleic acids: methylation in garden cress under exposure to CuO nanoparticles.

Science.gov (United States)

Alcazar Magana, Armando; Wrobel, Kazimierz; Corrales Escobosa, Alma Rosa; Wrobel, Katarzyna

2016-01-15

A full understanding of the biological impact of nanomaterials demands analytical procedures suitable for the detection/quantification of epigenetic changes that occur in the exposed organisms. Here, the effect of CuO nanoparticles (NPs) on global methylation of nucleic acids in Lepidium sativum was evaluated by liquid chromatography/ion trap mass spectrometry. Enhanced selectivity toward cytosine-containing nucleosides was achieved by using their proton-bound dimers formed in positive electrospray ionization (ESI(+)) as precursor ions for multiple reaction monitoring (MRM) quantification based on one or two ion transitions. Plants were exposed to CuO NPs (0-1000 mg L(-1)); nucleic acid extracts were washed with bathocuproine disulfate; nucleosides were separated on a Luna C18 column coupled via ESI(+) to an AmaZon SL mass spectrometer (Bruker Daltonics). Cytidine, 2´-deoxycytidine, 5-methylcytidine, 5-methyl-2´-deoxycytidine and 5-hydroxymethyl-2´-deoxycytidine were quantified by MRM based on MS(3) ([2M+H](+)/[M+H](+)/[M+H-132](+) or [M+H-116](+)) and MS(2) ([2M+H](+)/[M+H](+) ). Bathocuproine disulfate, added as Cu(I) complexing agent, allowed for elimination of [2M+Cu](+) adducts from the mass spectra. Poorer instrumental detection limits were obtained for MS(3) (20-120 fmol) as compared to MS(2) (9.0-41 fmol); however, two ion transitions helped to eliminate matrix effects in plant extracts. The procedure was tested by analyzing salmon sperm DNA (Sigma) and applied for the evaluation of DNA and RNA methylation in plants; in the absence of NPs, 13.03% and 0.92% methylated cytosines were found in DNA and RNA, respectively; for NPs concentration >50 mg L(-1), DNA hypomethylation was observed with respect to unexposed plants. RNA methylation did not present significant changes upon plant exposure; 5-hydroxymethyl-2´-deoxycytidine was not detected in any sample. The MRM quantification proposed here of cytosine-containing nucleosides using their proton-bound homo

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

Science.gov (United States)

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

2017-08-01

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

Isobar Separation in a Multiple-Reflection Time-of-Flight Mass Spectrometer by Mass-Selective Re-Trapping

Science.gov (United States)

Dickel, Timo; Plaß, Wolfgang R.; Lippert, Wayne; Lang, Johannes; Yavor, Mikhail I.; Geissel, Hans; Scheidenberger, Christoph

2017-06-01

A novel method for (ultra-)high-resolution spatial mass separation in time-of-flight mass spectrometers is presented. Ions are injected into a time-of-flight analyzer from a radio frequency (rf) trap, dispersed in time-of-flight according to their mass-to-charge ratios and then re-trapped dynamically in the same rf trap. This re-trapping technique is highly mass-selective and after sufficiently long flight times can provide even isobaric separation. A theoretical treatment of the method is presented and the conditions for optimum performance of the method are derived. The method has been implemented in a multiple-reflection time-of-flight mass spectrometer and mass separation powers (FWHM) in excess of 70,000, and re-trapping efficiencies of up to 35% have been obtained for the protonated molecular ion of caffeine. The isobars glutamine and lysine (relative mass difference of 1/4000) have been separated after a flight time of 0.2 ms only. Higher mass separation powers can be achieved using longer flight times. The method will have important applications, including isobar separation in nuclear physics and (ultra-)high-resolution precursor ion selection in multiple-stage tandem mass spectrometry. [Figure not available: see fulltext.

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

Approach to the study of flavone di-C-glycosides by high performance liquid chromatography-tandem ion trap mass spectrometry and its application to characterization of flavonoid composition in Viola yedoensis.

Science.gov (United States)

Cao, Jie; Yin, Chengle; Qin, Yan; Cheng, Zhihong; Chen, Daofeng

2014-10-01

The mass spectrometric (MS) analysis of flavone di-C-glycosides has been a difficult task due to pure standards being unavailable commercially and to that the reported relative intensities of some diagnostic ions varied with MS instruments. In this study, five flavone di-C-glycoside standards from Viola yedoensis have been systematically studied by high performance liquid chromatography-electrospray ionization-tandem ion trap mass spectrometry (HPLC-ESI-IT-MS(n)) in the negative ion mode to analyze their fragmentation patterns. A new MS(2) and MS(3) hierarchical fragmentation for the identification of the sugar nature (hexoses or pentoses) at C-6 and C-8 is presented based on previously established rules of fragmentation. Here, for the first time, we report that the MS(2) and MS(3) structure-diagnostic fragments about the glycosylation types and positions are highly dependent on the configuration of the sugars at C-6 and C-8. The base peak ((0,2) X1 (0,2) X(2)(-) ion) in MS(3) spectra of di-C-glycosides could be used as a diagnostic ion for flavone aglycones. These newly proposed fragmentation behaviors have been successfully applied to the characterization of flavone di-C-glycosides found in V. yedoensis. A total of 35 flavonoid glycosides, including 1 flavone mono-C-hexoside, 2 flavone 6,8-di-C-hexosides, 11 flavone 6,8-di-C-pentosides, 13 flavone 6,8-C-hexosyl-C-pentosides, 5 acetylated flavone C-glycosides and 3 flavonol O-glycosides, were identified or tentatively identified on the base of their UV profiles, MS and MS(n) (n = 5) data, or by comparing with reference substances. Among these, the acetylated flavone C-glycosides were reported from V. yedoensis for the first time. Copyright © 2014 John Wiley & Sons, Ltd.

Ultrahigh-performance liquid chromatography-ion trap mass spectrometry characterization of the steroidal saponins of Dioscorea panthaica Prain et Burkill and its application for accelerating the isolation and structural elucidation of steroidal saponins.

Science.gov (United States)

Wang, Weihao; Zhao, Ye; Jing, Wenguang; Zhang, Jun; Xiao, Hui; Zha, Qin; Liu, An

2015-03-01

Dioscorea panthaica is a traditional Chinese medicinal herb used in the treatment of various physiological conditions, including cardiovascular disease, gastropathy and hypertension. Steroidal saponins (SS) are the main active ingredients of this herb and have effects on myocardial ischemia and cancer. The phytochemical evaluation of SS is both time-consuming and laborious, and the isolation and structural determination steps can be especially demanding. For this reason, the development of new methods to accelerate the processes involved in the identification, isolation and structural elucidation of SS is highly desirable. In this study, a new ultrahigh performance liquid chromatography-ion trap mass spectrometry (UHPLC-IT/MS(n)) method has been developed for the identification of the SS in D. panthaica Prain et Burkill. Notably, the current method can distinguish between spirostanol and furostanol-type compounds based on the fragmentation patterns observed by electrospray ionization-ion trap mass spectrometry (ESI-IT/MS(n)) analysis. UHPLC-IT/MS(n) was used to conduct a detailed investigation of the number, structural class and order of the sugar moieties in the sugar chains of the SS present in D. panthaica. The established fragmentation features were used to analyze the compounds found in the 65% ethanol fraction of the water extracts of D. panthaica. Twenty-three SS were identified, including 11 potential new compounds and six groups of isomers. Two of these newly identified SS were selected as representative examples, and their chemical structures were confirmed by (1)H and (13)C NMR analyses. This newly developed UHPLC-IT/MS(n) method therefore allowed for the efficient identification, isolation and structural determination of the SS in D. panthaica. Copyright © 2015 Elsevier Inc. All rights reserved.

Cryogenic surface ion traps

International Nuclear Information System (INIS)

Niedermayr, M.

2015-01-01

Microfabricated surface traps are a promising architecture to realize a scalable quantum computer based on trapped ions. In principle, hundreds or thousands of surface traps can be located on a single substrate in order to provide large arrays of interacting ions. To this end, trap designs and fabrication methods are required that provide scalable, stable and reproducible ion traps. This work presents a novel surface-trap design developed for cryogenic applications. Intrinsic silicon is used as the substrate material of the traps. The well-developed microfabrication and structuring methods of silicon are utilized to create simple and reproducible traps. The traps were tested and characterized in a cryogenic setup. Ions could be trapped and their life time and motional heating were investigated. Long ion lifetimes of several hours were observed and the measured heating rates were reproducibly low at around 1 phonon per second at a trap frequency of 1 MHz. (author) [de

Simultaneous quantitative analysis of metabolites using ion-pair liquid chromatography-electrospray ionization mass spectrometry

NARCIS (Netherlands)

Coulier, L.; Bas, R.; Jespersen, S.; Verheij, E.; Werf, M.J. van der; Hankemeier, T.

2006-01-01

We have developed an analytical method, consisting of ion-pair liquid chromatography coupled to electrospray ionization mass spectrometry (IP-LC-ESI-MS), for the simultaneous quantitative analysis of several key classes of polar metabolites, like nucleotides, coenzyme A esters, sugar nucleotides,

The construction of TRIGA-TRAP and direct high-precision Penning trap mass measurements on rare-earth elements and americium

Energy Technology Data Exchange (ETDEWEB)

Ketelaer, Jens

2010-06-14

The construction of TRIGA-TRAP and direct high-precision Penning trap mass measurements on rare-earth elements and americium: Nuclear masses are an important quantity to study nuclear structure since they reflect the sum of all nucleonic interactions. Many experimental possibilities exist to precisely measure masses, out of which the Penning trap is the tool to reach the highest precision. Moreover, absolute mass measurements can be performed using carbon, the atomic-mass standard, as a reference. The new double-Penning trap mass spectrometer TRIGA-TRAP has been installed and commissioned within this thesis work, which is the very first experimental setup of this kind located at a nuclear reactor. New technical developments have been carried out such as a reliable non-resonant laser ablation ion source for the production of carbon cluster ions and are still continued, like a non-destructive ion detection technique for single-ion measurements. Neutron-rich fission products will be available by the reactor that are important for nuclear astrophysics, especially the r-process. Prior to the on-line coupling to the reactor, TRIGA-TRAP already performed off-line mass measurements on stable and long-lived isotopes and will continue this program. The main focus within this thesis was on certain rare-earth nuclides in the well-established region of deformation around N {proportional_to} 90. Another field of interest are mass measurements on actinoids to test mass models and to provide direct links to the mass standard. Within this thesis, the mass of {sup 241}Am could be measured directly for the first time. (orig.)

The construction of TRIGA-TRAP and direct high-precision Penning trap mass measurements on rare-earth elements and americium

International Nuclear Information System (INIS)

Ketelaer, Jens

2010-01-01

The construction of TRIGA-TRAP and direct high-precision Penning trap mass measurements on rare-earth elements and americium: Nuclear masses are an important quantity to study nuclear structure since they reflect the sum of all nucleonic interactions. Many experimental possibilities exist to precisely measure masses, out of which the Penning trap is the tool to reach the highest precision. Moreover, absolute mass measurements can be performed using carbon, the atomic-mass standard, as a reference. The new double-Penning trap mass spectrometer TRIGA-TRAP has been installed and commissioned within this thesis work, which is the very first experimental setup of this kind located at a nuclear reactor. New technical developments have been carried out such as a reliable non-resonant laser ablation ion source for the production of carbon cluster ions and are still continued, like a non-destructive ion detection technique for single-ion measurements. Neutron-rich fission products will be available by the reactor that are important for nuclear astrophysics, especially the r-process. Prior to the on-line coupling to the reactor, TRIGA-TRAP already performed off-line mass measurements on stable and long-lived isotopes and will continue this program. The main focus within this thesis was on certain rare-earth nuclides in the well-established region of deformation around N ∝ 90. Another field of interest are mass measurements on actinoids to test mass models and to provide direct links to the mass standard. Within this thesis, the mass of 241 Am could be measured directly for the first time. (orig.)

Profiling and identification of (-)-epicatechin metabolites in rats using ultra-high performance liquid chromatography coupled with linear trap-Orbitrap mass spectrometer.

Science.gov (United States)

Shang, Zhanpeng; Wang, Fei; Dai, Shengyun; Lu, Jianqiu; Wu, Xiaodan; Zhang, Jiayu

2017-08-01

(-)-Epicatechin (EC), an optical antipode of (+)-catechin (C), possesses many potential significant health benefits. However, the in vivo metabolic pathway of EC has not been clarified yet. In this study, an efficient strategy based on ultra-high performance liquid chromatography coupled with a linear ion trap-Orbitrap mass spectrometer was developed to profile and characterize EC metabolites in rat urine, faeces, plasma, and various tissues. Meanwhile, post-acquisition data-mining methods including high-resolution extracted ion chromatogram (HREIC), multiple mass defect filters (MMDFs), and diagnostic product ions (DPIs) were utilized to screen and identify EC metabolites from HR-ESI-MS 1 to ESI-MS n stage. Finally, a total of 67 metabolites (including parent drug) were tentatively identified based on standard substances, chromatographic retention times, accurate mass measurement, and relevant drug biotransformation knowledge. The results demonstrated that EC underwent multiple in vivo metabolic reactions including methylation, dehydration, hydrogenation, glucosylation, sulfonation, glucuronidation, ring-cleavage, and their composite reactions. Among them, methylation, dehydration, glucosylation, and their composite reactions were observed only occurring on EC when compared with C. Meanwhile, the distribution of these detected metabolites in various tissues including heart, liver, spleen, lung, kidney, and brain were respectively studied. The results demonstrated that liver and kidney were the most important organs for EC and its metabolites elimination. In conclusion, the newly discovered EC metabolites significantly expanded the understanding on its pharmacological effects and built the foundation for further toxicity and safety studies. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

In-depth study of in-trap high-resolution mass separation by transversal ion ejection from a multi-reflection time-of-flight device.

Science.gov (United States)

Fischer, Paul; Knauer, Stefan; Marx, Gerrit; Schweikhard, Lutz

2018-01-01

The recently introduced method of ion separation by transversal ejection of unwanted species in electrostatic ion-beam traps and multi-reflection time-of-flight devices has been further studied in detail. As this separation is performed during the ion storage itself, there is no need for additional external devices such as ion gates or traps for either pre- or postselection of the ions of interest. The ejection of unwanted contaminant ions is performed by appropriate pulses of the potentials of deflector electrodes. These segmented ring electrodes are located off-center in the trap, i.e., between one of the two ion mirrors and the central drift tube, which also serves as a potential lift for capturing incoming ions and axially ejecting ions of interest after their selection. The various parameters affecting the selection effectivity and resolving power are illustrated with tin-cluster measurements, where isotopologue ion species provide mass differences down to a single atomic mass unit at ion masses of several hundred. Symmetric deflection voltages of only 10 V were found sufficient for the transversal ejection of ion species with as few as three deflection pulses. The duty cycle, i.e., the pulse duration with respect to the period of ion revolution, has been varied, resulting in resolving powers of up to several tens of thousands for this selection technique.

Development of a method for comprehensive and quantitative analysis of plant hormones by highly sensitive nanoflow liquid chromatography-electrospray ionization-ion trap mass spectrometry

International Nuclear Information System (INIS)

Izumi, Yoshihiro; Okazawa, Atsushi; Bamba, Takeshi; Kobayashi, Akio; Fukusaki, Eiichiro

2009-01-01

In recent plant hormone research, there is an increased demand for a highly sensitive and comprehensive analytical approach to elucidate the hormonal signaling networks, functions, and dynamics. We have demonstrated the high sensitivity of a comprehensive and quantitative analytical method developed with nanoflow liquid chromatography-electrospray ionization-ion trap mass spectrometry (LC-ESI-IT-MS/MS) under multiple-reaction monitoring (MRM) in plant hormone profiling. Unlabeled and deuterium-labeled isotopomers of four classes of plant hormones and their derivatives, auxins, cytokinins (CK), abscisic acid (ABA), and gibberellins (GA), were analyzed by this method. The optimized nanoflow-LC-ESI-IT-MS/MS method showed ca. 5-10-fold greater sensitivity than capillary-LC-ESI-IT-MS/MS, and the detection limits (S/N = 3) of several plant hormones were in the sub-fmol range. The results showed excellent linearity (R 2 values of 0.9937-1.0000) and reproducibility of elution times (relative standard deviations, RSDs, <1.1%) and peak areas (RSDs, <10.7%) for all target compounds. Further, sample purification using Oasis HLB and Oasis MCX cartridges significantly decreased the ion-suppressing effects of biological matrix as compared to the purification using only Oasis HLB cartridge. The optimized nanoflow-LC-ESI-IT-MS/MS method was successfully used to analyze endogenous plant hormones in Arabidopsis and tobacco samples. The samples used in this analysis were extracted from only 17 tobacco dry seeds (1 mg DW), indicating that the efficiency of analysis of endogenous plant hormones strongly depends on the detection sensitivity of the method. Our analytical approach will be useful for in-depth studies on complex plant hormonal metabolism.

Development of a method for comprehensive and quantitative analysis of plant hormones by highly sensitive nanoflow liquid chromatography-electrospray ionization-ion trap mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Izumi, Yoshihiro; Okazawa, Atsushi; Bamba, Takeshi; Kobayashi, Akio [Department of Biotechnology, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan); Fukusaki, Eiichiro, E-mail: fukusaki@bio.eng.osaka-u.ac.jp [Department of Biotechnology, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan)

2009-08-26

In recent plant hormone research, there is an increased demand for a highly sensitive and comprehensive analytical approach to elucidate the hormonal signaling networks, functions, and dynamics. We have demonstrated the high sensitivity of a comprehensive and quantitative analytical method developed with nanoflow liquid chromatography-electrospray ionization-ion trap mass spectrometry (LC-ESI-IT-MS/MS) under multiple-reaction monitoring (MRM) in plant hormone profiling. Unlabeled and deuterium-labeled isotopomers of four classes of plant hormones and their derivatives, auxins, cytokinins (CK), abscisic acid (ABA), and gibberellins (GA), were analyzed by this method. The optimized nanoflow-LC-ESI-IT-MS/MS method showed ca. 5-10-fold greater sensitivity than capillary-LC-ESI-IT-MS/MS, and the detection limits (S/N = 3) of several plant hormones were in the sub-fmol range. The results showed excellent linearity (R{sup 2} values of 0.9937-1.0000) and reproducibility of elution times (relative standard deviations, RSDs, <1.1%) and peak areas (RSDs, <10.7%) for all target compounds. Further, sample purification using Oasis HLB and Oasis MCX cartridges significantly decreased the ion-suppressing effects of biological matrix as compared to the purification using only Oasis HLB cartridge. The optimized nanoflow-LC-ESI-IT-MS/MS method was successfully used to analyze endogenous plant hormones in Arabidopsis and tobacco samples. The samples used in this analysis were extracted from only 17 tobacco dry seeds (1 mg DW), indicating that the efficiency of analysis of endogenous plant hormones strongly depends on the detection sensitivity of the method. Our analytical approach will be useful for in-depth studies on complex plant hormonal metabolism.

Advanced Quadrupole Ion Trap Instrumentation for Low Level Vehicle Emissions Measurements

International Nuclear Information System (INIS)

McLuckey, S.A.

1997-01-01

Quadrupole ion trap mass spectrometry has been evaluated for its potential use in vehicle emissions measurements in vehicle test facilities as an analyzer for the top 15 compounds contributing to smog generation. A variety of ionization methods were explored including ion trap in situ chemical ionization, atmospheric sampling glow discharge ionization, and nitric oxide chemical ionization in a glow discharge ionization source coupled with anion trap mass spectrometer. Emphasis was placed on the determination of hydrocarbons and oxygenated hydrocarbons at parts per million to parts per billion levels. Ion trap in situ water chemical ionization and atmospheric sampling glow discharge ionization were both shown to be amendable to the analysis of arenes, alcohols, aldehydes and, to some degree, alkenes. Atmospheric sampling glow discharge also generated molecular ions of methy-t-butyl ether (MTBE). Neither of these ionization methods, however, were found to generate diagnostic ions for the alkanes. Nitric oxide chemical ionization, on the other hand, was found to yield diagnostic ions for alkanes, alkenes, arenes, alcohols, aldehydes, and MTBE. The ability to measure a variety of hydrocarbons present at roughly 15 parts per billion at measurement rates of 3 Hz was demonstrated. All of the ions with potential to serve as parent ions in a tandem mass spectrometry experiment were found to yield parent-to-product conversion efficiencies greater than 75%. The flexibility afforded to the ion trap by use of tailored wave-forms applied to the end-caps allows parallel monitoring schemes to be devised that provide many of the advantages of tandem mass spectrometry without major loss in measurement rate. A large loss in measurement rate would ordinarily result from the use of conventional tandem mass spectrometry experiments carried out in series for a large number of targeted components. These results have demonstrated that the ion trap has an excellent combination of

Determination of eugenol in rat plasma by liquid chromatography-quadrupole ion trap mass spectrometry using a simple off-line dansyl chloride derivatization reaction to enhance signal intensity.

Science.gov (United States)

Beaudry, Francis; Guénette, Sarah Annie; Vachon, Pascal

2006-11-01

A rapid, selective and sensitive method was developed for the determination of eugenol concentration using an off-line dansyl chloride derivatization step to enhance signal intensity. The method consisted of a protein precipitation extraction followed by derivatization with dansyl chloride and analysis by full scan liquid chromatography electrospray quadrupole ion trap mass spectrometry (LC-ESI-QIT). The separation was achieved using a 100 x 2 mm C(8) analytical column combined with an isocratic mobile phase composed of 75:25 acetonitrile: 0.1% formic acid in water set at a flow rate of 0.25 mL/min. Signal intensity of the eugenol-dansyl chloride derivative was increased up to 100-fold as compared with the underivatized eugenol in positive electrospray mode. An analytical range of 100-20,000 ng/mL was used in the calibration curve of plasma and blood samples. The LOD observed was 0.5 pg injected on column. The novel method met all requirements of specificity, sensitivity, linearity, precision, accuracy and stability. In conclusion, a rapid and sensitive LC-ESI/MS/MS method using a derivatization agent was developed to enhance signal intensity of eugenol. Copyright (c) 2006 John Wiley & Sons, Ltd.

Atomic and nuclear physics with stored particles in ion traps

CERN Document Server

Kluge, H J; Herfurth, F; Quint, W

2002-01-01

Trapping and cooling techniques play an increasingly important role in many areas of science. This review concentrates on recent applications of ion traps installed at accelerator facilities to atomic and nuclear physics such as mass spectrometry of radioactive isotopes, weak interaction studies, symmetry tests, determination of fundamental constants, laser spectroscopy, and spectroscopy of highly-charged ions. In addition, ion traps are proven to be extremely efficient devices for (radioactive) ion beam manipulation as, for example, retardation, accumulation, cooling, beam cleaning, charge-breeding, and bunching.

Precision mass measurements at THe-trap and the FSU trap

Energy Technology Data Exchange (ETDEWEB)

Hoecker, Martin Juergen

2016-07-26

THe-Trap is a Penning-trap mass spectrometer at the Max-Planck-Institute for Nuclear Physics in Heidelberg, Germany, that aims to measure the T/{sup 3}He mass ratio with a relative uncertainty of 10{sup -11}. Improvements of the measurement technique, in particular the measurement of systematic shifts, enabled measurements of mass ratios with relative uncertainties of 7.10{sup -11}, as demonstrated by a cyclotron frequency ratio determination on {sup 12}C{sup 4+}/{sup 16}O{sup 5+}. This uncertainty was limited by the lineshape. An improved theoretical model based on a rotating wave approximation can be used to describe dynamical interactions between the detection system and the ion, in order to better understand the lineshape and to further reduce the uncertainty. The Florida State University trap is a Penning-trap mass spectrometer located in Tallahassee, Florida (USA). In the context of this thesis, three mass ratios were measured, and further 20 mass ratio measurements analyzed, which resulted in the publication of the masses of {sup 82,83}Kr, {sup 131,134}Xe, {sup 86-88}Sr, and {sup 170-174,176}Yb with relative uncertainties between (0.9 - 1.3).10{sup -10}. These masses serve as reference masses for other experiments and have applications in the determination of the fine-structure constant alpha via the photon-recoil method.

Coupling an optical trap to a mass separator

Energy Technology Data Exchange (ETDEWEB)

Chamberlin, E.P.; Sandberg, V.D.; Tupa, D.; Vieira, D.J.; Zhao, X.X. [Los Alamos National Lab., NM (United States); Guckert, R.; Wollnik, H. [Los Alamos National Lab., NM (United States)]/[Giessen Univ. (Germany); Preston, D.W. [Los Alamos National Lab., NM (United States)]/[California State Univ., Hayward, CA (United States)

1996-12-31

The efficient coupling of a magneto-optical trap to a mass separator is being developed to undertake high-precision electroweak interaction measurements in a series of radioisotopes. The use of ion implantation and subsequent heated-foil release is being pursued as a suitable way of introducing radioactive samples into the ultrahigh vacuum region of an optical trap without gas loading. This paper discusses the layout of the mass separator,the coupling to a magneto- optical trap, and the implantation and release scheme.

Coupling an optical trap to a mass separator

International Nuclear Information System (INIS)

Chamberlin, E.P.; Sandberg, V.D.; Tupa, D.; Vieira, D.J.; Zhao, X.X.; Guckert, R.; Wollnik, H.; Preston, D.W.

1996-01-01

The efficient coupling of a magneto-optical trap to a mass separator is being developed to undertake high-precision electroweak interaction measurements in a series of radioisotopes. The use of ion implantation and subsequent heated-foil release is being pursued as a suitable way of introducing radioactive samples into the ultrahigh vacuum region of an optical trap without gas loading. This paper discusses the layout of the mass separator,the coupling to a magneto- optical trap, and the implantation and release scheme

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)).

Enhanced signal generation for use in the analysis of synthetic pyrethroids using chemical ionization tandem quadrupole ion trap mass spectrometry.

Science.gov (United States)

Sichilongo, Kwenga

2004-12-01

Synthetic pyrethroids fragment extensively under electron ionization (EI) conditions to give low mass ions, most of them with the same m/z ratios. This fragmentation is primarily due to the labile ester linkage found in these compounds. In this research we established the best gas chromatography (GC) conditions in the EI mode that served as a benchmark in the development of a chemical ionization (CI) protocol for ten selected synthetic pyrethroids. Based on proton affinity data, several reagent gases were evaluated in the positive CI ionization mode. Methanol was found to produce higher average ion counts relative to the other gases evaluated, which led to the development of an optimized method consisting of selective ejection chemical ionization (SECI) and MS/MS. Standard stainless steel ion trap electrodes produced significant degradation of chromatographic performance on late eluting compounds, which was attributed to electrode surface chemistry. A dramatic improvement in signal-to-noise (S/N) ratios was observed when the chromatographically inert Silcosteel coated electrodes were used. The resulting method, that has significant S/N ratio improvements resulting from a combination of septum programmable injections (SPI), optimized CI and inert Silcosteel-coated electrodes, was used to determine instrument detection limits.

METHOD AND APPARATUS FOR TRAPPING IONS IN A MAGNETIC FIELD

Science.gov (United States)

Luce, J.S.

1962-04-17

A method and apparatus are described for trapping ions within an evacuated container and within a magnetic field utilizing dissociation and/or ionization of molecular ions to form atomic ions and energetic neutral particles. The atomic ions are magnetically trapped as a result of a change of charge-to- mass ratio. The molecular ions are injected into the container and into the path of an energetic carbon arc discharge which dissociates and/or ionizes a portion of the molecular ions into atomic ions and energetic neutrals. The resulting atomic ions are trapped by the magnetic field to form a circulating beam of atomic ions, and the energetic neutrals pass out of the system and may be utilized in a particle accelerator. (AEC)

Analysis of wax esters by silver-ion high-performance liquid chromatography-tandem mass spectrometry

Czech Academy of Sciences Publication Activity Database

Vrkoslav, Vladimír; Urbanová, Klára; Háková, Martina; Cvačka, Josef

2013-01-01

Roč. 1302, Aug 9 (2013), s. 105-110 ISSN 0021-9673 R&D Projects: GA ČR GA203/09/0139 Institutional support: RVO:61388963 Keywords : jojoba * human hair * wax esters * mass spectrometry * silver-ion liquid chromatography * long-chain esters Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 4.258, year: 2013

Mats and LaSpec: High-precision experiments using ion traps and lasers at Fair

Energy Technology Data Exchange (ETDEWEB)

Rodriguez, D.; Lallena, A.M.; Blaum, K.; Bohm, C.; Cakirli, R.B.; Crespo Lopez-Urrutia, J.R.; Eliseev, S.; Ketelaer, J.; Kreim, M.S.; Kowalska, M.; Litvinov, Y.A.; Nagy, S.; Neidherr, D.; Repp, J.; Roux, C.; Schabinger, B.; Ullrich, J.; Nortershauser, W.; Eberhardt, K.; Geppert, C.; Kramer, J.; Krieger, A.; Sanchez, R.; Ahammed, M.; Das, P.; Ray, A.; Algora, A.; Rubio, B.; Tain, J.L.; Audi, G.; Lunney, D.; Naimi, S.; Aysto, J.; Jokinen, A.; Kolhinen, V.; Moore, I.; Beck, D.; Block, M.; Geissel, H.; Heinz, S.; Herfurth, F.; Litvinov, Y.A.; Minaya-Ramirez, E.; Plab, W.R.; Quint, W.; Scheidenberger, C.; Winkler, M.; Bender, M.; Billowes, J.; Campbell, P.; Flanagan, K.T.; Schwarz, S.; Bollen, G.; Ferrer, R.; George, S.; Kester, O.; Brodeur, M.; Brunner, T.; Delheij, P.; Dilling, J.; Ettenauer, S.; Lapierre, A.; Bushaw, B.A.; Cano-Ott, D.; Martinez, T.; Cortes, G.; Gomez-Hornillos, M.B.; Dax, A.; Herlert, A.; Yordanov, D.; De, A.; Dickel, T.; Geissel, H.; Jesch, C.; Kuhl, T.; Petrick, M.; PlaB, W.R.; Scheidenberger, C.; Garcia-Ramos, J.E.; Gartzke, E.; Habs, D.; Szerypo, J.; Thirolf, P.G.; Weber, C.; Gusev, Y.; Nesterenko, D.; Novikov, Y.N.; Popov, A.; Seliverstov, M.; Vasiliev, A.; Vorobjev, G.; Heenen, P.H.; Marx, G.; Schweikhard, L.; Ziegler, F.; Hobein, M.; Schuch, R.; Solders, A.; Suhonen, M.; Huber, G.; Wendt, K.; Huyse, M.; Koudriavtsev, I.; Neyens, G.; Van Duppen, P.; Le Blanc, F.; Matos, M.; Reinhard, P.G.; Schneider, D.

2010-05-15

Nuclear ground state properties including mass, charge radii, spins and moments can be determined by applying atomic physics techniques such as Penning-trap based mass spectrometry and laser spectroscopy. The MATS and LaSpec setups at the low-energy beamline at FAIR will allow us to extend the knowledge of these properties further into the region far from stability. With MATS (Precision Measurements of very short-lived nuclei using an Advanced Trapping System for highly-charged ions) at FAIR we aim to apply several techniques to very short-lived radionuclides: High-accuracy mass measurements, in-trap conversion electron and alpha spectroscopy, and trap-assisted spectroscopy. The experimental setup of MATS is a unique combination of an electron beam ion trap for charge breeding, ion traps for beam preparation, and a high-precision Penning trap system for mass measurements and decay studies. For the mass measurements, MATS offers both a high accuracy and a high sensitivity. A relative mass uncertainty of 10{sup -9} can be reached by employing highly-charged ions and a non-destructive Fourier-Transform Ion-Cyclotron-Resonance (FT-ICR) detection technique on single stored ions. Decay studies in ion traps will become possible with MATS. Laser spectroscopy of radioactive isotopes and isomers is an efficient and model-independent approach for the determination of nuclear ground and isomeric state properties. Hyperfine structures and isotope shifts in electronic transitions exhibit readily accessible information on the nuclear spin, magnetic dipole and electric quadrupole moments as well as root-mean-square charge radii. The accuracy of laser-spectroscopic-determined nuclear properties is very high while requirements concerning production rates are moderate. This Technical Design Report describes a new Penning trap mass spectrometry setup as well as a number of complementary experimental devices for laser spectroscopy. Since MATS and LaSpec require high-quality low

Mats and LaSpec: High-precision experiments using ion traps and lasers at Fair

International Nuclear Information System (INIS)

Rodriguez, D.; Lallena, A.M.; Blaum, K.; Bohm, C.; Cakirli, R.B.; Crespo Lopez-Urrutia, J.R.; Eliseev, S.; Ketelaer, J.; Kreim, M.S.; Kowalska, M.; Litvinov, Y.A.; Nagy, S.; Neidherr, D.; Repp, J.; Roux, C.; Schabinger, B.; Ullrich, J.; Nortershauser, W.; Eberhardt, K.; Geppert, C.; Kramer, J.; Krieger, A.; Sanchez, R.; Ahammed, M.; Das, P.; Ray, A.; Algora, A.; Rubio, B.; Tain, J.L.; Audi, G.; Lunney, D.; Naimi, S.; Aysto, J.; Jokinen, A.; Kolhinen, V.; Moore, I.; Beck, D.; Block, M.; Geissel, H.; Heinz, S.; Herfurth, F.; Litvinov, Y.A.; Minaya-Ramirez, E.; Plab, W.R.; Quint, W.; Scheidenberger, C.; Winkler, M.; Bender, M.; Billowes, J.; Campbell, P.; Flanagan, K.T.; Schwarz, S.; Bollen, G.; Ferrer, R.; George, S.; Kester, O.; Brodeur, M.; Brunner, T.; Delheij, P.; Dilling, J.; Ettenauer, S.; Lapierre, A.; Bushaw, B.A.; Cano-Ott, D.; Martinez, T.; Cortes, G.; Gomez-Hornillos, M.B.; Dax, A.; Herlert, A.; Yordanov, D.; De, A.; Dickel, T.; Geissel, H.; Jesch, C.; Kuhl, T.; Petrick, M.; PlaB, W.R.; Scheidenberger, C.; Garcia-Ramos, J.E.; Gartzke, E.; Habs, D.; Szerypo, J.; Thirolf, P.G.; Weber, C.; Gusev, Y.; Nesterenko, D.; Novikov, Y.N.; Popov, A.; Seliverstov, M.; Vasiliev, A.; Vorobjev, G.; Heenen, P.H.; Marx, G.; Schweikhard, L.; Ziegler, F.; Hobein, M.; Schuch, R.; Solders, A.; Suhonen, M.; Huber, G.; Wendt, K.; Huyse, M.; Koudriavtsev, I.; Neyens, G.; Van Duppen, P.; Le Blanc, F.; Matos, M.; Reinhard, P.G.; Schneider, D.

2010-01-01

Nuclear ground state properties including mass, charge radii, spins and moments can be determined by applying atomic physics techniques such as Penning-trap based mass spectrometry and laser spectroscopy. The MATS and LaSpec setups at the low-energy beamline at FAIR will allow us to extend the knowledge of these properties further into the region far from stability. With MATS (Precision Measurements of very short-lived nuclei using an Advanced Trapping System for highly-charged ions) at FAIR we aim to apply several techniques to very short-lived radionuclides: High-accuracy mass measurements, in-trap conversion electron and alpha spectroscopy, and trap-assisted spectroscopy. The experimental setup of MATS is a unique combination of an electron beam ion trap for charge breeding, ion traps for beam preparation, and a high-precision Penning trap system for mass measurements and decay studies. For the mass measurements, MATS offers both a high accuracy and a high sensitivity. A relative mass uncertainty of 10 -9 can be reached by employing highly-charged ions and a non-destructive Fourier-Transform Ion-Cyclotron-Resonance (FT-ICR) detection technique on single stored ions. Decay studies in ion traps will become possible with MATS. Laser spectroscopy of radioactive isotopes and isomers is an efficient and model-independent approach for the determination of nuclear ground and isomeric state properties. Hyperfine structures and isotope shifts in electronic transitions exhibit readily accessible information on the nuclear spin, magnetic dipole and electric quadrupole moments as well as root-mean-square charge radii. The accuracy of laser-spectroscopic-determined nuclear properties is very high while requirements concerning production rates are moderate. This Technical Design Report describes a new Penning trap mass spectrometry setup as well as a number of complementary experimental devices for laser spectroscopy. Since MATS and LaSpec require high-quality low-energy beams

Determination of glufosinate ammonium and its metabolite (AE F064619 and AE F061517) residues in water by gas chromatography with tandem mass spectrometry after ion exchange cleanup and derivatization.

Science.gov (United States)

Royer, A; Beguin, S; Sochor, H; Communal, P Y

2000-11-01

An analytical method for the determination of glufosinate ammonium and its principal metabolites, AE F064619 and AE F061517, in water of two different hardnesses (5 and 30 DH, French hardness) has been developed and validated. Samples were spiked at different levels (0. 05 and 0.5 microgram/L) and were purified by column chromatography on ion-exchange resins. After derivatization with glacial acetic acid and trimethylarthoacetate mixture, the derivatives were quantified by using capillary gas chromatography with an ion-trap tandem mass spectrometric detector. Analytical conditions for MS/MS detection were optimized, and the quantification was carried out on the areas of the most representative ions. The limit of quantification was validated at 0.05 microgram/L for each compound. The mean recovery value and the relative standard deviation (n = 20) were 92.0% and 17. 8% for glufosinate ammonium, 90.2% and 15.8% for AE F064619, and 89. 7% and 12.7% for AE F061517.

Measurement and simulation of the pressure ratio between the two traps of double Penning trap mass spectrometers

International Nuclear Information System (INIS)

Neidherr, D.; Blaum, K.; Block, M.; Ferrer, R.; Herfurth, F.; Ketelaer, J.; Nagy, Sz.; Weber, C.

2008-01-01

Penning traps are ideal tools to perform high-precision mass measurements. For this purpose the cyclotron frequency of the stored charged particles is measured. In case of on-line mass measurements of short-lived nuclides produced at radioactive beam facilities the ions get in general first prepared and cooled by buffer-gas collisions in a preparation trap to reduce their motional amplitudes and are then transported to a precision trap for the cyclotron frequency determination. In modern Penning trap mass spectrometers both traps are placed in the homogeneous region of one superconducting magnet to optimize the transport efficiency. Because the gas pressure inside the precision trap has to be very low in order to minimize the damping of the ion motion caused by collisions with rest gas molecules during the frequency determination, a pumping barrier is installed between both traps. To predict the pressure difference between the two traps in the region of molecular gas flow the motion of each particle can be simulated without consideration of the other particles. Thus, it is possible to calculate the transit probability through a tube of a given geometry. The results are compared with experimentally obtained pressure differences.

LC-IMS-MS Feature Finder: detecting multidimensional liquid chromatography, ion mobility and mass spectrometry features in complex datasets.

Science.gov (United States)

Crowell, Kevin L; Slysz, Gordon W; Baker, Erin S; LaMarche, Brian L; Monroe, Matthew E; Ibrahim, Yehia M; Payne, Samuel H; Anderson, Gordon A; Smith, Richard D

2013-11-01

The addition of ion mobility spectrometry to liquid chromatography-mass spectrometry experiments requires new, or updated, software tools to facilitate data processing. We introduce a command line software application LC-IMS-MS Feature Finder that searches for molecular ion signatures in multidimensional liquid chromatography-ion mobility spectrometry-mass spectrometry (LC-IMS-MS) data by clustering deisotoped peaks with similar monoisotopic mass, charge state, LC elution time and ion mobility drift time values. The software application includes an algorithm for detecting and quantifying co-eluting chemical species, including species that exist in multiple conformations that may have been separated in the IMS dimension. LC-IMS-MS Feature Finder is available as a command-line tool for download at http://omics.pnl.gov/software/LC-IMS-MS_Feature_Finder.php. The Microsoft.NET Framework 4.0 is required to run the software. All other dependencies are included with the software package. Usage of this software is limited to non-profit research to use (see README). rds@pnnl.gov. Supplementary data are available at Bioinformatics online.

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

Science.gov (United States)

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

2000-10-01

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

Shedding light on the mercury mass discrepancy by weighing Hg52+ ions in a Penning trap

International Nuclear Information System (INIS)

Fritioff, T.; Bluhme, H.; Schuch, R.; Bergstroem, I.; Bjoerkhage, M.

2003-01-01

In their nuclear tables Audi and Wapstra have pointed out a serious mass discrepancy between their extrapolated values for the mercury isotopes and those from a direct measurement by the Manitoba group. The values deviate by as much as 85 ppb from each other with claimed uncertainties of about 16 and 7 ppb, respectively. In order to decide which values are correct the masses of the 198 Hg and 204 Hg isotopes have been measured in the Stockholm Penning trap mass spectrometer SMILETRAP using 52+ ions. This charge state corresponds to a filled Ni electron configuration for which the electron binding energy can be accurately calculated. The mass values obtained are 197.966 768 44(43) u for 198 Hg and 203.973 494 10(39) u for 204 Hg. These values agree with those measured by the Manitoba group, with a 3 times lower uncertainty. This measurement was made possible through the implementation of a cooling technique of the highly charged mercury ions during charge breeding in the electron beam ion source used for producing the Hg 52+ ions

Determination and fingerprint analysis of steroidal saponins in roots of Liriope muscari (Decne.) L. H. Bailey by ultra high performance liquid chromatography coupled with ion trap time-of-flight mass spectrometry.

Science.gov (United States)

Li, Yong-Wei; Qi, Jin; Wen-Zhang; Zhou, Shui-Ping; Yan-Wu; Yu, Bo-Yang

2014-07-01

Liriope muscari (Decne.) L. H. Bailey is a well-known traditional Chinese medicine used for treating cough and insomnia. There are few reports on the quality evaluation of this herb partly because the major steroid saponins are not readily identified by UV detectors and are not easily isolated due to the existence of many similar isomers. In this study, a qualitative and quantitative method was developed to analyze the major components in L. muscari (Decne.) L. H. Bailey roots. Sixteen components were deduced and identified primarily by the information obtained from ultra high performance liquid chromatography with ion-trap time-of-flight mass spectrometry. The method demonstrated the desired specificity, linearity, stability, precision, and accuracy for simultaneous determination of 15 constituents (13 steroidal glycosides, 25(R)-ruscogenin, and pentylbenzoate) in 26 samples from different origins. The fingerprint was established, and the evaluation was achieved using similarity analysis and principal component analysis of 15 fingerprint peaks from 26 samples by ultra high performance liquid chromatography. The results from similarity analysis were consistent with those of principal component analysis. All results suggest that the established method could be applied effectively to the determination of multi-ingredients and fingerprint analysis of steroid saponins for quality assessment and control of L. muscari (Decne.) L. H. Bailey. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

Determination of clebopride in plasma by capillary gas chromatography-negative-ion chemical ionization mass spectrometry.

Science.gov (United States)

Robinson, P R; Jones, M D; Maddock, J

1988-11-18

A procedure for the analysis of clebopride in plasma using capillary gas chromatography-negative-ion chemical ionization mass spectrometry has been developed. Employing an ethoxy analogue as internal standard, the two compounds were extracted from basified plasma using dichloromethane. Subsequent reaction with heptafluorobutyryl imidazole produced volatile monoheptafluorobutyryl derivatives whose ammonia negative-ion mass spectra proved ideal for selected-ion monitoring. The recovery of clebopride from plasma at 0.536 nmol/l was found to be 85.5 +/- 0.9% (n = 3) whilst measurement down to 0.268 nmol/l was possible with a coefficient of variation of 7.9%. Plasma levels of the compound are reported in two volunteers following ingestion of 1 mg of clebopride as the malate salt.

Ion trap architectures and new directions

Science.gov (United States)

Siverns, James D.; Quraishi, Qudsia

2017-12-01

Trapped ion technology has seen advances in performance, robustness and versatility over the last decade. With increasing numbers of trapped ion groups worldwide, a myriad of trap architectures are currently in use. Applications of trapped ions include: quantum simulation, computing and networking, time standards and fundamental studies in quantum dynamics. Design of such traps is driven by these various research aims, but some universally desirable properties have lead to the development of ion trap foundries. Additionally, the excellent control achievable with trapped ions and the ability to do photonic readout has allowed progress on quantum networking using entanglement between remotely situated ion-based nodes. Here, we present a selection of trap architectures currently in use by the community and present their most salient characteristics, identifying features particularly suited for quantum networking. We also discuss our own in-house research efforts aimed at long-distance trapped ion networking.

Ions kinematics in an electrostatic ion beam trap

Energy Technology Data Exchange (ETDEWEB)

Attia, D

2004-06-01

In this study, I have tried to provide a better understanding of the dynamics of ions inside an electrostatic ion beam trap. The electrostatic ion trap allows to store ions moving between two electrostatic mirrors. Although the trap has been developed already seven years ago, no direct measurement of the transversal velocity distribution of the ions has been performed. Such quantity is central for understanding the conditions under which a beam should be produced (mainly emittance) in order to be trapped by such a device. The data I have obtained during the course of this work are based on an experimental technique which relies on the direct imaging of the particles exiting the trap, as well as on numerical simulations of the ion trajectories inside the trap. I have personally been involved in the hardware development of the imaging system, the data acquisition and analysis of the data as well as il all numerical calculations presented here. These results allow us to obtain, for the first time, experimental information on the transverse phase space of the trap, and contribute to the overall understanding of the ion motion in this system. (author)

Precise mass measurements of exotic nuclei--the SHIPTRAP Penning trap mass spectrometer

International Nuclear Information System (INIS)

Herfurth, F.; Ackermann, D.; Block, M.; Dworschak, M.; Eliseev, S.; Hessberger, F.; Hofmann, S.; Kluge, H.-J.; Maero, G.; Martin, A.; Mazzocco, M.; Rauth, C.; Vorobjev, G.; Blaum, K.; Ferrer, R.; Neidherr, D.; Chaudhuri, A.; Marx, G.; Schweikhard, L.; Neumayr, J.

2007-01-01

The SHIPTRAP Penning trap mass spectrometer has been designed and constructed to measure the mass of short-lived, radioactive nuclei. The radioactive nuclei are produced in fusion-evaporation reactions and separated in flight with the velocity filter SHIP at GSI in Darmstadt. They are captured in a gas cell and transfered to a double Penning trap mass spectrometer. There, the cyclotron frequencies of the radioactive ions are determined and yield mass values with uncertainties ≥4.5·10 -8 . More than 50 nuclei have been investigated so far with the present overall efficiency of about 0.5 to 2%

Analysis of iodinated quorum sensing peptides by LC–UV/ESI ion trap mass spectrometry

Directory of Open Access Journals (Sweden)

Yorick Janssens

2018-02-01

Full Text Available Five different quorum sensing peptides (QSP were iodinated using different iodination techniques. These iodinated peptides were analyzed using a C18 reversed phase HPLC system, applying a linear gradient of water and acetonitrile containing 0.1% (m/v formic acid as mobile phase. Electrospray ionization (ESI ion trap mass spectrometry was used for the identification of the modified peptides, while semi-quantification was performed using total ion current (TIC spectra. Non-iodinated peptides and mono- and di-iodinated peptides (NIP, MIP and DIP respectively were well separated and eluted in that order. Depending on the used iodination method, iodination yields varied from low (2% to high (57%.

Ultra high performance liquid chromatography with ion-trap TOF-MS for the fast characterization of flavonoids in Citrus bergamia juice.

Science.gov (United States)

Sommella, Eduardo; Pepe, Giacomo; Pagano, Francesco; Tenore, Gian Carlo; Dugo, Paola; Manfra, Michele; Campiglia, Pietro

2013-10-01

We have developed a fast ultra HPLC with ion-trap TOF-MS method for the analysis of flavonoids in Citrus bergamia juice. With respect to the typical methods for the analysis of these matrices based on conventional HPLC techniques, a tenfold faster separation was attained. The use of a core-shell particle column ensured high resolution within the fast analysis time of only 5 min. Unambiguous determination of flavonoid identity was obtained by the employment of a hybrid ion-trap TOF mass spectrometer with high mass accuracy (average error 1.69 ppm). The system showed good retention time and peak area repeatability, with maximum RSD% values of 0.36 and 3.86, respectively, as well as good linearity (R(2) ≥ 0.99). Our results show that ultra HPLC can be a useful tool for ultra fast qualitative/quantitative analysis of flavonoid compounds in citrus fruit juices. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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....

Ion trap device

Science.gov (United States)

Ibrahim, Yehia M.; Smith, Richard D.

2016-01-26

An ion trap device is disclosed. The device includes a series of electrodes that define an ion flow path. A radio frequency (RF) field is applied to the series of electrodes such that each electrode is phase shifted approximately 180 degrees from an adjacent electrode. A DC voltage is superimposed with the RF field to create a DC gradient to drive ions in the direction of the gradient. A second RF field or DC voltage is applied to selectively trap and release the ions from the device. Further, the device may be gridless and utilized at high pressure.

Lifetime measurements in an electrostatic ion beam trap using image charge monitoring

International Nuclear Information System (INIS)

Rahinov, Igor; Toker, Yoni; Heber, Oded; Rappaport, Michael; Zajfman, Daniel; Strasser, Daniel; Schwalm, Dirk

2012-01-01

A technique for mass-selective lifetime measurements of keV ions in a linear electrostatic ion beam trap is presented. The technique is based on bunching the ions using a weak RF potential and non-destructive ion detection by a pick-up electrode. This method has no mass-limitation, possesses the advantage of inherent mass-selectivity, and offers a possibility of measuring simultaneously the lifetimes of different ion species with no need for prior mass-selection.

Direct Analysis of Organic Compounds in Liquid Using a Miniature Photoionization Ion Trap Mass Spectrometer with Pulsed Carrier-Gas Capillary Inlet.

Science.gov (United States)

Lu, Xinqiong; Yu, Quan; Zhang, Qian; Ni, Kai; Qian, Xiang; Tang, Fei; Wang, Xiaohao

2017-08-01

A miniature ion trap mass spectrometer with capillary direct sampling and vacuum ultraviolet photoionization source was developed to conduct trace analysis of organic compounds in liquids. Self-aspiration sampling is available where the samples are drawn into the vacuum chamber through a capillary with an extremely low flow rate (less than 1 μL/min), which minimizes sample consumption in each analysis to tens of micrograms. A pulsed gas-assisted inlet was designed and optimized to promote sample transmission in the tube and facilitate the cooling of ions, thereby improving instrument sensitivity. A limit of detection of 2 ppb could be achieved for 2,4-dimethylaniline in a methanol solution. The sampling system described in the present study is specifically suitable for a miniature photoionization ion trap mass spectrometer that can perform rapid and online analysis for liquid samples. Graphical Abstract ᅟ.

Comprehensive two-dimensional liquid chromatography: Ion chromatography × reversed-phase liquid chromatography for separation of low-molar-mass organic acids

NARCIS (Netherlands)

Brudin, S.S.; Shellie, R.A.; Haddad, P.R.; Schoenmakers, P.J.

2010-01-01

In the work presented here a novel approach to comprehensive two-dimensional liquid chromatography is evaluated. Ion chromatography is chosen for the first-dimension separation and reversed-phase liquid chromatography is chosen for the second-dimension separation mode. The coupling of these modes is

The ion circus: A novel circular Paul trap to resolve isobaric contamination

Energy Technology Data Exchange (ETDEWEB)

Ramirez, E. Minaya [CSNSM-IN2P3/CNRS, Bat. 108, Universite de Paris Sud, 91405 Orsay (France)], E-mail: minaya@csnsm.in2p3.fr; Cabaret, S.; Lunney, D. [CSNSM-IN2P3/CNRS, Bat. 108, Universite de Paris Sud, 91405 Orsay (France)

2008-10-15

The ion circus is a miniature storage ring formed by a segmented radiofrequency mass filter bent into a circle. The primary goal of this unique device is to perform high-resolution mass separation with small transmission loss since the resolving power is increased while the orbiting ions cool in the ring. Contrary to its linear brother, this circular Paul trap is designed to cool and mass separate the ions over a much longer flight path, thus requiring lower buffer gas pressure. Ions can be accumulated in the ring and extracted either in tangential or perpendicular directions. This way, the trap also serves as a versatile beam distribution device. Design principles are presented and the prototype instrument, under test in Orsay, is described.

Determination of interglycosidic linkages in O-glycosyl flavones by high-performance liquid chromatography/photodiode-array detection coupled to electrospray ionization ion trap mass spectrometry. Its application to Tetragonula carbonaria honey from Australia.

Science.gov (United States)

Truchado, Pilar; Vit, Patricia; Heard, Tim A; Tomás-Barberán, Francisco A; Ferreres, Federico

2015-05-30

Tetragonula carbonaria pot-honeys are highly valued as a food source and for their biological activities in Australia, and there is a growing interest to know its composition. Phenolic metabolites, which could be related to their beneficial properties, have not been studied in depth yet. Mass spectrometry (MS) coupled to liquid chromatography (LC) is an advanced technique for the study of complex flavonoids present in difficult food matrices that hampers their isolation and purification. This allows the tentative characterization of diglycosides/triglycosides establishing the position of the O-glycosylation on the sugar moiety by the study of the MS data in T. carbonaria pot-honeys from Australia. Their spectra obtained by high-performance liquid chromatography/photodiode-array detection/electrospray ionization ion trap mass spectrometry (HPLC/DAD/ESI-MS(n) ) revealed for the first time 19 quercetin, kaempferol and isorhamnetin O-glycosides. These compounds were clustered in flavonoid triglycosides, diglycosides and monoglycosides. The first cluster contained one flavonoid trihexoside, two -3-O-(2-hexosyl, 6-rhamnosyl)hexosides and their isomers and two -3-O-(2,6-di-rhamnosyl)hexosides. In the second cluster, eleven flavonoid diglycosides such as three -3-O-(2-hexosyl)hexosides, four -3-O-(2-rhamnosyl)hexosides and one -3-O-(6-rhamnosyl)hexoside as well as two -3-O-(2-pentosyl)hexosides and one tentative -3-O-(3-pentosyl)hexoside were detected. In the monoglycoside group, only one flavonoid -3-O-hexoside was identified. The occurrence of this large number of flavonoid glycosides could be due to the low glucosidase activity previously reported in stingless bee honey. Copyright © 2015 John Wiley & Sons, Ltd.

A strategy for comprehensive identification of sequential constituents using ultra-high-performance liquid chromatography coupled with linear ion trap-Orbitrap mass spectrometer, application study on chlorogenic acids in Flos Lonicerae Japonicae.

Science.gov (United States)

Zhang, Jia-yu; Wang, Zi-jian; Li, Yun; Liu, Ying; Cai, Wei; Li, Chen; Lu, Jian-qiu; Qiao, Yan-jiang

2016-01-15

The analytical methodologies for evaluation of multi-component system in traditional Chinese medicines (TCMs) have been inadequate or unacceptable. As a result, the unclarity of multi-component hinders the sufficient interpretation of their bioactivities. In this paper, an ultra-high-performance liquid chromatography coupled with linear ion trap-Orbitrap (UPLC-LTQ-Orbitrap)-based strategy focused on the comprehensive identification of TCM sequential constituents was developed. The strategy was characterized by molecular design, multiple ion monitoring (MIM), targeted database hits and mass spectral trees similarity filter (MTSF), and even more isomerism discrimination. It was successfully applied in the HRMS data-acquisition and processing of chlorogenic acids (CGAs) in Flos Lonicerae Japonicae (FLJ), and a total of 115 chromatographic peaks attributed to 18 categories were characterized, allowing a comprehensive revelation of CGAs in FLJ for the first time. This demonstrated that MIM based on molecular design could improve the efficiency to trigger MS/MS fragmentation reactions. Targeted database hits and MTSF searching greatly facilitated the processing of extremely large information data. Besides, the introduction of diagnostic product ions (DPIs) discrimination, ClogP analysis, and molecular simulation, raised the efficiency and accuracy to characterize sequential constituents especially position and geometric isomers. In conclusion, the results expanded our understanding on CGAs in FLJ, and the strategy could be exemplary for future research on the comprehensive identification of sequential constituents in TCMs. Meanwhile, it may propose a novel idea for analyzing sequential constituents, and is promising for quality control and evaluation of TCMs. Copyright © 2015 Elsevier B.V. All rights reserved.

A linear radiofrequency ion trap for accumulation, bunching, and emittance improvement of radioactive ion beams

International Nuclear Information System (INIS)

Herfurth, F.; Dilling, J.; Kellerbauer, A.

2000-05-01

An ion beam cooler and buncher has been developed for the manipulation of radioactive ion beams. The gas-filled linear radiofrequency ion trap system is installed at the Penning trap mass spectrometer ISOLTRAP at ISOLDE/CERN. Its purpose is to accumulate the 60-keV continuous ISOLDE ion beam with high efficiency and to convert it into low-energy low-emittance ion pulses. The efficiency was found to exceed 10% in agreement with simulations. A more than 10-fold reduction of the ISOLDE beam emittance can be achieved. The system has been used successfully for first on-line experiments. Its principle, setup and performance will be discussed. (orig.)

Developments for the HITRAP cooler trap and mass measurements around A = 96 at SHIPTRAP

Energy Technology Data Exchange (ETDEWEB)

Koszudowski, Stephen

2009-07-08

The HITRAP (Highly charged Ions Trap) facility is currently being set up and commissioned at GSI in Darmstadt. It will provide bunches of 10{sup 5} heavy highly-charged ions, for example hydrogen-like uranium (U{sup 91+}), to high-precision atomic physics experiments. The ions are produced by the GSI accelerator complex and decelerated to 4 MeV/u in the Experimental Storage Ring. Then the ions are decelerated by a two-step linear decelerator down to 6 keV/u. The first deceleration step down to 500 keV/u was successfully commissioned. The decelerated ions are injected into a Penning trap (the Cooler Trap), where they are cooled to 4 K by electron and resistive cooling. Resonant circuits for non-destructive detection and the resistive cooling of the trapped particles were designed and tested. The time control of the trap-cycle (trapping, cooling, extraction) with a time resolution of 25 ns was implemented into the control system CS. CS is also used at the mass measurement Penning trap SHIPTRAP, where the new time control is successfully operated. SHIPTRAP measures radioactive ions stemming from fusion evaporation reactions at the velocity filter SHIP. The masses of 9 nuclides ({sup 93,94,95}Technetium, {sup 94,96}Ruthenium, {sup 95,96,97,98}Rhodium) near the line of stability were precisely measured and compared with the Atomic Mass Evaluation. The detection of isomeric states with the present SHIPTRAP set-up was studied. (orig.)

Developments for the HITRAP cooler trap and mass measurements around A = 96 at SHIPTRAP

International Nuclear Information System (INIS)

Koszudowski, Stephen

2009-01-01

The HITRAP (Highly charged Ions Trap) facility is currently being set up and commissioned at GSI in Darmstadt. It will provide bunches of 10 5 heavy highly-charged ions, for example hydrogen-like uranium (U 91+ ), to high-precision atomic physics experiments. The ions are produced by the GSI accelerator complex and decelerated to 4 MeV/u in the Experimental Storage Ring. Then the ions are decelerated by a two-step linear decelerator down to 6 keV/u. The first deceleration step down to 500 keV/u was successfully commissioned. The decelerated ions are injected into a Penning trap (the Cooler Trap), where they are cooled to 4 K by electron and resistive cooling. Resonant circuits for non-destructive detection and the resistive cooling of the trapped particles were designed and tested. The time control of the trap-cycle (trapping, cooling, extraction) with a time resolution of 25 ns was implemented into the control system CS. CS is also used at the mass measurement Penning trap SHIPTRAP, where the new time control is successfully operated. SHIPTRAP measures radioactive ions stemming from fusion evaporation reactions at the velocity filter SHIP. The masses of 9 nuclides ( 93,94,95 Technetium, 94,96 Ruthenium, 95,96,97,98 Rhodium) near the line of stability were precisely measured and compared with the Atomic Mass Evaluation. The detection of isomeric states with the present SHIPTRAP set-up was studied. (orig.)

Optical Trapping of Ion Coulomb Crystals

Science.gov (United States)

Schmidt, Julian; Lambrecht, Alexander; Weckesser, Pascal; Debatin, Markus; Karpa, Leon; Schaetz, Tobias

2018-04-01

The electronic and motional degrees of freedom of trapped ions can be controlled and coherently coupled on the level of individual quanta. Assembling complex quantum systems ion by ion while keeping this unique level of control remains a challenging task. For many applications, linear chains of ions in conventional traps are ideally suited to address this problem. However, driven motion due to the magnetic or radio-frequency electric trapping fields sometimes limits the performance in one dimension and severely affects the extension to higher-dimensional systems. Here, we report on the trapping of multiple barium ions in a single-beam optical dipole trap without radio-frequency or additional magnetic fields. We study the persistence of order in ensembles of up to six ions within the optical trap, measure their temperature, and conclude that the ions form a linear chain, commonly called a one-dimensional Coulomb crystal. As a proof-of-concept demonstration, we access the collective motion and perform spectrometry of the normal modes in the optical trap. Our system provides a platform that is free of driven motion and combines advantages of optical trapping, such as state-dependent confinement and nanoscale potentials, with the desirable properties of crystals of trapped ions, such as long-range interactions featuring collective motion. Starting with small numbers of ions, it has been proposed that these properties would allow the experimental study of many-body physics and the onset of structural quantum phase transitions between one- and two-dimensional crystals.

Screening and confirmation criteria for hormone residue analysis using liquid chromatography accurate mass time-of-flight, Fourier transform ion cyclotron resonance and orbitrap mass spectrometry techniques

NARCIS (Netherlands)

Nielen, M.W.F.; Engelen, M.C. van; Zuiderent, R.; Ramaker, R.

2007-01-01

An emerging trend is recognised in hormone and veterinary drug residue analysis from liquid chromatography tandem mass spectrometry (LC/MS/MS) based screening and confirmation towards accurate mass alternatives such as LC coupled with time-of-flight (TOF), Fourier transform ion cyclotron resonance

Optical Trapping of Ion Coulomb Crystals

Directory of Open Access Journals (Sweden)

Julian Schmidt

2018-05-01

Full Text Available The electronic and motional degrees of freedom of trapped ions can be controlled and coherently coupled on the level of individual quanta. Assembling complex quantum systems ion by ion while keeping this unique level of control remains a challenging task. For many applications, linear chains of ions in conventional traps are ideally suited to address this problem. However, driven motion due to the magnetic or radio-frequency electric trapping fields sometimes limits the performance in one dimension and severely affects the extension to higher-dimensional systems. Here, we report on the trapping of multiple barium ions in a single-beam optical dipole trap without radio-frequency or additional magnetic fields. We study the persistence of order in ensembles of up to six ions within the optical trap, measure their temperature, and conclude that the ions form a linear chain, commonly called a one-dimensional Coulomb crystal. As a proof-of-concept demonstration, we access the collective motion and perform spectrometry of the normal modes in the optical trap. Our system provides a platform that is free of driven motion and combines advantages of optical trapping, such as state-dependent confinement and nanoscale potentials, with the desirable properties of crystals of trapped ions, such as long-range interactions featuring collective motion. Starting with small numbers of ions, it has been proposed that these properties would allow the experimental study of many-body physics and the onset of structural quantum phase transitions between one- and two-dimensional crystals.

Sensitive and comprehensive detection of chemical warfare agents in air by atmospheric pressure chemical ionization ion trap tandem mass spectrometry with counterflow introduction.

Science.gov (United States)

Seto, Yasuo; Sekiguchi, Hiroshi; Maruko, Hisashi; Yamashiro, Shigeharu; Sano, Yasuhiro; Takayama, Yasuo; Sekioka, Ryoji; Yamaguchi, Shintaro; Kishi, Shintaro; Satoh, Takafumi; Sekiguchi, Hiroyuki; Iura, Kazumitsu; Nagashima, Hisayuki; Nagoya, Tomoki; Tsuge, Kouichiro; Ohsawa, Isaac; Okumura, Akihiko; Takada, Yasuaki; Ezawa, Naoya; Watanabe, Susumu; Hashimoto, Hiroaki

2014-05-06

A highly sensitive and specific real-time field-deployable detection technology, based on counterflow air introduction atmospheric pressure chemical ionization, has been developed for a wide range of chemical warfare agents (CWAs) comprising gaseous (two blood agents, three choking agents), volatile (six nerve gases and one precursor agent, five blister agents), and nonvolatile (three lachrymators, three vomiting agents) agents in air. The approach can afford effective chemical ionization, in both positive and negative ion modes, for ion trap multiple-stage mass spectrometry (MS(n)). The volatile and nonvolatile CWAs tested provided characteristic ions, which were fragmented into MS(3) product ions in positive and negative ion modes. Portions of the fragment ions were assigned by laboratory hybrid mass spectrometry (MS) composed of linear ion trap and high-resolution mass spectrometers. Gaseous agents were detected by MS or MS(2) in negative ion mode. The limits of detection for a 1 s measurement were typically at or below the microgram per cubic meter level except for chloropicrin (submilligram per cubic meter). Matrix effects by gasoline vapor resulted in minimal false-positive signals for all the CWAs and some signal suppression in the case of mustard gas. The moisture level did influence the measurement of the CWAs.

Spin resonance with trapped ions

Energy Technology Data Exchange (ETDEWEB)

Wunderlich, Ch; Balzer, Ch; Hannemann, T; Mintert, F; Neuhauser, W; Reiss, D; Toschek, P E [Institut fuer Laser-Physik, Universitaet Hamburg, Jungiusstrasse 9, 20355 Hamburg (Germany)

2003-03-14

A modified ion trap is described where experiments (in particular related to quantum information processing) that usually require optical radiation can be carried out using microwave or radio frequency electromagnetic fields. Instead of applying the usual methods for coherent manipulation of trapped ions, a string of ions in such a modified trap can be treated like a molecule in nuclear magnetic resonance experiments taking advantage of spin-spin coupling. The collection of trapped ions can be viewed as an N-qubit molecule with adjustable spin-spin coupling constants. Given N identically prepared quantum mechanical two-level systems (qubits), the optimal strategy to estimate their quantum state requires collective measurements. Using the ground state hyperfine levels of electrodynamically trapped {sup 171}Yb{sup +}, we have implemented an adaptive algorithm for state estimation involving sequential measurements on arbitrary qubit states.

Spin resonance with trapped ions

International Nuclear Information System (INIS)

Wunderlich, Ch; Balzer, Ch; Hannemann, T; Mintert, F; Neuhauser, W; Reiss, D; Toschek, P E

2003-01-01

A modified ion trap is described where experiments (in particular related to quantum information processing) that usually require optical radiation can be carried out using microwave or radio frequency electromagnetic fields. Instead of applying the usual methods for coherent manipulation of trapped ions, a string of ions in such a modified trap can be treated like a molecule in nuclear magnetic resonance experiments taking advantage of spin-spin coupling. The collection of trapped ions can be viewed as an N-qubit molecule with adjustable spin-spin coupling constants. Given N identically prepared quantum mechanical two-level systems (qubits), the optimal strategy to estimate their quantum state requires collective measurements. Using the ground state hyperfine levels of electrodynamically trapped 171 Yb + , we have implemented an adaptive algorithm for state estimation involving sequential measurements on arbitrary qubit states

Utility of imaging mass spectrometry (IMS) by matrix-assisted laser desorption ionization (MALDI) on an ion trap mass spectrometer in the analysis of drugs and metabolites in biological tissues.

Science.gov (United States)

Drexler, Dieter M; Garrett, Timothy J; Cantone, Joseph L; Diters, Richard W; Mitroka, James G; Prieto Conaway, Maria C; Adams, Stephen P; Yost, Richard A; Sanders, Mark

2007-01-01

The properties and potential liabilities of drug candidate are investigated in detailed ADME assays and in toxicity studies, where findings are placed in context of exposure to dosed drug and metabolites. The complex nature of biological samples may necessitate work-up procedures prior to high performance liquid chromatography-mass spectrometric (HPLC-MS) analysis of endogenous or xenobiotic compounds. This concept can readily be applied to biological fluids such as blood or urine, but in localized samples such as organs and tissues potentially important spatial, thus anatomical, information is lost during sample preparation as the result of homogenization and extraction procedures. However, the localization of test article or spatial identification of metabolites may be critical to the understanding of the mechanism of target-organ toxicity and its relevance to clinical safety. Tissue imaging mass spectrometry (IMS) by matrix-assisted laser desorption ionization (MALDI) and ion trap mass spectrometry (MS) with higher order mass spectrometric scanning functions was utilized for localization of dosed drug or metabolite in tissue. Laser capture microscopy (LCM) was used to obtain related samples from tissue for analyses by standard MALDI-MS and HPLC-MS. In a toxicology study, rats were administered with a high dosage of a prodrug for 2 weeks. Birefringent microcrystalline material (10-25 microm) was observed in histopathologic formalin-fixed tissue samples. Direct analysis by IMS provided the identity of material in the microcrystals as circulating active drug while maintaining spatial orientation. Complementary data from visual cross-polarized light microscopy as well as standard MALDI-MS and HPLC-MS experiments on LCM samples validated the qualitative results obtained by IMS. Furthermore, the HPLC-MS analysis on the LCM samples afforded a semi-quantitative assessment of the crystalline material in the tissue samples. IMS by MALDI ion trap MS proved sensitive

Numerical and graphical description on the ion motions in a Penning trap for mass measurements

International Nuclear Information System (INIS)

Sun, Y.L.; Tian, Y.L.; Huang, W.X.; Wang, J.Y.; Wang, Y.S.; Zhao, J.M.; Wang, Y.

2013-01-01

The ion motions in a Penning trap have been studied in detail in the presence of azimuthal dipolar and quadrupolar radio-frequency excitations and buffer gas cooling. The numerical solutions by using the Runge–Kutta method and thus the pictures of the ion trajectories in the trap have been obtained for different cases and summarized in graphical form. For the recentering of the ion of interest and to perform the purification of the ion species, one has to set a reasonable buffer gas pressure in the trap and apply azimuthal quadrupolar excitation at frequency ω rf =ω c . -- Highlights: • Azimuthal dipolar and quadrupolar rf excitations and buffer gas cooling. • Runge–Kutta method. • Pictures of the ion trajectories obtained and summarized in graphical form. • A reasonable buffer gas pressure should be set for recentering ions

Improvements in the injection system of the Canadian Penning trap mass spectrometer

CERN Document Server

Clark, J; Boudreau, C; Buchinger, F; Crawford, J E; Gulick, S; Hardy, J C; Heinz, A; Lee, J K P; Moore, R B; Savard, G; Seweryniak, D; Sharma, K S; Sprouse, G; Vaz, J; Wang, J C; Zhou, Z

2003-01-01

The Canadian Penning Trap (CPT) mass spectrometer is designed to make precise mass measurements on a variety of stable and short-lived isotopes. Modifications to the injection system of the CPT have been implemented in recent months, the purpose being to more efficiently collect and transfer weakly-produced reaction products from the target to the Penning trap. These include a magnetic triplet situated after the target chamber to increase the acceptance of the Enge spectrograph, a velocity filter to more effectively separate the beam from the reaction products and the replacement of the Paul trap with a linear trap resulting in more efficient capture and accumulation of ions from the ion cooler. This paper will discuss these recent modifications and how they have increased our ability in making mass measurements on isotopes of low abundance, including those from a sup 2 sup 5 sup 2 Cf fission source.

A Dual Source Ion Trap Mass Spectrometer for the Mars Organic Molecule Analyzer of ExoMars 2018

Science.gov (United States)

Brickerhoff, William B.; vanAmerom, F. H. W.; Danell, R. M.; Arevalo, R.; Atanassova, M.; Hovmand, L.; Mahaffy, P. R.; Cotter, R. J.

2011-01-01

We present details on the objectives, requirements, design and operational approach of the core mass spectrometer of the Mars Organic Molecule Analyzer (MOMA) investigation on the 2018 ExoMars mission. The MOMA mass spectrometer enables the investigation to fulfill its objective of analyzing the chemical composition of organic compounds in solid samples obtained from the near surface of Mars. Two methods of ionization are realized, associated with different modes of MOMA operation, in a single compact ion trap mass spectrometer. The stringent mass and power constraints of the mission have led to features such as low voltage and low frequency RF operation [1] and pulse counting detection.

Systems and Methods for Ejection of Ions from an Ion Trap

Science.gov (United States)

Cooks, Robert Graham (Inventor); Snyder, Dalton (Inventor)

2018-01-01

The invention generally relates to systems and methods for ejection of ions from an ion trap. In certain embodiments, systems and methods of the invention sum two different frequency signals into a single summed signal that is applied to an ion trap. In other embodiments, an amplitude of a single frequency signal is modulated as the single frequency signal is being applied to the ion trap. In other embodiments, a first alternating current (AC) signal is applied to an ion trap that varies as a function of time, while a constant radio frequency (RF) signal is applied to the ion trap.

Single trapped cold ions: a testing ground for quantum mechanics

International Nuclear Information System (INIS)

Maniscalco, S

2005-01-01

In this article I review some results obtained during my PhD work in the group of Professor Messina, at the University of Palermo. I discuss some proposals aimed at exploring fundamental issues of quantum theory, e.g. entanglement and quantum superpositions, in the context of single trapped ions. This physical context turns out to be extremely well suited both for studying fundamental features of quantum mechanics, such as the quantum-classical border, and for technological applications such as quantum logic gates and quantum registers. I focus on some procedures for engineering nonclassical states of the vibrational motion of the centre of mass of the ion. I consider both the case in which the ion interacts with classical laser beams and the case of interaction with a quantized mode of light. In particular, I discuss the generation of Schroedinger cat-like states, Bell states and Greenberger-Horn-Zeilinger states. The schemes for generating nonclassical states stem from two different quantum processes: the parity effect and the quantum state manipulation via quantum non-demolition measurement. Finally, I consider a microscopic theory of the interaction of a quantum harmonic oscillator (the centre of mass of the ion in the trapped ion context) with a bosonic thermal environment. Using an exact approach to the dynamics, I discuss a quantum theory of heating of trapped ions able to describe both the short time non-Markovian regime and the thermalization process. I conclude showing briefly how the trapped ion systems can be used as simulators of key models of open quantum systems such as the Caldeira-Leggett model. (phd tutorial)

Quantized motion of trapped ions

International Nuclear Information System (INIS)

Steinbach, J.

1999-01-01

This thesis is concerned with a theoretical and numerical study of the preparation and coherent manipulation of quantum states in the external and internal degrees of freedom of trapped ions. In its first part, this thesis proposes and investigates schemes for generating several nonclassical states for the quantized vibrational motion of a trapped ion. Based on dark state preparation specific laser excitation configurations are presented which, given appropriately chosen initial states, realize the desired motional states in the steady-state, indicated by the cessation of the fluorescence emitted by the ion. The focus is on the SU(1,1) intelligent states in both their single- and two-mode realization, corresponding to one- and two-dimensional motion of the ion. The presented schemes are also studied numerically using a Monte-Carlo state-vector method. The second part of the thesis describes how two vibrational degrees of freedom of a single trapped ion can be coupled through the action of suitably chosen laser excitation. Concentrating on a two-dimensional ion trap with dissimilar vibrational frequencies a variety of quantized two-mode couplings are derived. The focus is on a linear coupling that takes excitations from one mode to another. It is demonstrated how this can result in a state rotation, in which it is possible to coherently transfer the motional state of the ion between orthogonal directions without prior knowledge of that motional state. The third part of this thesis presents a new efficient method for generating maximally entangled internal states of a collection of trapped ions. The method is deterministic and independent of the number of ions in the trap. As the essential element of the scheme a mechanism for the realization of a controlled NOT operation that can operate on multiple ions is proposed. The potential application of the scheme for high-precision frequency standards is explored. (author)

Novel Ion Trap Design for Strong Ion-Cavity Coupling

Directory of Open Access Journals (Sweden)

Alejandro Márquez Seco

2016-04-01

Full Text Available We present a novel ion trap design which facilitates the integration of an optical fiber cavity into the trap structure. The optical fibers are confined inside hollow electrodes in such a way that tight shielding and free movement of the fibers are simultaneously achievable. The latter enables in situ optimization of the overlap between the trapped ions and the cavity field. Through numerical simulations, we systematically analyze the effects of the electrode geometry on the trapping characteristics such as trap depths, secular frequencies and the optical access angle. Additionally, we simulate the effects of the presence of the fibers and confirm the robustness of the trapping potential. Based on these simulations and other technical considerations, we devise a practical trap configuration that isviable to achieve strong coupling of a single ion.

The Aarhus Ion Micro-Trap Project

DEFF Research Database (Denmark)

Miroshnychenko, Yevhen; Nielsen, Otto; Poulsen, Gregers

As part of our involvement in the EU MICROTRAP project, we have designed, manufactured and assembled a micro-scale ion trap with integrated optical fibers. These prealigned fibers will allow delivering cooling laser light to single ions. Therefore, such a trap will not require any direct optical...... and installed in an ultra high vacuum chamber, which includes an ablation oven for all-optical loading of the trap [2]. The next steps on the project are to demonstrate the operation of the micro-trap and the cooling of ions using fiber delivered light. [1] D. Grant, Development of Micro-Scale Ion traps, Master...... Thesis (2008). [2] R.J. Hendricks, D.M. Grant, P.F. Herskind, A. Dantan and M. Drewsen, An all-optical ion-loading technique for scalable microtrap architectures, Applied Physics B, 88, 507 (2007)....

Commissioning of the double Penning trap system MLLTRAP and first studies on mass-dependent systematic uncertainties

Energy Technology Data Exchange (ETDEWEB)

Krug, Kevin; Weber, Christine; Thirolf, Peter G.; Szerypo, Jerzy; Gartzke, Eva; Habs, Dietrich [Fakultaet fuer Physik, LMU Muenchen (Germany); Kolhinen, Veli [Fakultaet fuer Physik, LMU Muenchen (Germany); Department of Physics, University of Jyvaeskylae (Finland)

2010-07-01

The cylindrical double Penning trap system MLLTRAP in its commissioning phase at the Maier-Leibnitz-Laboratory (MLL) Tandem accelerator in Garching is designed to perform high-accuracy mass measurements on fusion-reaction products. As the mass uncertainty is inversely proportional to the ionic charge state, the ions of interest will be charge bred prior to injection into the Penning trap system. In the future setup, both traps are foreseen to be operated as measurement traps with a relative homogeneity of the magnetic field at the trapping sites of {delta}B/B{<=}0.3 ppm. In the commissioning phase, an offline surface ionization source is used for iterative optimization of the apparatus and studies on mass-dependent systematic uncertainties. Mass measurements via the time-of-flight ion cyclotron resonance method (TOF-ICR) of reference ions with well-known masses ({sup 85}Rb, {sup 87}Rb, {sup 39}K, {sup 133}Cs) were carried out to analyze mass-dependent systematic effects. Together with previous studies on the uncertainty due to magnetic-field fluctuations the current status with respect to the limits of mass accuracy of the apparatus is presented.

Penning-trap mass spectrometry of radioactive, highly charged ions. Measurements of neutron-rich Rb and Sr nuclides for nuclear astrophysics and development of a novel Penning trap for cooling highly charged ions

International Nuclear Information System (INIS)

Simon, Vanessa Veronique

2012-01-01

High-precision atomic mass measurements are vital for the description of nuclear structure, investigations of nuclear astrophysical processes, and tests of fundamental symmetries. The neutron-rich A ∼ 100 region presents challenges for modeling the astrophysical r-process because of sudden nuclear shape transitions. This thesis reports on high-precision masses of short-lived neutron-rich 94,97,98 Rb and 94,97-99 Sr isotopes using the TITAN Penning-trap mass spectrometer at TRIUMF. The isotopes were charge-bred to q = 15+; uncertainties of less than 4 keV were achieved. Results deviate by up to 11σ compared to earlier measurements and extend the region of nuclear deformation observed in the A∼100 region. A parameterized r-process model network calculation shows that mass uncertainties for the elemental abundances in this region are now negligible. Although beneficial for the measurement precision, the charge breeding process leads to an increased energy spread of the ions on the order of tens of eV/q. To eliminate this drawback, a Cooler Penning Trap (CPET) has been developed as part of this thesis. The novel multi-electrode trap structure of CPET forms nested potentials to cool HCI sympathetically using either electrons or protons to increase the overall efficiency and precision of the mass measurement. The status of the off-line setup and initial commissioning experiments are presented.

Collision induced dissociation of protonated N-nitrosodimethylamine by ion trap mass spectrometry: Ultimate carcinogens in gas phase

Science.gov (United States)

Kulikova, Natalia; Baker, Michael; Gabryelski, Wojciech

2009-12-01

Collision induced dissociation of protonated N-nitrosodimethylamine (NDMA) and isotopically labeled N-nitrosodimethyl-d6-amine (NDMA-d6) was investigated by sequential ion trap mass spectrometry to establish mechanisms of gas phase reactions leading to intriguing products of this potent carcinogen. The fragmentation of (NDMA + H+) occurs via two dissociation pathways. In the alkylation pathway, homolytic cleavage of the N-O bond of N-dimethyl, N'-hydroxydiazenium ion generates N-dimethyldiazenium distonic ion which reacts further by a CH3 radical loss to form methanediazonium ion. Both methanediazonium ion and its precursor are involved in ion/molecule reactions. Methanediazonium ion showed to be capable of methylating water and methanol molecules in the gas phase of the ion trap and N-dimethyldiazenium distonic ion showed to abstract a hydrogen atom from a solvent molecule. In the denitrosation pathway, a tautomerization of N-dimethyl, N'-hydroxydiazenium ion to N-nitrosodimethylammonium intermediate ion results in radical cleavage of the N-N bond of the intermediate ion to form N-dimethylaminium radical cation which reacts further through [alpha]-cleavage to generate N-methylmethylenimmonium ion. Although the reactions of NDMA in the gas phase are different to those for enzymatic conversion of NDMA in biological systems, each activation method generates the same products. We will show that collision induced dissociation of N-nitrosodiethylamine (NDEA) and N-nitrosodipropylamine (NDPA) is also a feasible approach to gain information on formation, stability, and reactivity of alkylating agents originating from NDEA and NDPA. Investigating such biologically relevant, but highly reactive intermediates in the condensed phase is hampered by the short life-times of these transient species.

An efficient hydrophilic interaction liquid chromatography separation of 7 phospholipid classes based on a diol column

NARCIS (Netherlands)

Zhu, C.; Dane, A.; Spijksma, G.; Wang, M.; Greef, J. van der; Luo, G.; Hankemeier, T.; Vreeken, R.J.

2012-01-01

A hydrophilic interaction liquid chromatography (HILIC) - ion trap mass spectrometry method was developed for separation of a wide range of phospholipids. A diol column which is often used with normal phase chromatography was adapted to separate different phospholipid classes in HILIC mode using a

Spectroscopy with trapped highly charged ions

International Nuclear Information System (INIS)

Beiersdorfer, Peter

2009-01-01

We give an overview of atomic spectroscopy performed on electron beam ion traps at various locations throughout the world. Spectroscopy at these facilities contributes to various areas of science and engineering, including but not limited to basic atomic physics, astrophysics, extreme ultraviolet lithography, and the development of density and temperature diagnostics of fusion plasmas. These contributions are accomplished by generating, for example, spectral surveys, making precise radiative lifetime measurements, accounting for radiative power emitted in a given wavelength band, illucidating isotopic effects, and testing collisional-radiative models. While spectroscopy with electron beam ion traps had originally focused on the x-ray emission from highly charged ions interacting with the electron beam, the operating modes of such devices have expanded to study radiation in almost all wavelength bands from the visible to the hard x-ray region; and at several facilities the ions can be studied even in the absence of an electron beam. Photon emission after charge exchange or laser excitation has been observed; and the work is no longer restricted to highly charged ions. Much of the experimental capabilities are unique to electron beam ion traps, and the work performed with these devices cannot be undertaken elsewhere. However, in other areas the work on electron beam ion traps rivals the spectroscopy performed with conventional ion traps or heavy-ion storage rings. The examples we present highlight many of the capabilities of the existing electron beam ion traps and their contributions to physics.

Two-step ion-exchange chromatographic purification combined with reversed-phase chromatography to isolate C-peptide for mass spectrometric analysis.

Science.gov (United States)

Kabytaev, Kuanysh; Durairaj, Anita; Shin, Dmitriy; Rohlfing, Curt L; Connolly, Shawn; Little, Randie R; Stoyanov, Alexander V

2016-02-01

A liquid chromatography with mass spectrometry on-line platform that includes the orthogonal techniques of ion exchange and reversed phase chromatography is applied for C-peptide analysis. Additional improvement is achieved by the subsequent application of cation- and anion-exchange purification steps that allow for isolating components that have their isoelectric points in a narrow pH range before final reversed-phase mass spectrometry analysis. The utility of this approach for isolating fractions in the desired "pI window" for profiling complex mixtures is discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Simultaneous Qualitative and Quantitative Analysis of Multiple Chemical Constituents in YiQiFuMai Injection by Ultra-Fast Liquid Chromatography Coupled with Ion Trap Time-of-Flight Mass Spectrometry

Directory of Open Access Journals (Sweden)

Chunhua Liu

2016-05-01

Full Text Available YiQiFuMai injection (YQFM is a modern lyophilized powder preparation derived from the traditional Chinese medicine Sheng-mai san (SMS used for treating cardiovascular diseases, such as chronic heart failure. However, its chemical composition has not been fully elucidated, particularly for the preparation derived from Ophiopogon japonicus. This study aimed to establish a systematic and reliable method to quickly and simultaneously analyze the chemical constituents in YQFM by ultra-fast liquid chromatography coupled with ion trap time-of-flight mass spectrometry (UFLC-IT-TOF/MS. Sixty-five compounds in YQFM were tentatively identified by comparison with reference substances or literature data. Furthermore, twenty-one compounds, including three ophiopogonins, fifteen ginsenosides and three lignans were quantified by UFLC-IT-TOF/MS. Notably, this is the first determination of steroidal saponins from O. japonicus in YQFM. The relative standard deviations (RSDs of intra- and inter-day precision, reproducibility and stability were <4.9% and all analytes showed good linearity (R2 ≥ 0.9952 and acceptable recovery of 91.8%–104.2% (RSD ≤ 5.4%, indicating that the methods were reliable. These methods were successfully applied to quantitative analysis of ten batches of YQFM. The developed approach can provide useful and comprehensive information for quality control, further mechanistic studies in vivo and clinical application of YQFM.

A simple liquid extraction protocol for overcoming the ion suppression of triacylglycerols by phospholipids in liquid chromatography mass spectrometry studies.

Science.gov (United States)

Araujo, Pedro; Tilahun, Ephrem; Breivik, Joar Fjørtoft; Abdulkader, Bashir M; Frøyland, Livar; Zeng, Yingxu

2016-02-01

It is well-known that triacylglycerol (TAG) ions are suppressed by phospholipid (PL) ions in regiospecific analysis of TAG by mass spectrometry (MS). Hence, it is essential to remove the PL during sample preparation prior to MS analysis. The present article proposes a cost-effective liquid-liquid extraction (LLE) method to remove PL from TAG in different kinds of biological samples by using methanol, hexane and water. High performance thin layer chromatography confirmed the lack of PL in krill oil and salmon liver samples, submitted to the proposed LLE protocol, and liquid chromatography tandem MS confirmed that the identified TAG ions were highly enhanced after implementing the LLE procedure. Copyright © 2015 Elsevier B.V. All rights reserved.

Improving quantitative gas chromatography-electron ionization mass spectrometry results using a modified ion source: demonstration for a pharmaceutical application.

Science.gov (United States)

D'Autry, Ward; Wolfs, Kris; Hoogmartens, Jos; Adams, Erwin; Van Schepdael, Ann

2011-07-01

Gas chromatography-mass spectrometry is a well established analytical technique. However, mass spectrometers with electron ionization sources may suffer from signal drifts, hereby negatively influencing quantitative performance. To demonstrate this phenomenon for a real application, a static headspace-gas chromatography method in combination with electron ionization-quadrupole mass spectrometry was optimized for the determination of residual dichloromethane in coronary stent coatings. Validating the method, the quantitative performance of an original stainless steel ion source was compared to that of a modified ion source. Ion source modification included the application of a gold coating on the repeller and exit plate. Several validation aspects such as limit of detection, limit of quantification, linearity and precision were evaluated using both ion sources. It was found that, as expected, the stainless steel ion source suffered from signal drift. As a consequence, non-linearity and high RSD values for repeated analyses were obtained. An additional experiment was performed to check whether an internal standard compound would lead to better results. It was found that the signal drift patterns of the analyte and internal standard were different, consequently leading to high RSD values for the response factor. With the modified ion source however, a more stable signal was observed resulting in acceptable linearity and precision. Moreover, it was also found that sensitivity improved compared to the stainless steel ion source. Finally, the optimized method with the modified ion source was applied to determine residual dichloromethane in the coating of coronary stents. The solvent was detected but found to be below the limit of quantification. Copyright © 2011 Elsevier B.V. All rights reserved.

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

Science.gov (United States)

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

Asymmetric ion trap

Science.gov (United States)

Barlow, Stephan E.; Alexander, Michael L.; Follansbee, James C.

1997-01-01

An ion trap having two end cap electrodes disposed asymmetrically about a center of a ring electrode. The inner surface of the end cap electrodes are conformed to an asymmetric pair of equipotential lines of the harmonic formed by the application of voltages to the electrodes. The asymmetry of the end cap electrodes allows ejection of charged species through the closer of the two electrodes which in turn allows for simultaneously detecting anions and cations expelled from the ion trap through the use of two detectors charged with opposite polarity.

The analysis of aqueous mixtures using liquid chromatography-electrospray mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Johnson, Steven [Iowa State Univ., Ames, IA (United States)

1999-02-12

The focus of this dissertation is the use of chromatographic methods coupled with electrospray mass spectrometry (ES-MS) for the determination of both organic and inorganic compounds in aqueous solutions. The combination of liquid chromatography (LC) methods and ES-MS offers one of the foremost methods for determining compounds in complex aqueous solutions. In this work, LC-ES-MS methods are devised using ion exclusion chromatography, reversed phase chromatography, and ion exchange chromatography, as well as capillary electrophoresis (CE). For an aqueous sample, these LC-ES-MS and CE-ES-MS techniques require no sample preparation or analyte derivatization, which makes it possible to observe a wide variety of analytes as they exist in solution. The majority of this work focuses on the use of LC-ES-MS for the determination of unknown products and intermediates formed during electrochemical incineration (ECI), an experimental waste remediation process. This report contains a general introduction to the project and the general conclusions. Four chapters have been removed for separate processing. Titles are: Chapter 2: Determination of small carboxylic acids by ion exclusion chromatography with electrospray mass spectrometry; Chapter 3: Electrochemical incineration of benzoquinone in aqueous media using a quaternary metal oxide electrode in the absence of a soluble supporting electrolyte; Chapter 4: The determination of electrochemical incineration products of 4-chlorophenol by liquid chromatography-electrospray mass spectrometry; and Chapter 5: Determination of small carboxylic acids by capillary electrophoresis with electrospray mass spectrometry.

MATS and LaSpec: High-precision experiments using ion traps and lasers at FAIR

Science.gov (United States)

Rodríguez, D.; Blaum, K.; Nörtershäuser, W.; Ahammed, M.; Algora, A.; Audi, G.; Äystö, J.; Beck, D.; Bender, M.; Billowes, J.; Block, M.; Böhm, C.; Bollen, G.; Brodeur, M.; Brunner, T.; Bushaw, B. A.; Cakirli, R. B.; Campbell, P.; Cano-Ott, D.; Cortés, G.; Crespo López-Urrutia, J. R.; Das, P.; Dax, A.; de, A.; Delheij, P.; Dickel, T.; Dilling, J.; Eberhardt, K.; Eliseev, S.; Ettenauer, S.; Flanagan, K. T.; Ferrer, R.; García-Ramos, J.-E.; Gartzke, E.; Geissel, H.; George, S.; Geppert, C.; Gómez-Hornillos, M. B.; Gusev, Y.; Habs, D.; Heenen, P.-H.; Heinz, S.; Herfurth, F.; Herlert, A.; Hobein, M.; Huber, G.; Huyse, M.; Jesch, C.; Jokinen, A.; Kester, O.; Ketelaer, J.; Kolhinen, V.; Koudriavtsev, I.; Kowalska, M.; Krämer, J.; Kreim, S.; Krieger, A.; Kühl, T.; Lallena, A. M.; Lapierre, A.; Le Blanc, F.; Litvinov, Y. A.; Lunney, D.; Martínez, T.; Marx, G.; Matos, M.; Minaya-Ramirez, E.; Moore, I.; Nagy, S.; Naimi, S.; Neidherr, D.; Nesterenko, D.; Neyens, G.; Novikov, Y. N.; Petrick, M.; Plaß, W. R.; Popov, A.; Quint, W.; Ray, A.; Reinhard, P.-G.; Repp, J.; Roux, C.; Rubio, B.; Sánchez, R.; Schabinger, B.; Scheidenberger, C.; Schneider, D.; Schuch, R.; Schwarz, S.; Schweikhard, L.; Seliverstov, M.; Solders, A.; Suhonen, M.; Szerypo, J.; Taín, J. L.; Thirolf, P. G.; Ullrich, J.; van Duppen, P.; Vasiliev, A.; Vorobjev, G.; Weber, C.; Wendt, K.; Winkler, M.; Yordanov, D.; Ziegler, F.

2010-05-01

Nuclear ground state properties including mass, charge radii, spins and moments can be determined by applying atomic physics techniques such as Penning-trap based mass spectrometry and laser spectroscopy. The MATS and LaSpec setups at the low-energy beamline at FAIR will allow us to extend the knowledge of these properties further into the region far from stability. The mass and its inherent connection with the nuclear binding energy is a fundamental property of a nuclide, a unique “fingerprint”. Thus, precise mass values are important for a variety of applications, ranging from nuclear-structure studies like the investigation of shell closures and the onset of deformation, tests of nuclear mass models and mass formulas, to tests of the weak interaction and of the Standard Model. The required relative accuracy ranges from 10-5 to below 10-8 for radionuclides, which most often have half-lives well below 1 s. Substantial progress in Penning trap mass spectrometry has made this method a prime choice for precision measurements on rare isotopes. The technique has the potential to provide high accuracy and sensitivity even for very short-lived nuclides. Furthermore, ion traps can be used for precision decay studies and offer advantages over existing methods. With MATS (Precision Measurements of very short-lived nuclei using an A_dvanced Trapping System for highly-charged ions) at FAIR we aim to apply several techniques to very short-lived radionuclides: High-accuracy mass measurements, in-trap conversion electron and alpha spectroscopy, and trap-assisted spectroscopy. The experimental setup of MATS is a unique combination of an electron beam ion trap for charge breeding, ion traps for beam preparation, and a high-precision Penning trap system for mass measurements and decay studies. For the mass measurements, MATS offers both a high accuracy and a high sensitivity. A relative mass uncertainty of 10-9 can be reached by employing highly-charged ions and a non

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.

Automated Gain Control and Internal Calibration With External Ion Accumulation Capillary liquid chromatography-electrospray ionization-fourier transform ion cyclotron resonance.

Energy Technology Data Exchange (ETDEWEB)

Belov, Mikhail E.(VISITORS); Zhang, Rui (BATTELLE (PACIFIC NW LAB)); Strittmatter, Eric F.(BATTELLE (PACIFIC NW LAB)); Prior, David C.(BATTELLE (PACIFIC NW LAB)); Tang, Keqi (BATTELLE (PACIFIC NW LAB)); Smith, Richard D.(BATTELLE (PACIFIC NW LAB))

2003-08-15

When combined with capillary LC separations, Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (ESI-FTICR MS) has increasingly been applied for advanced characterization of proteolytic digests. Incorporation of external (to the ICR cell) ion accumulation multipoles with FTICR for ion pre selection and accumulation has enhanced the dynamic range, sensitivity and duty cycle of measurements. However, the highly variable ion production rate from an LC separation can result in overfilling of the external trap, resulting in m/z discrimination and fragmentation of peptide ions. An excessive space charge trapped in the ICR cell causes significant shifts in the detected ion cyclotron frequencies, reducing the achievable mass measurement accuracy (MMA) for protein identification. To eliminate m/z discrimination in the external ion trap, further increase the duty cycle and improve MMA, we developed a capability for data-dependent adjustment of ion accumulation times in the course of an LC separation, referred to as Automated Gain Control (AGC), in combination with low kinetic energy gated ion trapping and internal calibration using a dual-channel electrodynamic ion funnel. The system was initially evaluated in the analysis of a 0.5 mg/mL tryptic digest of bovine serum albumin. The implementation of LC/ESI/AGC/FTICR with internal calibration gave rise to a {approx} 10-fold increase in the number of identified tryptic peptides within mass measurement accuracy of 2 ppm as compared to that detected during the conventional LC/FTICR run with a fixed ion accumulation time and external calibration.

Rapid Characterization and Identification of Flavonoids in Radix Astragali by Ultra-High-Pressure Liquid Chromatography Coupled with Linear Ion Trap-Orbitrap Mass Spectrometry.

Science.gov (United States)

Zhang, Jing; Xu, Xiao-Jie; Xu, Wen; Huang, Juan; Zhu, Da-yuan; Qiu, Xiao-Hui

2015-07-01

A simple and effective method was established for separation and characterization of flavonoid constituents in Radix Astragali (RA) by combination of ultra-high-pressure liquid chromatography with LTQ-Orbitrap tandem mass spectrometry (u-HPLC-LTQ-Orbitrap-MS(n)). For three major structural types of flavonoids, the proposed fragmentation pathways and major diagnostic fragment ions of isoflavones, pterocarpans and isoflavans were investigated to trace isoflavonoid derivatives in crude plant extracts. Based on the systematic identification strategy, 48 constituents were rapidly detected and characterized or tentatively identified, many of which were first reported in RA. The u-PHLC-LTQ-Orbitrap MS(n) platform was proved as an effective tool for rapid qualitative analysis of secondary metabolite productions from natural resources. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

IDENTIFICATION OF MICROCYSTIN TOXINS FROM A STRAIN OF MICROCYSTIS AERUGINOSA BY LIQUID CHROMATOGRAPHY INTRODUCTION INTO A HYBRID LINEAR ION TRAP-FOURIER TRANSFORM ION CYCLOTRON RESONANCE MASS SPECTROMETER

Science.gov (United States)

The cyclic heptapeptide microcystin toxins produced by a strain of Microcystis aeruginosa that has not been investigated previously were separated by liquid chromatography and identified by high-accuracy m/z measurements of their [M + H]+ ions and the fragment i...

Stability and delayed fragmentation of highly charged C60 trapped in a conic-electrode electrostatic ion resonator (ConeTrap)

International Nuclear Information System (INIS)

Bernard, J.; Wei, B.; Bourgey, A.; Bredy, R.; Chen, L.; Kerleroux, M.; Martin, S.; Montagne, G.; Salmoun, A.; Terpend-Ordaciere, B.

2007-01-01

We employed a conic-electrode electrostatic ion resonator (ConeTrap) to store the recoil ions (C 60 r+ ) resulting from collision between 56keV Ar 8+ ions and C 60 in order to study their stability over a long time range (several milliseconds). The originality of our method, based on the trapping of a single ion to preserve the detection in coincidence of all the products of the collision, is presented in detail. Our results show that C 60 ions produced in such collisions are stable in the considered observation time. By employing the ConeTrap as a secondary mass spectrometer in order to let the ions oscillate only for a single period, we have been able to observe delayed evaporation of cold C 60 3+ ions 20μs after the collision. We interpret quantitatively the relative yields of daughter ions with a cascade model in which the transition rates are estimated via the commonly used Arrhenius law, taking into account the contribution of the radiative decay

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.

Simultaneous quantification of poly-dispersed anionic, amphoteric and nonionic surfactants in simulated wastewater samples using C18 high-performance liquid chromatography-quadrupole ion-trap mass spectrometry

Science.gov (United States)

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

2005-01-01

This paper describes the development of a guantitative method for direct and simultaneous determination of three frequently encountered surfactants, amphoteric (cocoamphoacetate, CAA), anionic (sodium laureth sulfate, SLES), and nonionic (alcohol ethoxylate, AE) using a reversed-phase C18 HPLC coupled with an ESI ion-trap mass spectrometer (MS). Chemical composition, ionization characteristics and fragmentation pathways of the surfactants are presented. Positive ESI was effective for all three surfactants in agueous methanol buffered with ammonium acetate. The method enables rapid determinations in small sample volumes containing inorganic salts (up to 3.5 g L(-1)) and multiple classes of surfactants with high specificity by applying surfactant specific tandem mass spectrometric strategies. It has dynamic linear ranges of 2-60, 1.5-40, 0.8-56 mg L(-1) with R2 egual or greater than 0.999, 0.98 and 0.999 (10 microL injection) for CAA, SLES, and AE, respectively.

Fragment profiling of low molecular weight heparins using reversed phase ion pair liquid chromatography-electrospray mass spectrometry.

Science.gov (United States)

Xu, Xiaohui; Li, Daoyuan; Chi, Lequan; Du, Xuzhao; Bai, Xue; Chi, Lianli

2015-04-30

Low molecular weight heparins (LMWHs) are linear and highly charged carbohydrate polymers prepared by chemical or enzymatic depolymerization of heparin. Compared to unfractionated heparin (UFH), LMWHs are prevalently used as clinical anticoagulant drugs due to their lower side effects and better bioavailability. The work presented herein provides a rapid and powerful fragment mapping method for structural characterization of LMWHs. The chain fragments of two types of LMWHs, enoxaparin and nadroparin, were generated by controlled enzymatic digestion with each of heparinase I (Hep I, Enzyme Commission (EC) # 4.2.2.7), heparinase II (Hep II, no EC # assigned) and heparinase III (Hep III, EC # 4.2.2.8). Reversed phase ion pair high performance liquid chromatography (RPIP-HPLC) coupled with electrospray ion trap time-of-flight mass spectrometry (ESI-IT-TOF-MS) was used to profile the oligosaccharide chains ranging from disaccharides to decasaccharides. A database containing all theoretical structural compositions was established to assist the mass spectra interpretation. The six digests derived by three enzymes from two types of LMWHs exhibited distinguishable fingerprinting patterns. And a total of 94 enoxaparin fragments and 109 nadroparin fragments were detected and identified. Besides the common LMWH oligosaccharides, many components containing characteristic LMWH structures such as saturated L-idopyranosuronic acid, 2,5-anhydro-D-mannitol, 1,6-anhydro-D-aminopyranose, as well as odd number oligosaccharides were also revealed. Quantitative comparison of major components derived from innovator and generic nadroparin products was presented. This approach to profile LMWHs' fragments offers a highly reproducible, high resolution and information-rich tool for evaluating the quality of this category of anticoagulant drugs or comparing structural similarities among samples from various sources. Copyright © 2015 Elsevier Ltd. All rights reserved.

Quantum information processing with trapped ions

International Nuclear Information System (INIS)

Haeffner, H.; Haensel, W.; Rapol, U.; Koerber, T.; Benhelm, J.; Riebe, M.; Chek-al-Kar, D.; Schmidt-Kaler, F.; Becher, C.; Roos, C.; Blatt, R.

2005-01-01

Single Ca + ions and crystals of Ca + ions are confined in a linear Paul trap and are investigated for quantum information processing. Here we report on recent experimental advancements towards a quantum computer with such a system. Laser-cooled trapped ions are ideally suited systems for the investigation and implementation of quantum information processing as one can gain almost complete control over their internal and external degrees of freedom. The combination of a Paul type ion trap with laser cooling leads to unique properties of trapped cold ions, such as control of the motional state down to the zero-point of the trapping potential, a high degree of isolation from the environment and thus a very long time available for manipulations and interactions at the quantum level. The very same properties make single trapped atoms and ions well suited for storing quantum information in long lived internal states, e.g. by encoding a quantum bit (qubit) of information within the coherent superposition of the S 1/2 ground state and the metastable D 5/2 excited state of Ca + . Recently we have achieved the implementation of simple algorithms with up to 3 qubits on an ion-trap quantum computer. We will report on methods to implement single qubit rotations, the realization of a two-qubit universal quantum gate (Cirac-Zoller CNOT-gate), the deterministic generation of multi-particle entangled states (GHZ- and W-states), their full tomographic reconstruction, the realization of deterministic quantum teleportation, its quantum process tomography and the encoding of quantum information in decoherence-free subspaces with coherence times exceeding 20 seconds. (author)

Sawtooth activity of the ion cloud in an electron-beam ion trap

International Nuclear Information System (INIS)

Radtke, R.; Biedermann, C.

2003-01-01

The dynamics of an ensemble of highly charged Ar and Ba ions in an electron-beam ion trap (EBIT) was studied by recording time-resolved x-ray spectra emitted from trapped ions. Sawtoothlike signatures manifest in the spectra for a variety of EBIT operating conditions indicating a sudden collapse of the ion inventory in the trap. The collapse occurs on a time scale of approximately 100 ms and the evolution of the sawteeth is very sensitive to parameters such as electron-beam current and axial trap depth. Analysis of the measurements is based on a time-dependent calculation of the trapping process showing that sawtooth activity is caused by the feedback between the low-Z argon and high-Z barium ions. This unexpected behavior demonstrates the importance of nonlinear effects in electron-beam traps containing more than a single ion species

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.

[Confirming Indicators of Qualitative Results by Chromatography-mass Spectrometry in Biological Samples].

Science.gov (United States)

Liu, S D; Zhang, D M; Zhang, W; Zhang, W F

2017-04-01

Because of the exist of complex matrix, the confirming indicators of qualitative results for toxic substances in biological samples by chromatography-mass spectrometry are different from that in non-biological samples. Even in biological samples, the confirming indicators are different in various application areas. This paper reviews the similarities and differences of confirming indicators for the analyte in biological samples by chromatography-mass spectrometry in the field of forensic toxicological analysis and other application areas. These confirming indicators include retention time （RT）, relative retention time （RRT）, signal to noise （S/N）, characteristic ions, relative abundance of characteristic ions, parent ion-daughter ion pair and abundance ratio of ion pair, etc. Copyright© by the Editorial Department of Journal of Forensic Medicine.

Ball-grid array architecture for microfabricated ion traps

Science.gov (United States)

Guise, Nicholas D.; Fallek, Spencer D.; Stevens, Kelly E.; Brown, K. R.; Volin, Curtis; Harter, Alexa W.; Amini, Jason M.; Higashi, Robert E.; Lu, Son Thai; Chanhvongsak, Helen M.; Nguyen, Thi A.; Marcus, Matthew S.; Ohnstein, Thomas R.; Youngner, Daniel W.

2015-05-01

State-of-the-art microfabricated ion traps for quantum information research are approaching nearly one hundred control electrodes. We report here on the development and testing of a new architecture for microfabricated ion traps, built around ball-grid array (BGA) connections, that is suitable for increasingly complex trap designs. In the BGA trap, through-substrate vias bring electrical signals from the back side of the trap die to the surface trap structure on the top side. Gold-ball bump bonds connect the back side of the trap die to an interposer for signal routing from the carrier. Trench capacitors fabricated into the trap die replace area-intensive surface or edge capacitors. Wirebonds in the BGA architecture are moved to the interposer. These last two features allow the trap die to be reduced to only the area required to produce trapping fields. The smaller trap dimensions allow tight focusing of an addressing laser beam for fast single-qubit rotations. Performance of the BGA trap as characterized with 40Ca+ ions is comparable to previous surface-electrode traps in terms of ion heating rate, mode frequency stability, and storage lifetime. We demonstrate two-qubit entanglement operations with 171Yb+ ions in a second BGA trap.

Ball-grid array architecture for microfabricated ion traps

International Nuclear Information System (INIS)

Guise, Nicholas D.; Fallek, Spencer D.; Stevens, Kelly E.; Brown, K. R.; Volin, Curtis; Harter, Alexa W.; Amini, Jason M.; Higashi, Robert E.; Lu, Son Thai; Chanhvongsak, Helen M.; Nguyen, Thi A.; Marcus, Matthew S.; Ohnstein, Thomas R.; Youngner, Daniel W.

2015-01-01

State-of-the-art microfabricated ion traps for quantum information research are approaching nearly one hundred control electrodes. We report here on the development and testing of a new architecture for microfabricated ion traps, built around ball-grid array (BGA) connections, that is suitable for increasingly complex trap designs. In the BGA trap, through-substrate vias bring electrical signals from the back side of the trap die to the surface trap structure on the top side. Gold-ball bump bonds connect the back side of the trap die to an interposer for signal routing from the carrier. Trench capacitors fabricated into the trap die replace area-intensive surface or edge capacitors. Wirebonds in the BGA architecture are moved to the interposer. These last two features allow the trap die to be reduced to only the area required to produce trapping fields. The smaller trap dimensions allow tight focusing of an addressing laser beam for fast single-qubit rotations. Performance of the BGA trap as characterized with 40 Ca + ions is comparable to previous surface-electrode traps in terms of ion heating rate, mode frequency stability, and storage lifetime. We demonstrate two-qubit entanglement operations with 171 Yb + ions in a second BGA trap

Quantum computing with trapped ions

Energy Technology Data Exchange (ETDEWEB)

Hughes, R.J.

1998-01-01

The significance of quantum computation for cryptography is discussed. Following a brief survey of the requirements for quantum computational hardware, an overview of the ion trap quantum computation project at Los Alamos is presented. The physical limitations to quantum computation with trapped ions are analyzed and an assessment of the computational potential of the technology is made.

Scaling ion traps for quantum computing

CSIR Research Space (South Africa)

Uys, H

2010-09-01

Full Text Available The design, fabrication and preliminary testing of a chipscale, multi-zone, surface electrode ion trap is reported. The modular design and fabrication techniques used are anticipated to advance scalability of ion trap quantum computing architectures...

High-accuracy mass determination of unstable nuclei with a Penning trap mass spectrometer

CERN Multimedia

2002-01-01

The mass of a nucleus is its most fundamental property. A systematic study of nuclear masses as a function of neutron and proton number allows the observation of collective and single-particle effects in nuclear structure. Accurate mass data are the most basic test of nuclear models and are essential for their improvement. This is especially important for the astrophysical study of nuclear synthesis. In order to achieve the required high accuracy, the mass of ions captured in a Penning trap is determined via their cyclotron frequency $ \

Trapped ion depletion by anomalous diffusion due to the dissipative trapped ion instability

International Nuclear Information System (INIS)

Wimmel, H.K.

1975-07-01

At high temperatures the KADOMTSEV-POGUTSE diffusion in tokamaks can become so large as to cause depletion of trapped ions if these are replaced with free ions by means of collisions rather than being directly recycled or injected. Modified KADOMTSEV-POGUTSE diffusion formulas are employed in order to estimate this effect in the cases of classical and anomalous collisions. The maximum trapped-ion depletion is estimated from the PENROSE stability condition. For anomalous collisions a BOHM-type diffusion is derived. Numerical examples are given for JET-like parameters (JET = Joint European Torus). Depletion is found to reduce diffusion by factors of up to 10 and more. (orig.) [de

Ion trace detection algorithm to extract pure ion chromatograms to improve untargeted peak detection quality for liquid chromatography/time-of-flight mass spectrometry-based metabolomics data.

Science.gov (United States)

Wang, San-Yuan; Kuo, Ching-Hua; Tseng, Yufeng J

2015-03-03

Able to detect known and unknown metabolites, untargeted metabolomics has shown great potential in identifying novel biomarkers. However, elucidating all possible liquid chromatography/time-of-flight mass spectrometry (LC/TOF-MS) ion signals in a complex biological sample remains challenging since many ions are not the products of metabolites. Methods of reducing ions not related to metabolites or simply directly detecting metabolite related (pure) ions are important. In this work, we describe PITracer, a novel algorithm that accurately detects the pure ions of a LC/TOF-MS profile to extract pure ion chromatograms and detect chromatographic peaks. PITracer estimates the relative mass difference tolerance of ions and calibrates the mass over charge (m/z) values for peak detection algorithms with an additional option to further mass correction with respect to a user-specified metabolite. PITracer was evaluated using two data sets containing 373 human metabolite standards, including 5 saturated standards considered to be split peaks resultant from huge m/z fluctuation, and 12 urine samples spiked with 50 forensic drugs of varying concentrations. Analysis of these data sets show that PITracer correctly outperformed existing state-of-art algorithm and extracted the pure ion chromatograms of the 5 saturated standards without generating split peaks and detected the forensic drugs with high recall, precision, and F-score and small mass error.

Recent advances of liquid chromatography-(tandem) mass spectrometry in clinical and forensic toxicology.

Science.gov (United States)

Peters, Frank T

2011-01-01

Liquid chromatography (LC) coupled to mass spectrometry (MS) or tandem mass spectrometry (MS/MS) has become increasingly important in clinical and forensic toxicology as well as doping control and is now a robust and reliable technique for routine analysis in these fields. In recent years, methods for LC-MS(/MS)-based systematic toxicological analysis using triple quadrupole or ion trap instruments have been considerably improved and a new screening approach based on high-resolution MS analysis using benchtop time-of-flight MS instruments has been developed. Moreover, many applications for so-called multi-target screening and/or quantification of drugs, poisons, and or their metabolites in various biomatrices have been published. The present paper will provide an overview and discuss these recent developments focusing on the literature published after 2006. Copyright © 2010 The Canadian Society of Clinical Chemists. Published by Elsevier Inc. All rights reserved.

Comparison of Gas Chromatography-Mass Spectrometry and Gas Chromatography-Tandem Mass Spectrometry with Electron Ionization and Negative-Ion Chemical Ionization for Analyses of Pesticides at Trace Levels in Atmospheric Samples

Directory of Open Access Journals (Sweden)

Renata Raina

2008-01-01

Full Text Available A comparison of detection limits of gas chromatography-mass spectrometry (GC-MS in selected ion monitoring (SIM with gas chromatography-tandem mass spectrometry (GC-MS/MS in selected reaction monitoring (SRM mode with both electron ionization (EI and negative-ion chemical ionization (NCI are presented for over 50 pesticides ranging from organochlorines (OCs, organophosphorus pesticides (OPs and pre-emergent herbicides used in the Canadian prairies (triallate, trifluralin, ethalfluralin. The developed GC-EI/SIM, GC-NCI/SIM, and GC-NCI/SRM are suitable for the determination of pesticides in air sample extracts at concentrations <100 pg µL -1 (< 100 pg m -3 in air. No one method could be used to analyze the range of pre-emergent herbicides, OPs, and OCs investigated. In general GC-NCI/SIM provided the lowest method detection limits (MDLs commonly 2.5-10 pg µL -1 along with best confirmation (<25% RSD of ion ratio, while GC-NCI/SRM is recommended for use where added selectivity or confirmation is required (such as parathion-ethyl, tokuthion, carbofenothion. GC-EI/SRM at concentration < 100 pg µL -1 was not suitable for most pesticides. GC-EI/SIM was more prone to interference issues than NCI methods, but gave good sensitivity (MDLs 1-10 pg µL -1 for pesticides with poor NCI response (OPs: sulfotep, phorate, aspon, ethion, and OCs: alachlor, aldrin, perthane, and DDE, DDD, DDT.

Trapped Ion Qubits

Energy Technology Data Exchange (ETDEWEB)

Maunz, Peter Lukas Wilhelm

2017-04-01

Qubits can be encoded in clock states of trapped ions. These states are well isolated from the environment resulting in long coherence times [1] while enabling efficient high-fidelity qubit interactions mediated by the Coulomb coupled motion of the ions in the trap. Quantum states can be prepared with high fidelity and measured efficiently using fluorescence detection. State preparation and detection with 99.93% fidelity have been realized in multiple systems [1,2]. Single qubit gates have been demonstrated below rigorous fault-tolerance thresholds [1,3]. Two qubit gates have been realized with more than 99.9% fidelity [4,5]. Quantum algorithms have been demonstrated on systems of 5 to 15 qubits [6–8].

Ion Motion Stability in Asymmetric Surface Electrode Ion Traps

Science.gov (United States)

Shaikh, Fayaz; Ozakin, Arkadas

2010-03-01

Many recently developed designs of the surface electrode ion traps for quantum information processing have asymmetry built into their geometries. The asymmetry helps rotate the trap axes to angles with respect to electrode surface that facilitate laser cooling of ions but introduces a relative angle between the RF and DC fields and invalidates the classical stability analysis of the symmetric case for which the equations of motion are decoupled. For asymmetric case the classical motion of a single ion is given by a coupled, multi-dimensional version of Mathieu's equation. In this poster we discuss the stability diagram of asymmetric surface traps by performing an approximate multiple scale perturbation analysis of the coupled Mathieu equations, and validate the results with numerical simulations. After obtaining the stability diagram for the linear fields, we simulate the motion of an ion in a given asymmetric surface trap, utilizing a method-of-moments calculation of the electrode fields. We obtain the stability diagram and compare it with the ideal case to find the region of validity. Finally, we compare the results of our stability analysis to experiments conducted on a microfabricated asymmetric surface trap.

Extending the applicability of an open-ring trap to perform experiments with a single laser-cooled ion

Energy Technology Data Exchange (ETDEWEB)

Cornejo, J. M.; Colombano, M.; Doménech, J.; Rodríguez, D., E-mail: danielrodriguez@ugr.es [Departamento de Física Atómica, Molecular y Nuclear, Universidad de Granada, 18071 Granada (Spain); Block, M. [GSI Helmholtzzentrum für Schwerionenforschung GmbH, 64291 Darmstadt (Germany); Helmholtz-Institut Mainz, 55099 Mainz (Germany); Institut für Kernchemie, University of Mainz, 55099 Mainz (Germany); Delahaye, P. [Grand Accélérateur National d’Ions Lourds, 14000 Caen (France)

2015-10-15

A special ion trap was initially built up to perform β-ν correlation experiments with radioactive ions. The trap geometry is also well suited to perform experiments with laser-cooled ions, serving for the development of a new type of Penning trap, in the framework of the project TRAPSENSOR at the University of Granada. The goal of this project is to use a single {sup 40}Ca{sup +} ion as detector for single-ion mass spectrometry. Within this project and without any modification to the initial electrode configuration, it was possible to perform Doppler cooling on {sup 40}Ca{sup +} ions, starting from large clouds and reaching single ion sensitivity. This new feature of the trap might be important also for other experiments with ions produced at radioactive ion beam facilities. In this publication, the trap and the laser system will be described, together with their performance with respect to laser cooling applied to large ion clouds down to a single ion.

Microfabricated Microwave-Integrated Surface Ion Trap

Science.gov (United States)

Revelle, Melissa C.; Blain, Matthew G.; Haltli, Raymond A.; Hollowell, Andrew E.; Nordquist, Christopher D.; Maunz, Peter

2017-04-01

Quantum information processing holds the key to solving computational problems that are intractable with classical computers. Trapped ions are a physical realization of a quantum information system in which qubits are encoded in hyperfine energy states. Coupling the qubit states to ion motion, as needed for two-qubit gates, is typically accomplished using Raman laser beams. Alternatively, this coupling can be achieved with strong microwave gradient fields. While microwave radiation is easier to control than a laser, it is challenging to precisely engineer the radiated microwave field. Taking advantage of Sandia's microfabrication techniques, we created a surface ion trap with integrated microwave electrodes with sub-wavelength dimensions. This multi-layered device permits co-location of the microwave antennae and the ion trap electrodes to create localized microwave gradient fields and necessary trapping fields. Here, we characterize the trap design and present simulated microwave performance with progress towards experimental results. This research was funded, in part, by the Office of the Director of National Intelligence (ODNI), Intelligence Advanced Research Projects Activity (IARPA).

Ion Trap Quantum Computing

Science.gov (United States)

2011-12-01

variations of ion traps, including (1) the cylindrically symmetric 3D ring trap; (2) the linear trap with a combination of cavity QED; (#) the symmetric...concepts of quantum information. The major demonstration has been the test of a Bell inequality as demonstrated by Rowe et al. [50] and a decoherence...famous physics experiment [62]. Wolfgang Paul demonstrated a similar apparatus during his Nobel Prize speech [63]. This device is hyperbolic- parabolic

Chemical speciation analysis for bromine in tap water by ion chromatography/inductively coupled plasma-mass spectrometry and electrospray ionization-mass spectrometry

International Nuclear Information System (INIS)

Kurata, Keigo; Suzuki, Yoshinari; Furuta, Naoki

2010-01-01

Bromide compounds in tap water were measured by using a hyphenated technique of ion chromatography coupled with inductively coupled plasma - mass spectrometry (IC/ICP-MS) and electrospray ionization mass spectrometry (ESI-MS). We identified bromide ion (Br - ), bromate ion (BrO 3 - ), bromochloroacetic acid (BCAA), dibromoacetic acid (DBAA) and bromodichloroacetic acid (BDCAA) by standard addition methods with IC/ICP-MS. Moreover, we identified BCAA and BDCAA by ESI-MS after separation with IC. Br - , BrO 3 - , BCAA, DBAA and BDCAA in tap water collected from around Tokyo area were quantified by IC/ICP-MS. The maximum concentration of BrO 3 - (1.8 ng mL -1 ) was observed in tap water collected from Bunkyo-ku, although this concentration was lower than 10 ng mL -1 , which is the regulated concentration in Japan. DBAA, which is regulated by United States Environmental Protection Agency, was detected in tap water collected from all sites, except for Ome. However, since BrO 3 - and DBAA are toxic, it is necessary to continue monitoring bromide compounds in tap water. (author)

Towards a wire-mediated coupling of trapped ions

Science.gov (United States)

Clark, Robert; Lee, Tony; Daniilidis, Nikos; Sankaranarayanan, S.; Häffner, Hartmut

2008-03-01

Most schemes for ion trap quantum computation rely upon the exchange of information between ion-qubits in the same trap region, mediated by their shared vibrational mode. An alternative way to achieve this coupling is via the image charges induced in a conducting wire that connects different traps. This was shown to be theoretically possible by Heinzen and Wineland in 1990, but some important practical questions have remained unaddressed. Among these are how the presence of such a wire modifies the motional frequencies and heating rates of trapped ions. We thus have realized this system as a 1 mm-scale planar segmented rf ion trap combined with an electrically floating gold wire of 25 microns diameter and length 1 cm. This wire is placed close to trapped ions using a set of piezoelectric nanopositioners. We present here experimental measurements of the motional frequencies and heating rates of a single trapped calcium ion as the wire is moved from 3.0 mm to 0.2 mm away from the ion. We discuss the implications of these results for achieving wire-mediated coupling in the present apparatus, as well as in future improved setups.

The Ramsey method in high-precision mass spectrometry with Penning traps Experimental results

CERN Document Server

George, S; Herfurth, F; Herlert, A; Kretzschmar, M; Nagy, S; Schwarz, S; Schweikhard, L; Yazidjian, C

2007-01-01

The highest precision in direct mass measurements is obtained with Penning trap mass spectrometry. Most experiments use the interconversion of the magnetron and cyclotron motional modes of the stored ion due to excitation by external radiofrequency-quadrupole fields. In this work a new excitation scheme, Ramsey's method of time-separated oscillatory fields, has been successfully tested. It has been shown to reduce significantly the uncertainty in the determination of the cyclotron frequency and thus of the ion mass of interest. The theoretical description of the ion motion excited with Ramsey's method in a Penning trap and subsequently the calculation of the resonance line shapes for different excitation times, pulse structures, and detunings of the quadrupole field has been carried out in a quantum mechanical framework and is discussed in detail in the preceding article in this journal by M. Kretzschmar. Here, the new excitation technique has been applied with the ISOLTRAP mass spectrometer at ISOLDE/CERN fo...

Arsenic speciation by liquid chromatography coupled with ionspray tandem mass spectrometry

DEFF Research Database (Denmark)

Corr, J. J.; Larsen, Erik Huusfeldt

1996-01-01

Ionspray mass spectrometry, a well established organic analysis technique, has been coupled to high-performance liquid chromatography for speciation of organic arsenic compounds, The ionspray source and differentially pumped interface of the mass spectrometer were operated in dual modes...... fragmentation patterns showing molecular dissociation through an expected common product ion were obtained for the four arsenosugars, Molecular mode detection was utilized for qualitative verification of speciation analysis by high-performance liquid chromatography coupled to inductively coupled plasma mass...

Ion traps fabricated in a CMOS foundry

Energy Technology Data Exchange (ETDEWEB)

Mehta, K. K.; Ram, R. J. [Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Eltony, A. M.; Chuang, I. L. [Center for Ultracold Atoms, Research Laboratory of Electronics and Department of Physics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Bruzewicz, C. D.; Sage, J. M., E-mail: jsage@ll.mit.edu; Chiaverini, J., E-mail: john.chiaverini@ll.mit.edu [Lincoln Laboratory, Massachusetts Institute of Technology, Lexington, Massachusetts 02420 (United States)

2014-07-28

We demonstrate trapping in a surface-electrode ion trap fabricated in a 90-nm CMOS (complementary metal-oxide-semiconductor) foundry process utilizing the top metal layer of the process for the trap electrodes. The process includes doped active regions and metal interconnect layers, allowing for co-fabrication of standard CMOS circuitry as well as devices for optical control and measurement. With one of the interconnect layers defining a ground plane between the trap electrode layer and the p-type doped silicon substrate, ion loading is robust and trapping is stable. We measure a motional heating rate comparable to those seen in surface-electrode traps of similar size. This demonstration of scalable quantum computing hardware utilizing a commercial CMOS process opens the door to integration and co-fabrication of electronics and photonics for large-scale quantum processing in trapped-ion arrays.

The low-energy-beam and ion-trap facility at NSCL/MSU

Energy Technology Data Exchange (ETDEWEB)

Schwarz, S. E-mail: schwarz@nscl.msu.edu; Bollen, G.; Lawton, D.; Lofy, P.; Morrissey, D.J.; Ottarson, J.; Ringle, R.; Schury, P.; Sun, T.; Varentsov, V.; Weissman, L

2003-05-01

The goal of the low-energy-beam and ion-trap (LEBIT) project is to convert the high-energy exotic beams produced at NSCL/MSU into low-energy low-emittance beams. This beam manipulation will be done by a combination of a high-pressure gas stopping cell and a radio-frequency quadrupole ion accumulator and buncher. The first experimental program to profit from the low-energy beams produced will be high-accuracy mass measurements on very short-lived isotopes with a 9.4 T Penning trap system. The status of the project is presented with an emphasis on recent stopping tests range of 100 MeV/A {sup 40}Ar{sup 18+} ions in a gas cell.

The low-energy-beam and ion-trap facility at NSCL/MSU

International Nuclear Information System (INIS)

Schwarz, S.; Bollen, G.; Lawton, D.; Lofy, P.; Morrissey, D.J.; Ottarson, J.; Ringle, R.; Schury, P.; Sun, T.; Varentsov, V.; Weissman, L.

2003-01-01

The goal of the low-energy-beam and ion-trap (LEBIT) project is to convert the high-energy exotic beams produced at NSCL/MSU into low-energy low-emittance beams. This beam manipulation will be done by a combination of a high-pressure gas stopping cell and a radio-frequency quadrupole ion accumulator and buncher. The first experimental program to profit from the low-energy beams produced will be high-accuracy mass measurements on very short-lived isotopes with a 9.4 T Penning trap system. The status of the project is presented with an emphasis on recent stopping tests range of 100 MeV/A 40 Ar 18+ ions in a gas cell

Ion Trapping, Storage, and Ejection in Structures for Lossless Ion Manipulations.

Science.gov (United States)

Zhang, Xinyu; Garimella, Sandilya V B; Prost, Spencer A; Webb, Ian K; Chen, Tsung-Chi; Tang, Keqi; Tolmachev, Aleksey V; Norheim, Randolph V; Baker, Erin S; Anderson, Gordon A; Ibrahim, Yehia M; Smith, Richard D

2015-06-16

A new Structures for Lossless Ion Manipulations (SLIM) module, having electrode arrays patterned on a pair of parallel printed circuit boards (PCB), was constructed and utilized to investigate capabilities for ion trapping at a pressure of 4 Torr. Positive ions were confined by application of RF voltages to a series of inner rung electrodes with alternating phase on adjacent electrodes, in conjunction with positive DC potentials on surrounding guard electrodes on each PCB. An axial DC field was also introduced by stepwise varying the DC potentials applied to the inner rung electrodes to control the ion transport and accumulation inside the ion trapping region. We show that ions can be trapped and accumulated with up to 100% efficiency, stored for at least 5 h with no significant losses, and then could be rapidly ejected from the SLIM trap. The present results provide a foundation for the development of much more complex SLIM devices that facilitate extended ion manipulations.

High-fidelity operations in microfabricated surface ion traps

Science.gov (United States)

Maunz, Peter

2017-04-01

Trapped ion systems can be used to implement quantum computation as well as quantum simulation. To scale these systems to the number of qubits required to solve interesting problems in quantum chemistry or solid state physics, the use of large multi-zone ion traps has been proposed. Microfabrication enables the realization of surface electrode ion traps with complex electrode structures. While these traps may enable the scaling of trapped ion quantum information processing (QIP), microfabricated ion traps also pose several technical challenges. Here, we present Sandia's trap fabrication capabilities and characterize trap properties and shuttling operations in our most recent high optical access trap (HOA-2). To demonstrate the viability of Sandia's microfabricated ion traps for QIP we realize robust single and two-qubit gates and characterize them using gate set tomography (GST). In this way we are able to demonstrate the first single qubit gates with a diamond norm of less than 1 . 7 ×10-4 , below a rigorous fault tolerance threshold for general noise of 6 . 7 ×10-4. Furthermore, we realize Mølmer-Sørensen two qubit gates with a process fidelity of 99 . 58(6) % also characterized by GST. These results demonstrate the viability of microfabricated surface traps for state of the art quantum information processing demonstrations. This research was funded, in part, by the Office of the Director of National Intelligence (ODNI), Intelligence Advanced Research Projects Activity (IARPA).

Achieving Translationally Invariant Trapped Ion Rings

Science.gov (United States)

Urban, Erik; Li, Hao-Kun; Noel, Crystal; Hemmerling, Boerge; Zhang, Xiang; Haeffner, Hartmut

2017-04-01

We present the design and implementation of a novel surface ion trap design in a ring configuration. By eliminating the need for wire bonds through the use of electrical vias and using a rotationally invariant electrode configuration, we have realized a trap that is able to trap up to 20 ions in a ring geometry 45um in diameter, 400um above the trap surface. This large trapping height to ring diameter ratio allows for global addressing of the ring with both lasers and electric fields in the chamber, thereby increasing our ability to control the ring as a whole. Applying compensating electric fields, we measure very low tangential trap frequencies (less than 20kHz) corresponding to rotational barriers down to 4mK. This measurement is currently limited by the temperature of the ions but extrapolation indicates the barrier can be reduced much further with more advanced cooling techniques. Finally, we show that we are able to reduce this energy barrier sufficiently such that the ions are able to overcome it either through thermal motion or rotational motion and delocalize over the full extent of the ring. This work was funded by the Keck Foundation and the NSF.

The nonlinear dustgrain-charging on large amplitude electrostatic waves in a dusty plasma with trapped ions

Directory of Open Access Journals (Sweden)

Y.-N. Nejoh

1998-01-01

Full Text Available The nonlinear dustgrain-charging and the influence of the ion density and temperature on electrostatic waves in a dusty plasma having trapped ions are investigated by numerical calculation. This work is the first approach to the effect of trapped ions in dusty plasmas. The nonlinear variation of the dust-charge is examined, and it is shown that the characteristics of the dustcharge number sensitively depend on the plasma potential, Mach number, dust mass-to-charge ratio, trapped ion density and temperature. The fast and slow wave modes are shown in this system. An increase of the ion temperature decreases the dust-charging rate and the propagation speed of ion waves. It is found that the existence of electrostatic ion waves sensitively depends on the ion to electron density ratio. New findings of the variable-charge dust grain particles, ion density and temperature in a dusty plasma with trapped ions are predicted.

Highly charged ion trapping and cooling

International Nuclear Information System (INIS)

Beck, B. R.; Church, D. A.; Gruber, L.; Holder, J. P.; Schneider, D.; Steiger, J.

1998-01-01

In the past few years a cryogenic Penning trap (RETRAP) has been operational at the Electron Beam Ion Trap (EBIT) facility at Lawrence Livermore National Laboratory. The combination of RETRAP and EBIT provides a unique possibility of producing and re-trapping highly charged ions and cooling them to very low temperatures. Due to the high Coulomb potentials in such an ensemble of cold highly charged ions the Coulomb coupling parameter (the ratio of Coulomb potential to the thermal energy) can easily reach values of 172 and more. To study such systems is not only of interest in astrophysics to simulate White Dwarf star interiors but opens up new possibilities in a variety of areas (e.g. laser spectroscopy), cold highly charged ion beams

Ejection of Coulomb Crystals from a Linear Paul Ion Trap for Ion-Molecule Reaction Studies.

Science.gov (United States)

Meyer, K A E; Pollum, L L; Petralia, L S; Tauschinsky, A; Rennick, C J; Softley, T P; Heazlewood, B R

2015-12-17

Coulomb crystals are being increasingly employed as a highly localized source of cold ions for the study of ion-molecule chemical reactions. To extend the scope of reactions that can be studied in Coulomb crystals-from simple reactions involving laser-cooled atomic ions, to more complex systems where molecular reactants give rise to multiple product channels-sensitive product detection methodologies are required. The use of a digital ion trap (DIT) and a new damped cosine trap (DCT) are described, which facilitate the ejection of Coulomb-crystallized ions onto an external detector for the recording of time-of-flight (TOF) mass spectra. This enables the examination of reaction dynamics and kinetics between Coulomb-crystallized ions and neutral molecules: ionic products are typically cotrapped, thus ejecting the crystal onto an external detector reveals the masses, identities, and quantities of all ionic species at a selected point in the reaction. Two reaction systems are examined: the reaction of Ca(+) with deuterated isotopologues of water, and the charge exchange between cotrapped Xe(+) with deuterated isotopologues of ammonia. These reactions are examples of two distinct types of experiment, the first involving direct reaction of the laser-cooled ions, and the second involving reaction of sympathetically-cooled heavy ions to form a mixture of light product ions. Extensive simulations are conducted to interpret experimental results and calculate optimal operating parameters, facilitating a comparison between the DIT and DCT approaches. The simulations also demonstrate a correlation between crystal shape and image shape on the detector, suggesting a possible means for determining crystal geometry for nonfluorescing ions.

Contribution to high-temperature chromatography and high-temperature-gas-chromatography-mass spectrometry of lipids

International Nuclear Information System (INIS)

Aichholz, R.

1998-04-01

This thesis describes the use of high temperature gas chromatography for the investigation of unusual triacylglycerols, cyanolipids and bees waxes. The used glass capillary columns were pretreated and coated with tailor made synthesized high temperature stable polysiloxane phases. The selective separation properties of the individual columns were tested with a synthetic lipid mixture. Suitable derivatization procedures for the gaschromatographic analyses of neutral lipids, containing multiple bonds as well as hydroxy-, epoxy-, and carboxyl groups, were developed and optimized. Therefore conjugated olefinic-, conjugated olefinic-acetylenic-, hydroxy-, epoxy-, and conjugated olefinic keto triacylglycerols in miscellaneous plant seed oils as well as hydroxy monoesters, diesters and hydroxy diesters in bees waxes could be analysed directly with high temperature gas chromatography for the first time. In order to elucidate the structures of separated lipid compounds, high temperature gas chromatography was coupled to mass spectrometry and tandem mass spectrometry, respectively. Comparable analytical systems are hitherto not commercial available. Therefore instrumental prerequisites for a comprehensive and detailed analysis of seed oils and bees waxes were established. In GC/MS commonly two ionization methods are used, electron impact ionization and chemical ionization. For the analysis of lipids the first is of limited use only. Due to intensive fragmentation only weak molecular ions are observed. In contrast, the chemical ionization yields in better results. Dominant quasi molecular ions enable an unambiguous determination of the molecular weight. Moreover, characteristic fragment ions provide important indications of certain structural features of the examined compounds. Nevertheless, in some cases the chromatographic resolution was insufficient in order to separate all compounds present in natural lipid mixtures. Owing to the selected detection with mass spectrometry

LEBIT - a low-energy beam and ion trap facility at NSCL/MSU

International Nuclear Information System (INIS)

Schwarz, S.; Bollen, G.; Davies, D.; Lawton, D.; Lofy, P.; Morrissey, D. J.; Ottarson, J.; Ringle, R.; Schury, P.; Sun, T.; VanWasshenova, D.; Sun, T.; Weissman, L.; Wiggins, D.

2003-01-01

The Low Energy Beam and Ion Trap (LEBIT) Project aims to convert the high-energy exotic beams produced at NSCL/MSU into low-energy low-emittance beams. A combination of a high-pressure gas stopping cell and a radiofrequency quadrupole (RFQ) ion accumulator and buncher will be used to manipulate the beam accordingly. High-accuracy mass measurements on very short-lived isotopes with a 9.4 T Penning trap system will be the first experimental program to profit from the low-energy beams. The status of the project is presented with a focus on recent stopping tests of 100-140 MeV/A Ar18+ ions in a gas cell

Qualitative and quantitative characterization of plasma proteins when incorporating traveling wave ion mobility into a liquid chromatography-mass spectrometry workflow for biomarker discovery: use of product ion quantitation as an alternative data analysis tool for label free quantitation.

Science.gov (United States)

Daly, Charlotte E; Ng, Leong L; Hakimi, Amirmansoor; Willingale, Richard; Jones, Donald J L

2014-02-18

Discovery of protein biomarkers in clinical samples necessitates significant prefractionation prior to liquid chromatography-mass spectrometry (LC-MS) analysis. Integrating traveling wave ion mobility spectrometry (TWIMS) enables in-line gas phase separation which when coupled with nanoflow liquid chromatography and data independent acquisition tandem mass spectrometry, confers significant advantages to the discovery of protein biomarkers by improving separation and inherent sensitivity. Incorporation of TWIMS leads to a packet of concentrated ions which ultimately provides a significant improvement in sensitivity. As a consequence of ion packeting, when present at high concentrations, accurate quantitation of proteins can be affected due to detector saturation effects. Human plasma was analyzed in triplicate using liquid-chromatography data independent acquisition mass spectrometry (LC-DIA-MS) and using liquid-chromatography ion-mobility data independent acquisition mass spectrometry (LC-IM-DIA-MS). The inclusion of TWIMS was assessed for the effect on sample throughput, data integrity, confidence of protein and peptide identification, and dynamic range. The number of identified proteins is significantly increased by an average of 84% while both the precursor and product mass accuracies are maintained between the modalities. Sample dynamic range is also maintained while quantitation is achieved for all but the most abundant proteins by incorporating a novel data interpretation method that allows accurate quantitation to occur. This additional separation is all achieved within a workflow with no discernible deleterious effect on throughput. Consequently, TWIMS greatly enhances proteome coverage and can be reliably used for quantification when using an alternative product ion quantification strategy. Using TWIMS in biomarker discovery in human plasma is thus recommended.

Status and outlook of CHIP-TRAP: The Central Michigan University high precision Penning trap

Science.gov (United States)

Redshaw, M.; Bryce, R. A.; Hawks, P.; Gamage, N. D.; Hunt, C.; Kandegedara, R. M. E. B.; Ratnayake, I. S.; Sharp, L.

2016-06-01

At Central Michigan University we are developing a high-precision Penning trap mass spectrometer (CHIP-TRAP) that will focus on measurements with long-lived radioactive isotopes. CHIP-TRAP will consist of a pair of hyperbolic precision-measurement Penning traps, and a cylindrical capture/filter trap in a 12 T magnetic field. Ions will be produced by external ion sources, including a laser ablation source, and transported to the capture trap at low energies enabling ions of a given m / q ratio to be selected via their time-of-flight. In the capture trap, contaminant ions will be removed with a mass-selective rf dipole excitation and the ion of interest will be transported to the measurement traps. A phase-sensitive image charge detection technique will be used for simultaneous cyclotron frequency measurements on single ions in the two precision traps, resulting in a reduction in statistical uncertainty due to magnetic field fluctuations.

Continued development of an atmospheric monitoring mass spectrometry system - task 2.2. Topical report, January 1, 1995 - December 31, 1995

International Nuclear Information System (INIS)

King, F.L.

1998-01-01

The objective of this project was the development of a mass spectrometric methodology applicable to the field determination of Volatile Organic Compounds (VOC's), such as BTEX components (Benzene, Toluene, Ethylbenzene, and Xylenes). A combination of chemical ionization, selective ion storage, and tandem mass spectrometry was planned to be employed with an ion trap mass spectrometry system. The Gas Chromatography Mass Spectrometry (GC-MS) interface on the ion trap system was modified to permit direct atmospheric monitoring. Through the use of tandem mass spectrometry methods the need for chromatographic separation would be eliminated reducing the overall size and complexity of the system

RPLC-lon-trap-FTMS method for lipid profiling of plasma: Method validation And application to p53 mutant mouse model

NARCIS (Netherlands)

Hu, C.; Dommelen, J. van; Heijden, R. van der; Spijksma, G.; Reijmers, T.H.; Wang, M.; Slee, E.; Lu, X.; Xu, G.; Greef, J. van der; Hankemeier, T.

2008-01-01

A reversed-phase liquid chromatography-linear ion trap-Fourier transform ion cyclotron resonance-mass spectrometry method was developed for the profiling of lipids in human and mouse plasma. With the use of a fused-core C₈ column and a binary gradient, more than 160 lipids belonging to

Study on elemental analysis of metal and ceramic samples by using laser ablation ion trap mass spectrometry(LAITMS)

International Nuclear Information System (INIS)

Cha, Hyung Ki; Park, Hyun Kook; Lee, Sang Chun; SONG, Kyu Seok

2002-01-01

Laser ablation ion trap mass spectrometry (LAITMS) was developed for the analysis of metal and ceramic samples. For this study, XeCl excimer laser (308 nm) was used for ablating the samples and ITMS was used as a detector. Samples were introduced from outside of a ring electrode and this way of sample introduction was very effective for solid samples when laser ablation was employed. Helium gas was used as a buffer gas, and its effect on sensitivity and some parameters (buffer gas pressure, ion storage time, and cut-off RF voltage) were studied. The optimized conditions were 1 x 10 - 4 Torr of buffer gas pressure, 100 ms of ion storage time and 1150 V p- p of cut-off RF voltage. From that results, copper (Cu) and molybdenum(Mo) metals were tested with LAITMS and the mass spectra of these pure metals were compared with the natural abundance of isotope ratio. We also examined ceramic samples (Al 2 O 3 , ZrO 2 ) and represented the result of elements analysis

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

Science.gov (United States)

Maurer, Hans H

2018-04-30

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

Space-charge effects in Penning ion traps

Science.gov (United States)

Porobić, T.; Beck, M.; Breitenfeldt, M.; Couratin, C.; Finlay, P.; Knecht, A.; Fabian, X.; Friedag, P.; Fléchard, X.; Liénard, E.; Ban, G.; Zákoucký, D.; Soti, G.; Van Gorp, S.; Weinheimer, Ch.; Wursten, E.; Severijns, N.

2015-06-01

The influence of space-charge on ion cyclotron resonances and magnetron eigenfrequency in a gas-filled Penning ion trap has been investigated. Off-line measurements with K39+ using the cooling trap of the WITCH retardation spectrometer-based setup at ISOLDE/CERN were performed. Experimental ion cyclotron resonances were compared with ab initio Coulomb simulations and found to be in agreement. As an important systematic effect of the WITCH experiment, the magnetron eigenfrequency of the ion cloud was studied under increasing space-charge conditions. Finally, the helium buffer gas pressure in the Penning trap was determined by comparing experimental cooling rates with simulations.

Implementation schemes for unsharp measurements with trapped ions

CSIR Research Space (South Africa)

Choudhary, SK

2013-01-01

Full Text Available trapped ion. The schemes rely on introducing weak entanglement between the state of a target ion and that of an auxiliary ion, using standard ion-trap quantum logic operations, and then realizing an unsharp measurement through projective measurement...

The low-energy-beam and ion-trap facility at NSCL/MSU

CERN Document Server

Schwarz, S; Lawton, D; Lofy, P; Morrissey, D J; Ottarson, J; Ringle, R; Schury, P; Sun, T; Varentsov, V; Weissman, L

2003-01-01

The goal of the low-energy-beam and ion-trap (LEBIT) project is to convert the high-energy exotic beams produced at NSCL/MSU into low-energy low-emittance beams. This beam manipulation will be done by a combination of a high-pressure gas stopping cell and a radio-frequency quadrupole ion accumulator and buncher. The first experimental program to profit from the low-energy beams produced will be high-accuracy mass measurements on very short-lived isotopes with a 9.4 T Penning trap system. The status of the project is presented with an emphasis on recent stopping tests range of 100 MeV/A sup 4 sup 0 Ar sup 1 sup 8 sup + ions in a gas cell.

Ion trapping in the high-energy storage ring HESR

Energy Technology Data Exchange (ETDEWEB)

Hinterberger, Frank [Bonn Univ. (Germany). Helmholtz-Institut fuer Strahlen- und Kernphysik

2011-10-15

The problem of ion trapping in the high-energy storage ring HESR is studied in the present report. Positive ions are trapped in the negative potential well of the antiproton beam. The ions are produced by the interaction between the antiproton beam and the residual gas. The adverse effects of ion trapping like tune shifts, tune spreads and coherent instabilities are reviewed. The ion production rate by ionization of the residual gas molecules is estimated. The negative potential well and the corresponding electric fields of the antiproton beam are evaluated in order to study the transverse and longitudinal motion of the ions and the accumulation in trapping pockets. The removal of ions can be achieved using clearing electrodes and under certain conditions resonant transverse beam shaking. Diagnostic tools and measurements of trapped ion effects are sketched. (orig.)

Ion Chromatography Applications in Wastewater Analysis

Directory of Open Access Journals (Sweden)

Rajmund Michalski

2018-02-01

Full Text Available Wastewater analysis is an important area in analytical and environmental chemistry. It can be performed with both the classic wet methods and instrumental techniques. The development of new methods, and modification of the existing ones, constitute a major task for researchers. Ion chromatography plays a predominant role in ion determinations with the instrumental methods. It offers several advantages over the conventional methods, such as simultaneous determinations of alkali and alkaline earth cations and ammonia. Ammonium ions cannot be determined by spectroscopic methods. Ion chromatography has been accepted world-wide as a reference method for analyzing anions and cations in water and wastewater due to the fact that it enables the replacement of several individual wet chemistry methods for common ions with one instrumental technique. The following article describes the principles of ion chromatography, such as stationary phases, eluents, detectors, and sample preparation methods. Moreover, the applications of ion chromatography in wastewater analyses and international standards are presented.

Cryptography, quantum computation and trapped ions

Energy Technology Data Exchange (ETDEWEB)

Hughes, Richard J.

1998-03-01

The significance of quantum computation for cryptography is discussed. Following a brief survey of the requirements for quantum computational hardware, an overview of the ion trap quantum computation project at Los Alamos is presented. The physical limitations to quantum computation with trapped ions are analyzed and an assessment of the computational potential of the technology is made.

First direct mass measurements on nobelium and lawrencium with the Penning trap mass spectrometer SHIPTRAP

Energy Technology Data Exchange (ETDEWEB)

Dworschak, Michael Gerhard

2009-12-08

The Penning trap mass spectrometer SHIPTRAP at GSI Darmstadt was set up for high-precision mass measurements of heavy radionuclides produced in fusion evaporation reactions and separated from the primary beam by the velocity filter SHIP. It consists of a gas stopping cell for the deceleration of the high energetic reaction products, an RFQ cooler and buncher for cooling and accumulation of the ions, and a double Penning trap system to perform mass measurements. The mass is determined by measuring the cyclotron frequency of the ion of interest in a strong homogeneous magnetic field and comparing it to the frequency of a well-known reference ion. With this method relative uncertainties in the order of 10{sup -8} can be achieved. Recently, mass measurements of the three nobelium isotopes {sup 252-254}No (Z=102) and the lawrencium isotope {sup 255}Lr (Z=103) were performed successfully. These were the first direct mass measurements of transuranium elements ever per- formed. The production rate of the atoms of interest was about one per second or less. The results of the measurements on nobelium confirm the previous mass values which were deduced from Q{sub {alpha}} values. In the case of {sup 255}Lr the mass excess value, which was previously only estimated from systematic trends, was for the first time directly measured. These results mark the first step in the exploration of the region of transuranium elements which is planned at SHIPTRAP. The main objective is to fix the endpoints of {alpha} decay chains which are originating from superheavy elements close to the predicted island of stability. (orig.)

[Rapid screening and confirmation of 205 pesticide residues in rice by QuEChERS and liquid chromatography-mass spectrometry].

Science.gov (United States)

Chen, Xi; Cheng, Lei; Qu, Shichao; Huang, Daliang; Liu, Jiacheng; Cui, Han; Jia, Yanbo; Ji, Mingshan

2015-10-01

A method for rapid screening and confirmation of 205 pesticide residues in rice was developed by combining QuEChERS and high performance liquid chromatography-triple quadrupole-linear ion trap mass spectrometry (LC-Q-TRAP/MS). The rice samples were extracted with acetonitrile, and then cleaned up with primary secondary amine (PSA), anhydrous magnesium sulfate (MgSO4) and C18 adsorbent. Finally, the samples were detected by LC-Q-TRAP/MS in multiple reaction monitoring with information-dependent acquisition of enhanced product ion (MRM-IDA-EPI) mode followed with database searching. A total of 205 pesticide residues were confirmed by retention times, ion pairs and the database searching using EPI library, and quantified by external standard method. All the pesticides showed good linearities with linear correlation coefficients all above 0.995. The limits of quantification (LOQs) for the 205 pesticides were 0.5-10.0 μg/kg. The average recoveries of the 205 pesticides ranged from 62.4% to 127.1% with the relative standard deviations (RSDs) of 1.0% - 20.0% at spiked levels of 10 μg/kg and 50 μg/kg, and only 20 min were needed for the analysis of an actual rice sample. In brief, the method is fast, accurate and highly sensitive, and is suitable for the screening and confirmation of pesticide residues in rice.

Evaporative cooling of highly charged ions in EBIT [Electron Beam Ion Trap]: An experimental realization

International Nuclear Information System (INIS)

Schneider, M.B.; Levine, M.A.; Bennett, C.L.; Henderson, J.R.; Knapp, D.A.; Marrs, R.E.

1988-01-01

Both the total number and trapping lifetime of near-neon-like gold ions held in an electron beam ion trap have been greatly increased by a process of 'evaporative cooling'. A continuous flow of low-charge-state ions into the trap cools the high-charge-state ions in the trap. Preliminary experimental results using titanium ions as a coolant are presented. 8 refs., 6 figs., 2 tabs

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

Science.gov (United States)

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

2018-05-07

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

Separation of silver ions and starch modified silver nanoparticles using high performance liquid chromatography with ultraviolet and inductively coupled mass spectrometric detection

International Nuclear Information System (INIS)

Hanley, Traci A.; Saadawi, Ryan; Zhang, Peng; Caruso, Joseph A.; Landero-Figueroa, Julio

2014-01-01

The production of commercially available products marketed to contain silver nanoparticles is rapidly increasing. Species-specific toxicity is a phenomenon associated with many elements, including silver, making it imperative to develop a method to identify and quantify the various forms of silver (namely, silver ions vs. silver nanoparticles) possibly present in these products. In this study a method was developed using high performance liquid chromatography (HPLC) with ultraviolet (UV–VIS) and inductively coupled mass spectrometric (ICP-MS) detection to separate starch stabilized silver nanoparticles (AgNPs) and silver ions (Ag + ) by cation exchange chromatography with 0.5 M nitric acid mobile phase. The silver nanoparticles and ions were baseline resolved with an ICP-MS response linear over four orders of magnitude, 0.04 mg kg −1 detection limit, and 90% chromatographic recovery for silver solutions containing ions and starch stabilized silver nanoparticles smaller than 100 nm

Separation of silver ions and starch modified silver nanoparticles using high performance liquid chromatography with ultraviolet and inductively coupled mass spectrometric detection

Energy Technology Data Exchange (ETDEWEB)

Hanley, Traci A.; Saadawi, Ryan; Zhang, Peng; Caruso, Joseph A., E-mail: joseph.caruso@uc.edu; Landero-Figueroa, Julio

2014-10-01

The production of commercially available products marketed to contain silver nanoparticles is rapidly increasing. Species-specific toxicity is a phenomenon associated with many elements, including silver, making it imperative to develop a method to identify and quantify the various forms of silver (namely, silver ions vs. silver nanoparticles) possibly present in these products. In this study a method was developed using high performance liquid chromatography (HPLC) with ultraviolet (UV–VIS) and inductively coupled mass spectrometric (ICP-MS) detection to separate starch stabilized silver nanoparticles (AgNPs) and silver ions (Ag{sup +}) by cation exchange chromatography with 0.5 M nitric acid mobile phase. The silver nanoparticles and ions were baseline resolved with an ICP-MS response linear over four orders of magnitude, 0.04 mg kg{sup −1} detection limit, and 90% chromatographic recovery for silver solutions containing ions and starch stabilized silver nanoparticles smaller than 100 nm.

Ion trapping within the dust grain plasma sheath

International Nuclear Information System (INIS)

Jovanovic, D.; Shukla, P.K.

2002-01-01

One of the most important and still unresolved problems in the physics of dusty plasmas is the determination of the dust charge. The grains are not directly accessible to measurements and it is necessary to have a reliable theoretical model of the electron and ion dynamics inside the Debye sphere for the interpretation of the relevant experimental data, which include also the effects of the surrounding electron and ion clouds. Recent computer simulations [6] and laboratory experiments [9] indicate that the plasma sheath is dominated by trapped ions, orbiting the grain on closed trajectories at distances smaller than the Debye radius, that cannot be accounted for by the classical theories. We present the first analytical, fully self-consistent, calculations of the electrostatic shielding of a charged dust grain in a collisional plasma. In the regime when the mean free path for the ion-dust collisions is larger than that for the ion-neutral collisions, we solve the kinetic equation for the ions, coupled with Boltzmann distributed electrons and Poisson's equation. The ion velocity distribution function, in the form of a spherically symmetric ion hole, is found to be anisotropic in the presence of charge-exchange collisions. The number of trapped ions and their spatial distribution are determined from the interplay between the collective plasma interaction and the collisional trapping/de-trapping. The stationary state results from the self-tuning of the trapped ion density by the feedback based on the nonlocality of the collisional integral, and on the ion mixing in the radial direction along elongated orbits. Our results confirm the existence of a strong Debye shielding of the dust charge, allowing also the over-population of the trapped ion distribution (ion hump)

A small trapped-ion quantum register

International Nuclear Information System (INIS)

Kielpinski, D

2003-01-01

We review experiments performed at the National Institute of Standards and Technology on entanglement, Bell's inequality and decoherence-free subspaces (DFSs) in a quantum register of trapped 9 Be + ions. The group of Dr David Wineland has demonstrated entanglement of up to four ions using the technique of Molmer and Sorensen. This method produces the state (|↓↓> + |↑↑>)/√2 for two ions and the state (|↓↓↓↓> + |↑↑↑↑>)/√2 for four ions. The entanglement was generated deterministically in each shot of the experiment. Measurements on the two-ion entangled state violate Bell's inequality at the 8σ level. Because of the high detector efficiency of the apparatus, this experiment closes the detector loophole for Bell's inequality measurements for the first time. This measurement is also the first violation of Bell's inequality by massive particles that does not implicitly assume results from quantum mechanics. The group also demonstrated measurement of an interferometric phase with precision better than the shot-noise limit using a two-ion entangled state. A large-scale version of this scheme could improve the signal-to-noise ratio of atomic clocks by orders of magnitude. Further experiments demonstrated reversible encoding of an arbitrary qubit, originally contained in one ion, into a DFS of two ions. The DFS-encoded qubit resists applied collective dephasing noise and retains coherence under ambient conditions 3.6 times longer than does an unencoded qubit. The encoding method, which uses single-ion gates and the two-ion entangling gate, demonstrates all the elements required for two-qubit universal quantum logic. Finally, we describe an architecture for a large-scale ion trap quantum computer. By performing logic gates on small numbers of ions trapped in separate regions of the array, we take advantage of existing techniques for manipulating small trapped-ion quantum registers while enabling massively parallel gate operation. Encoding the

Current role of liquid chromatography-mass spectrometry in clinical and forensic toxicology.

Science.gov (United States)

Maurer, Hans H

2007-08-01

This paper reviews multi-analyte single-stage and tandem liquid chromatography-mass spectrometry (LC-MS) procedures using different mass analyzers (quadrupole, ion trap, time-of-flight) for screening, identification, and/or quantification of drugs, poisons, and/or their metabolites in blood, plasma, serum, or urine published after 2004. Basic information about the biosample assayed, work-up, LC column, mobile phase, ionization type, mass spectral detection mode, and validation data of each procedure is summarized in tables. The following analytes are covered: drugs of abuse, analgesics, opioids, sedative-hypnotics, benzodiazepines, antidepressants including selective-serotonin reuptake inhibitors (SSRIs), herbal phenalkylamines (ephedrines), oral antidiabetics, antiarrhythmics and other cardiovascular drugs, antiretroviral drugs, toxic alkaloids, quaternary ammonium drugs and herbicides, and dialkylphosphate pesticides. The pros and cons of the reviewed procedures are critically discussed, particularly, the need for studies on matrix effects, selectivity, analyte stability, and the use of stable-isotope labeled internal standards instead of unlabeled therapeutic drugs. In conclusion, LC-MS will probably become a gold standard for detection of very low concentrations particularly in alternative matrices and for quantification in clinical and forensic toxicology. However, some drawbacks still need to be addressed and finally overcome.

Action spectroscopy of SrCl{sup +} using an integrated ion trap time-of-flight mass spectrometer

Energy Technology Data Exchange (ETDEWEB)

Puri, Prateek, E-mail: teek24@ucla.edu; Schowalter, Steven J.; Hudson, Eric R. [Department of Physics and Astronomy, University of California, Los Angeles, California 90095 (United States); Kotochigova, Svetlana; Petrov, Alexander [Department of Physics, Temple University, Philadelphia, Pennsylvania 19122 (United States)

2014-07-07

The photodissociation cross-section of SrCl{sup +} is measured in the spectral range of 36 000–46 000 cm{sup −1} using a modular time-of-flight mass spectrometer (TOF-MS). By irradiating a sample of trapped SrCl{sup +} molecular ions with a pulsed dye laser, X{sup 1}Σ{sup +} state molecular ions are electronically excited to the repulsive wall of the A{sup 1}Π state, resulting in dissociation. Using the TOF-MS, the product fragments are detected and the photodissociation cross-section is determined for a broad range of photon energies. Detailed ab initio calculations of the SrCl{sup +} molecular potentials and spectroscopic constants are also performed and are found to be in good agreement with experiment. The spectroscopic constants for SrCl{sup +} are also compared to those of another alkaline earth halogen, BaCl{sup +}, in order to highlight structural differences between the two molecular ions. This work represents the first spectroscopy and ab initio calculations of SrCl{sup +}.

Advances in silver ion chromatography for the analysis of fatty acids and triacylglycerols-2001 to 2011.

Science.gov (United States)

Momchilova, Svetlana M; Nikolova-Damyanova, Boryana M

2012-01-01

An effort is made to critically present the achievements in silver ion chromatography during the last decade. Novelties in columns, mobile-phase compositions and detectors are described. Recent applications of silver ion chromatography in the analysis of fatty acids and triacylglycerols are presented while stressing novel analytical strategies or new objects. The tendencies in the application of the method in complementary ways with reversed-phase chromatography, chiral chromatography and, especially, mass detection are outlined.

Quantum Information Experiments with Trapped Ions at NIST

Science.gov (United States)

Wilson, Andrew

2015-03-01

We present an overview of recent trapped-ion quantum information experiments at NIST. Advancing beyond few-qubit ``proof-of-principle'' experiments to the many-qubit systems needed for practical quantum simulation and information processing, without compromising on the performance demonstrated with small systems, remains a major challenge. One approach to scalable hardware development is surface-electrode traps. Micro-fabricated planar traps can have a number of useful features, including flexible electrode geometries, integrated microwave delivery, and spatio-temporal tuning of potentials for ion transport and spin-spin interactions. In this talk we report on a number of on-going investigations with surface traps. Experiments feature a multi-zone trap with closely spaced ions in a triangular arrangement (a first step towards 2D arrays of ions with tunable spin-spin interactions), a scheme for smooth transport through a junction in a 2D structure based on switchable RF potentials, and a micro-fabricated photo-detector integrated into a trap. We also give a progress report on our latest efforts to improve the fidelity of both optical and microwave 2-qubit gates. This work was supported by IARPA, ONR and the NIST Quantum Information Program. The 3-ion and switchable-RF-junction traps were developed in collaboration with Sandia National Laboratory.

Integrated fiber-mirror ion trap for strong ion-cavity coupling

International Nuclear Information System (INIS)

Brandstätter, B.; Schüppert, K.; Casabone, B.; Friebe, K.; Stute, A.; Northup, T. E.; McClung, A.; Schmidt, P. O.; Deutsch, C.; Reichel, J.; Blatt, R.

2013-01-01

We present and characterize fiber mirrors and a miniaturized ion-trap design developed to integrate a fiber-based Fabry-Perot cavity (FFPC) with a linear Paul trap for use in cavity-QED experiments with trapped ions. Our fiber-mirror fabrication process not only enables the construction of FFPCs with small mode volumes, but also allows us to minimize the influence of the dielectric fiber mirrors on the trapped-ion pseudopotential. We discuss the effect of clipping losses for long FFPCs and the effect of angular and lateral displacements on the coupling efficiencies between cavity and fiber. Optical profilometry allows us to determine the radii of curvature and ellipticities of the fiber mirrors. From finesse measurements, we infer a single-atom cooperativity of up to 12 for FFPCs longer than 200 μm in length; comparison to cavities constructed with reference substrate mirrors produced in the same coating run indicates that our FFPCs have similar scattering losses. We characterize the birefringence of our fiber mirrors, finding that careful fiber-mirror selection enables us to construct FFPCs with degenerate polarization modes. As FFPCs are novel devices, we describe procedures developed for handling, aligning, and cleaning them. We discuss experiments to anneal fiber mirrors and explore the influence of the atmosphere under which annealing occurs on coating losses, finding that annealing under vacuum increases the losses for our reference substrate mirrors. X-ray photoelectron spectroscopy measurements indicate that these losses may be attributable to oxygen depletion in the mirror coating. Special design considerations enable us to introduce a FFPC into a trapped ion setup. Our unique linear Paul trap design provides clearance for such a cavity and is miniaturized to shield trapped ions from the dielectric fiber mirrors. We numerically calculate the trap potential in the absence of fibers. In the experiment additional electrodes can be used to compensate

Using Ion Exchange Chromatography to Separate and Quantify Complex Ions

Science.gov (United States)

Johnson, Brian J.

2014-01-01

Ion exchange chromatography is an important technique in the separation of charged species, particularly in biological, inorganic, and environmental samples. In this experiment, students are supplied with a mixture of two substitution-inert complex ions. They separate the complexes by ion exchange chromatography using a "flash"…

Controlling trapping potentials and stray electric fields in a microfabricated ion trap through design and compensation

International Nuclear Information System (INIS)

Charles Doret, S; Amini, Jason M; Wright, Kenneth; Volin, Curtis; Killian, Tyler; Ozakin, Arkadas; Denison, Douglas; Hayden, Harley; Pai, C-S; Slusher, Richart E; Harter, Alexa W

2012-01-01

Recent advances in quantum information processing with trapped ions have demonstrated the need for new ion trap architectures capable of holding and manipulating chains of many (>10) ions. Here we present the design and detailed characterization of a new linear trap, microfabricated with scalable complementary metal-oxide-semiconductor (CMOS) techniques, that is well-suited to this challenge. Forty-four individually controlled dc electrodes provide the many degrees of freedom required to construct anharmonic potential wells, shuttle ions, merge and split ion chains, precisely tune secular mode frequencies, and adjust the orientation of trap axes. Microfabricated capacitors on dc electrodes suppress radio-frequency pickup and excess micromotion, while a top-level ground layer simplifies modeling of electric fields and protects trap structures underneath. A localized aperture in the substrate provides access to the trapping region from an oven below, permitting deterministic loading of particular isotopic/elemental sequences via species-selective photoionization. The shapes of the aperture and radio-frequency electrodes are optimized to minimize perturbation of the trapping pseudopotential. Laboratory experiments verify simulated potentials and characterize trapping lifetimes, stray electric fields, and ion heating rates, while measurement and cancellation of spatially-varying stray electric fields permits the formation of nearly-equally spaced ion chains. (paper)

Recent results from the Penning trap mass spectrometer JYFLTRAP

Energy Technology Data Exchange (ETDEWEB)

Weber, Christine; Elomaa, Viki-Veikko; Eronen, Tommi; Hakala, Jani; Jokinen, Ari; Kankainen, Anu; Rahaman, Saidur; Rissanen, Juho; Aeystoe, Juha [Department of Physics, (YFL), University of Jyvaeskylae (Finland)

2009-07-01

Accurate mass determination employing Penning ion traps has gained increasing importance after the installation of several new on-line facilities at accelerator labs. These setups combine unique production possibilities for rare isotopes with elaborate ion-capture and manipulation techniques. Since the final commissioning of the JYFLTRAP setup at the IGISOL facility in Jyvaeskylae, the masses of more than 200 short-lived nuclides have been measured. Their knowledge applies to studies on nuclear structure, the modeling of nucleosynthesis processes, tests of the conserved vector current (CVC) hypothesis and the unitarity of the CKM matrix, and furthermore, can help to assist in ongoing searches of neutrinoless double-beta decays. This presentation focuses on recent highlights studied at JYFLTRAP.

Calcium Atom Trap for Atom Trap Mass Spectrometer

Energy Technology Data Exchange (ETDEWEB)

Ko, Kwang Hoon; Park, Hyun Min; Han, Jae Min; Kim, Taek Soo; Cha, Yong Ho; Lim, Gwon; Jeong, Do Young [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2012-05-15

Trace isotope analysis has been an important role in science, archaeological dating, geology, biology and nuclear industry. Artificially produced fission products such as Sr-90, Cs-135 and Kr-85 can be released to the environment when nuclear accident occurs and the reprocessing factory operates. Thus, the analysis of them has been of interest in nuclear industry. But it is difficult to detect them due to low natural abundance less then 10-10. The ultra-trace radio isotopes have been analyzed by the radio-chemical method, accelerator mass spectrometer, and laser based method. The radiochemical method has been used in the nuclear industry. But this method has disadvantages of long measurement time for long lived radioisotopes and toxic chemical process for the purification. The accelerator mass spectrometer has high isotope selectivity, but the system is huge and it has the isobar effects. The laser based method, such as RIMS (Resonance Ionization Mass Spectrometry) is a basically isobar-effect free method. Recently, ATTA (Atom Trap Trace Analysis), one of the laser based method, has been successfully demonstrated sufficient isotope selectivity with small system size. It has been applied for the detection of Kr-81 and Kr-85. However, it is not suitable for real sample detection, because it requires steady atomic beam generation during detection and is not allowed simultaneous detection of other isotopes. Therefore, we proposed the coupled method of Atom Trap and Mass Spectrometer. It consists of three parts, neutral atom trap, ionization and mass spectrometer. In this paper, we present the demonstration of the magneto-optical trap of neutral calcium. We discuss the isotope selective characteristics of the MOT (Magneto Optical Trap) of calcium by the fluorescence measurement. In addition, the frequency stabilization of the trap beam will be presented

Dispersive solid phase extraction combined with ion-pair ultra high-performance liquid chromatography tandem mass spectrometry for quantification of nucleotides in Lactococcus lactis

DEFF Research Database (Denmark)

Magdenoska, Olivera; Martinussen, Jan; Thykær, Jette

2013-01-01

solid phase extraction with charcoal and subsequent analysis with ion-pair liquid chromatography coupled with electrospray ionization tandem mass spectrometry was established for quantification of intracellular pools of the 28 most important nucleotides. The method can handle extracts where cells leak...

An aircraft-borne chemical ionization – ion trap mass spectrometer (CI-ITMS for fast PAN and PPN measurements

Directory of Open Access Journals (Sweden)

H. Schlager

2011-02-01

Full Text Available An airborne chemical ionization ion trap mass spectrometer instrument (CI-ITMS has been developed for tropospheric and stratospheric fast in-situ measurements of PAN (peroxyacetyl nitrate and PPN (peroxypropionyl nitrate. The first scientific deployment of the FASTPEX instrument (FASTPEX = Fast Measurement of Peroxyacyl nitrates took place in the Arctic during 18 missions aboard the DLR research aircraft Falcon, within the framework of the POLARCAT-GRACE campaign in the summer of 2008. The FASTPEX instrument is described and characteristic properties of the employed ion trap mass spectrometer are discussed. Atmospheric data obtained at altitudes of up to ~12 km are presented, from the boundary layer to the lowermost stratosphere. Data were sampled with a time resolution of 2 s and a 2σ detection limit of 25 pmol mol−1. An isotopically labelled standard was used for a permanent on-line calibration. For this reason the accuracy of the PAN measurements is better than ±10% for mixing ratios greater than 200 pmol mol−1. PAN mixing ratios in the summer Arctic troposphere were in the order of a few hundred pmol mol−1 and generally correlated well with CO. In the Arctic boundary layer and lowermost stratosphere smaller PAN mixing ratios were observed due to a combination of missing local sources of PAN precursor gases and efficient removal processes (thermolysis/photolysis. PPN, the second most abundant PAN homologue, was measured simultaneously. Observed PPN/PAN ratios range between ~0.03 and 0.3.

Plasma chromatography

International Nuclear Information System (INIS)

Anon.

1984-01-01

This book examines the fundamental theory and various applications of ion mobility spectroscopy. Plasma chromatography developed from research on the diffusion and mobility of ions. Topics considered include instrument design and description (e.g., performance, spectral interpretation, sample handling, mass spectrometry), the role of ion mobility in plasma chromatography (e.g., kinetic theory of ion transport), atmospheric pressure ionization (e.g., rate equations), the characterization of isomers by plasma chromatography (e.g., molecular ion characteristics, polynuclear aromatics), plasma chromatography as a gas chromatographic detection method (e.g., qualitative analysis, continuous mobility monitoring, quantitative analysis), the analysis of toxic vapors by plasma chromatography (e.g., plasma chromatograph calibration, instrument control and data processing), the analysis of semiconductor devices and microelectronic packages by plasma chromatography/mass spectroscopy (e.g., analysis of organic surface contaminants, analysis of water in sealed electronic packages), and instrument design and automation (hardware, software)

Liquid chromatography - mass spectrometry analysis of pharmaceuticals

International Nuclear Information System (INIS)

Macasek, F.

2003-01-01

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

Trace detection of organic compounds in complex sample matrixes by single photon ionization ion trap mass spectrometry: real-time detection of security-relevant compounds and online analysis of the coffee-roasting process.

Science.gov (United States)

Schramm, Elisabeth; Kürten, Andreas; Hölzer, Jasper; Mitschke, Stefan; Mühlberger, Fabian; Sklorz, Martin; Wieser, Jochen; Ulrich, Andreas; Pütz, Michael; Schulte-Ladbeck, Rasmus; Schultze, Rainer; Curtius, Joachim; Borrmann, Stephan; Zimmermann, Ralf

2009-06-01

An in-house-built ion trap mass spectrometer combined with a soft ionization source has been set up and tested. As ionization source, an electron beam pumped vacuum UV (VUV) excimer lamp (EBEL) was used for single-photon ionization. It was shown that soft ionization allows the reduction of fragmentation of the target analytes and the suppression of most matrix components. Therefore, the combination of photon ionization with the tandem mass spectrometry (MS/MS) capability of an ion trap yields a powerful tool for molecular ion peak detection and identification of organic trace compounds in complex matrixes. This setup was successfully tested for two different applications. The first one is the detection of security-relevant substances like explosives, narcotics, and chemical warfare agents. One test substance from each of these groups was chosen and detected successfully with single photon ionization ion trap mass spectrometry (SPI-ITMS) MS/MS measurements. Additionally, first tests were performed, demonstrating that this method is not influenced by matrix compounds. The second field of application is the detection of process gases. Here, exhaust gas from coffee roasting was analyzed in real time, and some of its compounds were identified using MS/MS studies.

Receptor-based high-throughput screening and identification of estrogens in dietary supplements using bioaffinity liquid-chromatography ion mobility mass spectrometry.

Science.gov (United States)

Aqai, Payam; Blesa, Natalia Gómez; Major, Hilary; Pedotti, Mattia; Varani, Luca; Ferrero, Valentina E V; Haasnoot, Willem; Nielen, Michel W F

2013-11-01

A high-throughput bioaffinity liquid chromatography-mass spectrometry (BioMS) approach was developed and applied for the screening and identification of recombinant human estrogen receptor α (ERα) ligands in dietary supplements. For screening, a semi-automated mass spectrometric ligand binding assay was developed applying (13)C2, (15) N-tamoxifen as non-radioactive label and fast ultra-high-performance-liquid chromatography-electrospray ionisation-triple-quadrupole-MS (UPLC-QqQ-MS), operated in the single reaction monitoring mode, as a readout system. Binding of the label to ERα-coated paramagnetic microbeads was inhibited by competing estrogens in the sample extract yielding decreased levels of the label in UPLC-QqQ-MS. The label showed high ionisation efficiency in positive electrospray ionisation (ESI) mode, so the developed BioMS approach is able to screen for estrogens in dietary supplements despite their poor ionisation efficiency in both positive and negative ESI modes. The assay was performed in a 96-well plate, and all these wells could be measured within 3 h. Estrogens in suspect extracts were identified by full-scan accurate mass and collision-cross section (CCS) values from a UPLC-ion mobility-Q-time-of-flight-MS (UPLC-IM-Q-ToF-MS) equipped with a novel atmospheric pressure ionisation source. Thanks to the novel ion source, this instrument provided picogram sensitivity for estrogens in the negative ion mode and an additional identification point (experimental CCS values) next to retention time, accurate mass and tandem mass spectrometry data. The developed combination of bioaffinity screening with UPLC-QqQ-MS and identification with UPLC-IM-Q-ToF-MS provides an extremely powerful analytical tool for early warning of ERα bioactive compounds in dietary supplements as demonstrated by analysis of selected dietary supplements in which different estrogens were identified.

Modular Universal Scalable Ion-trap Quantum Computer

Science.gov (United States)

2016-06-02

SECURITY CLASSIFICATION OF: The main goal of the original MUSIQC proposal was to construct and demonstrate a modular and universally- expandable ion...Distribution Unlimited UU UU UU UU 02-06-2016 1-Aug-2010 31-Jan-2016 Final Report: Modular Universal Scalable Ion-trap Quantum Computer The views...P.O. Box 12211 Research Triangle Park, NC 27709-2211 Ion trap quantum computation, scalable modular architectures REPORT DOCUMENTATION PAGE 11

Validation of a confirmatory method for the determination of melamine in egg by gas chromatography-mass spectrometry and ultra-performance liquid chromatography-tandem mass spectrometry

International Nuclear Information System (INIS)

Xia Xi; Ding Shuangyang; Li Xiaowei; Gong Xiao; Zhang Suxia; Jiang Haiyang; Li Jiancheng; Shen Jianzhong

2009-01-01

A sensitive and reliable method was developed and validated for detection and confirmation of melamine in egg based on gas chromatography-mass spectrometry (GC-MS) and ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). Trichloroacetic acid solution was used for sample extraction and precipitation of proteins. The aqueous extracts were subjected to solid-phase extraction by mixed-mode reversed-phase/strong cation-exchange cartridges. Using ultra-performance liquid chromatography and electrospray ionization in the positive ion mode, melamine was determined by LC-MS/MS, which was completed in 5 min for each injection. For the GC-MS analysis, extracted melamine was derivatized with N,O-bis(trimethylsilyl)trifluoracetamide prior to selected ion monitoring detection in electron impact mode. The average recovery of melamine from fortified samples ranged from 85.2% to 103.2%, with coefficients of variation lower than 12%. The limit of detection obtained by GC-MS and UPLC-MS/MS was 10 and 5 μg kg -1 , respectively. This validated method was successfully applied to the determination of melamine in real samples from market.

Characterization of Ni(II) complexes of Schiff bases of amino acids and (S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide using ion trap and QqTOF electrospray ionization tandem mass spectrometry

NARCIS (Netherlands)

Jirasko, Robert; Holcapek, Michal; Kolarova, Lenka; Nadvornik, Milan; Popkov, Alexander

This work demonstrates the application of electrospray ionization mass spectrometry (ESI-MS) using two different mass analyzers, ion trap and hybrid quadrupole time-of-flight (QqTOF) mass analyzer, for the structural characterization of Ni(II) complexes of Schiff bases of

Integrating qualitative and quantitative characterization of traditional Chinese medicine injection by high-performance liquid chromatography with diode array detection and tandem mass spectrometry.

Science.gov (United States)

Xie, Yuan-yuan; Xiao, Xue; Luo, Juan-min; Fu, Chan; Wang, Qiao-wei; Wang, Yi-ming; Liang, Qiong-lin; Luo, Guo-an

2014-06-01

The present study aims to describe and exemplify an integrated strategy of the combination of qualitative and quantitative characterization of a multicomponent mixture for the quality control of traditional Chinese medicine injections with the example of Danhong injection (DHI). The standardized chemical profile of DHI has been established based on liquid chromatography with diode array detection. High-performance liquid chromatography coupled with time-of-flight mass spectrometry and high-performance liquid chromatography with electrospray multistage tandem ion-trap mass spectrometry have been developed to identify the major constituents in DHI. The structures of 26 compounds including nucleotides, phenolic acids, and flavonoid glycosides were identified or tentatively characterized. Meanwhile, the simultaneous determination of seven marker constituents, including uridine, adenosine, danshensu, protocatechuic aldehyde, p-coumaric acid, rosmarinic acid, and salvianolic acid B, in DHI was performed by multiwavelength detection based on high-performance liquid chromatography with diode array detection. The integrated qualitative and quantitative characterization strategy provided an effective and reliable pattern for the comprehensive and systematic characterization of the complex traditional Chinese medicine system. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Simultaneous determination of clebopride and a major metabolite N-desbenzylclebopride in plasma by capillary gas chromatography-negative-ion chemical ionization mass spectrometry.

Science.gov (United States)

Robinson, P R; Jones, M D; Maddock, J; Rees, L W

1991-03-08

A procedure for the simultaneous assay of clebopride and its major metabolite N-desbenzylclebopride in plasma has been developed. The method utilizes capillary gas chromatography-negative-ion chemical ionization mass spectrometry with selected-ion monitoring of characteristic ions. Employing 2-ethoxy analogues as internal standards, the benzamides were extracted from basified plasma using dichloromethane. Subsequent reaction with heptafluorobutyric anhydride produced volatile mono- and diheptafluorobutyryl derivatives of clebopride and N-desbenzylclebopride, respectively. The methane negative-ion mass spectra of these derivatives exhibited intense high-mass ions ideal for specific quantitation of low levels in biological fluids. Using this procedure the recovery of the drug and metabolite from human plasma was found to be 84.4 +/- 1.5% (n = 3) and 77.4 +/- 4.7% (n = 3), respectively, at 0.5 ng/ml. Measurement of both compounds down to 0.10 ng/ml with a coefficient of variation of less than 10.5% is described. Plasma levels are reported in four volunteers up to 24 h following oral administration of 1 mg of clebopride malate salt.

Characterization of typical chemical background interferences in atmospheric pressure ionization liquid chromatography-mass spectrometry

NARCIS (Netherlands)

Guo, Xinghua; Bruins, Andries P.; Covey, Thomas R.

2006-01-01

The structures and origins of typical chemical background noise ions in positive atmospheric pressure ionization liquid chromatography/mass spectrometry (API LC/MS) are investigated and summarized in this study. This was done by classifying chemical background ions using precursor and product ion

Preliminary Tests of a Paul ion Trap as an Ion Source

Science.gov (United States)

Sadat Kiai, S. M.; Zirak, A. R.; Elahi, M.; Adlparvar, S.; Mortazavi, B. N.; Safarien, A.; Farhangi, S.; Sheibani, S.; Alhooie, S.; Khalaj, M. M. A.; Dabirzadeh, A. A.; Ruzbehani, M.; Zahedi, F.

2010-10-01

The paper reports on the design and construction of a Paul ion trap as an ion source by using an impact electron ionization technique. Ions are produced in the trap and confined for the specific time which is then extracted and detected by a Faraday cup. Especial electronic configurations are employed between the end caps, ring electrodes, electron gun and a negative voltage for the detector. This configuration allows a constant low level of pure ion source between the pulsed confined ion sources. The present experimental results are based on the production and confinement of Argon ions with good stability and repeatability, but in principle, the technique can be used for various Argon like ions.

Application of a hybrid ordered mesoporous silica as sorbent for solid-phase multi-residue extraction of veterinary drugs in meat by ultra-high-performance liquid chromatography coupled to ion-trap tandem mass spectrometry.

Science.gov (United States)

Casado, Natalia; Morante-Zarcero, Sonia; Pérez-Quintanilla, Damián; Sierra, Isabel

2016-08-12

A quick, sensitive and selective analytical reversed-phase multi-residue method using ultra-high performance liquid chromatography coupled to an ion-trap mass spectrometry detector (UHPLC-IT-MS/MS) operating in both positive and negative ion mode was developed for the simultaneous determination of 23 veterinary drug residues (β-blockers, β-agonists and Non-Steroidal Anti-inflammatory Drugs (NSAIDs)) in meat samples. The sample treatment involved a liquid-solid extraction followed by a solid-phase extraction (SPE) procedure. SBA-15 type mesoporous silica was synthetized and modified with octadecylsilane, and the resulting hybrid material (denoted as SBA-15-C18) was applied and evaluated as SPE sorbent in the purification of samples. The materials were comprehensively characterized, and they showed a high surface area, high pore volume and a homogeneous distribution of the pores. Chromatographic conditions and extraction procedure were optimized, and the method was validated according to the Commission Decision 2002/657/EC. The method detection limits (MDLs) and the method quantification limits (MQLs) were determined for all the analytes in meat samples and found to range between 0.01-18.75μg/kg and 0.02-62.50μg/kg, respectively. Recoveries for 15 of the target analytes ranged from 71 to 98%. In addition, for comparative purpose SBA-15-C18 was evaluated towards commercial C18 amorphous silica. Results revealed that SBA-15-C18 was clearly more successful in the multi-residue extraction of the 23 mentioned analytes with higher recovery values. The method was successfully tested to analyze prepacked preparations of mince bovine meat. Traces of propranolol, ketoprofen and diclofenac were detected in some samples. Copyright © 2016 Elsevier B.V. All rights reserved.

Determination of C6-C10 aromatic hydrocarbons in water by purge-and-trap capillary gas chromatography

Science.gov (United States)

Eganhouse, R.P.; Dorsey, T.F.; Phinney, C.S.; Westcott, A.M.

1993-01-01

A method is described for the determination of the C6-C10 aromatic hydrocarbons in water based on purge-and-trap capillary gas chromatography with flame ionization and mass spectrometric detection. Retention time data and 70 eV mass spectra were obtained for benzene and all 35 C7-C10 aromatic hydrocarbons. With optimized chromatographic conditions and mass spectrometric detection, benzene and 33 of the 35 alkylbenzenes can be identified and measured in a 45-min run. Use of a flame ionization detector permits the simultaneous determination of benzene and 26 alkylbenzenes.

Analysis of small carbohydrates in several bioactive botanicals by gas chromatography with mass spectrometry and liquid chromatography with tandem mass spectrometry.

Science.gov (United States)

Moldoveanu, Serban; Scott, Wayne; Zhu, Jeff

2015-11-01

Bioactive botanicals contain natural compounds with specific biological activity, such as antibacterial, antioxidant, immune stimulating, and taste improving. A full characterization of the chemical composition of these botanicals is frequently necessary. A study of small carbohydrates from the plant materials of 18 bioactive botanicals is further described. The study presents the identification of the carbohydrate using a gas chromatographic-mass spectrometric analysis that allows detection of molecules as large as maltotetraose, after changing them into trimethylsilyl derivatives. A number of carbohydrates in the plant (fructose, glucose, mannose, sucrose, maltose, xylose, sorbitol, and myo-, chiro-, and scyllo-inositols) were quantitated using a novel liquid chromatography with tandem mass spectrometric technique. Both techniques involved new method developments. The gas chromatography with mass spectrometric analysis involved derivatization and separation on a Rxi(®)-5Sil MS column with H2 as a carrier gas. The liquid chromatographic separation was obtained using a hydrophilic interaction type column, YMC-PAC Polyamine II. The tandem mass spectrometer used an electrospray ionization source in multiple reaction monitoring positive ion mode with the detection of the adducts of the carbohydrates with Cs(+) ions. The validated quantitative procedure showed excellent precision and accuracy allowing the analysis in a wide range of concentrations of the analytes. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Space-charge effects in Penning ion traps

Czech Academy of Sciences Publication Activity Database

Porobic, T.; Beck, M.; Breitenfeldt, M.; Couratin, C.; Finlay, P.; Knecht, A.; Fabian, X.; Friedag, P.; Flechard, X.; Lienard, E.; Ban, G.; Zákoucký, Dalibor; Soti, G.; Van Gorp, S.; Weinheimer, C.; Wursten, E.; Severijns, N.

2015-01-01

Roč. 785, JUN (2015), s. 153-162 ISSN 0168-9002 R&D Projects: GA MŠk LA08015; GA MŠk(CZ) LG13031 Institutional support: RVO:61389005 Keywords : Penning trap * space-charge * magnetron motion * ion trapping * buffer gas cooling * ion cyclotron resonance Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 1.200, year: 2015

Ion mobility: its role in plasma chromatography

International Nuclear Information System (INIS)

Mason, E.A.

1984-01-01

This paper is a review of the basic physical theory underlying plasma chromatography. Essentially, plasma chromatography simply measures ion mobility. The new feature of plasma chromatography, as compared to aqueous electrophoresis, is the existence of a highly-developed and accurate body of theory that connects gaseous ion mobility and diffusion to the ion molecule interactions in the drift tube. Attention is restricted to phenomena occurring in the drift tube portion of the apparatus

Determination of trimethylselenonium ion in urine by ion chromatography and inductively coupled plasma mass spectrometry detection

DEFF Research Database (Denmark)

Gammelgaard, Bente; Jessen, K.D.; Kristensen, F.H.

2000-01-01

The selenium species selenite, selenate, selenomethionine (SeMet), and trimethylselenonium iodide (TMSe+) were separated in aqueous solution by ion chromatography. The separation was performed on an Ionpac CS5 cation exchange column by elution with 10 mM oxalic acid and 20 mM potassium sulphate, p...

Novel product ions of 2-aminoanilide and benzimidazole Ag(I) complexes using electrospray ionization with multi-stage tandem mass spectrometry.

Science.gov (United States)

Johnson, Byron S; Burinsky, David J; Burova, Svetlana A; Davis, Roman; Fitzgerald, Russ N; Matsuoka, Richard T

2012-05-15

The 2-aminoaniline scaffold is of significant value to the pharmaceutical industry and is embedded in a number of pharmacophores including 2-aminoanilides and benzimidazoles. A novel application of coordination ion spray mass spectrometry (CIS-MS) for interrogating the silver ion (Ag(+)) complexes of a homologous series of these compounds using multi-stage tandem mass spectrometry is described. Unlike the ubiquitous alkali metal ion complexes, Ag(+) complexes of 2-aminoanilides and benzimidazoles were found to yield [M - H](+) ions in significant abundance via gas-phase elimination of the metal hydride (AgH) resulting in unique product ion cascades. Sample introduction was by liquid chromatography with mass spectrometry analysis performed on a hybrid linear ion trap/orbitrap instrument capable of high-resolution measurements. Rigorous structural characterization by multi-stage tandem mass spectrometry using [M +  H](+), [M - H](-) and [M - H](+) precursor ions derived from ESI and CIS experiments was performed for the homologous series of 2-aminoanilide and benzimidazole compounds. A full tabular comparison of structural information resulting from these product ion cascades was produced. Multi-stage tandem mass spectrometry of [M - H](+) ions resulting from Ag(+) complexes of 2-aminoanilides and benzimidazoles in CIS-MS experiments produced unique product ion cascades that exhibited complementary structural information to that obtained from tandem mass spectrometry of [M  +  H](+) and [M - H](-) ions by electrospray ionization (ESI). These observations may be broadly applicable to other compounds that are observed to form Ag(+) complexes and eliminate AgH. Copyright © 2012 John Wiley & Sons, Ltd.

Characterization of the designer drug deschloroketamine (2-methylamino-2-phenylcyclohexanone) by gas chromatography/mass spectrometry, liquid chromatography/high-resolution mass spectrometry, multistage mass spectrometry, and nuclear magnetic resonance.

Science.gov (United States)

Frison, Giampietro; Zamengo, Luca; Zancanaro, Flavio; Tisato, Francesco; Traldi, Pietro

2016-01-15

Clinical and forensic toxicology laboratories are challenged every day by the analytical aspects of the new psychoactive substances phenomenon. In this study we describe the analytical characterization of a new ketamine derivative, deschloroketamine (2-methylamino-2-phenylcyclohexanone), contained in seized powders. The analytical techniques employed include gas chromatography/mass spectrometry (GC/MS), liquid chromatography/electrospray ionization coupled with Orbitrap high-resolution/MS (LC/ESI-HRMS), multistage MS (ESI-MS(n)), and NMR. The LC/ESI-HRMS analyses consisted of accurate mass measurements of MH(+) ions in full-scan mode; comparison of experimental and calculated MH(+) isotopic patterns; and examination of the isotopic fine structure (IFS) of the M + 1, M + 2, M + 3 isotopic peaks relative to the monoisotopic M + 0 peak. The collision-induced product ions of the MH(+) ions were studied by both HRMS and MS(n). (1)H and (13)C NMR measurements were carried out to confirm the chemical structure of the analyte. The EI mass spectra obtained by GC/MS analysis showed the presence of molecular ions at m/z 203, and main fragment ions at m/z 175, 174, 160, 147, 146, and 132. The application of LC/ESI-HRMS allowed us to obtain: the accurate mass of deschloroketamine MH(+) ions with a mass accuracy of 1.47 ppm; fully superimposable experimental and calculated MH(+) isotopic patterns, with a relative isotopic abundance value of 3.69 %; and the IFS of the M + 1, M + 2, M + 3 isotopic peaks completely in accordance with theoretical values. Examination of the product ions of MH(+), as well as the study of both (1)H and (13)C NMR spectra, enabled the full characterization of the molecular structure of deschloroketamine. The combination of the employed analytical techniques allowed the characterization of the seized psychoactive substance, in spite of the lack of a reference standard. Deschloroketamine is a ketamine analogue considered to be

Online Ozonolysis Combined with Ion Mobility-Mass Spectrometry Provides a New Platform for Lipid Isomer Analyses

Energy Technology Data Exchange (ETDEWEB)

Poad, Berwyck L.; Zheng, Xueyun; Mitchell, Todd A.; Smith, Richard D.; Baker, Erin M.; Blanksby, Stephen J.

2017-12-21

One of the most significant challenges in contemporary lipidomics lies in the separation and identification of lipid isomers that differ only in site(s) of unsaturation or geometric configuration of the carbon-carbon double bonds. While analytical separation techniques including ion mobility spectrometry (IMS) and liquid chromatography (LC) can separate isomeric lipids under appropriate conditions, conventional tandem mass spectrometry cannot provide unequivocal identification. To address this challenge, we have implemented ozone-induced dissociation (OzID) in-line with LC, IMS and high resolution mass spectrometry. Modification of an IMS- capable quadrupole time-of-flight mass spectrometer was undertaken to allow the introduction of ozone into the high-pressure trapping ion funnel region preceding the IMS cell. This enabled the novel LC-OzID-IMS-MS configuration where ozonolysis of ionized lipids occurred rapidly (10 ms) without prior mass-selection. LC-elution time alignment combined with accurate mass and arrival time extraction of ozonolysis products facilitated correlation of precursor and product ions without mass-selection (and associated reductions in duty cycle). Unsaturated lipids across 11 classes were examined using this workflow in both positive and negative ion modalities and in all cases the positions of carbon-carbon double bonds were unequivocally assigned based on predictable OzID transitions. Under these conditions geometric isomers exhibited different IMS arrival time distributions and distinct OzID product ion ratios providing a means for discrimination of cis/trans double bonds in complex lipids. The combination of OzID with multidimensional separations shows significant promise for facile profiling of unsaturation patterns within complex lipidomes.

DETERMINATION OF A BOUND MUSK XYLENE METABOLITE IN CARP HEMOGLOBIN AS A BIOMARKER OF EXPOSURE BY GAS CHROMATOGRAPHY MASS SPECTROMETRY USING SELECTED ION MONITORING

Science.gov (United States)

Musk xylene (MX) is widely used as a fragrance ingredient in commercial toiletries. Identification and quantification of a bound 4-amino-MX (AMX) metabolite was carried out by gas chromatography-mass spectrometry (GC/MS), with selected ion monitoring (SIM). Detection of AMX occur...

Visualization of hydrogen in steels by secondary ion mass spectrometry

International Nuclear Information System (INIS)

Takai, Kenichi

2000-01-01

Secondary ion mass spectrometry (SIMS) enables us to visualize hydrogen trapping sites in steels. Information about the hydrogen trapping sites in high-strength steels by SIMS is very important to discuss environmental embrittlement mechanism for developing steels with a high resistance to the environmental embrittlement. Secondary ion image analysis by SIMS has made possible to visualize the hydrogen and deuterium trapping sites in the steels. Hydrogen in tempered martensite steels containing Ca tends to accumulate on inclusions, at grain boundaries, and in segregation bands. Visualization of hydrogen desorption process by secondary ion image analysis confirms that the bonding between the inclusions and the hydrogen is strong. Cold-drawn pearlite steels trap hydrogen along cold-drawing direction. Pearlite phase absorbs the hydrogen more than ferrite phase does. This article introduces the principle of SIMS, its feature, analysis method, and results of hydrogen visualization in steels. (author)

Electrodynamically trapped Yb+ ions for quantum information processing

International Nuclear Information System (INIS)

Balzer, Chr.; Braun, A.; Hannemann, T.; Wunderlich, Chr.; Paape, Chr.; Ettler, M.; Neuhauser, W.

2006-01-01

Highly efficient, nearly deterministic, and isotope selective generation of Yb + ions by one- and two-color photoionization is demonstrated. State preparation and state selective detection of hyperfine states in 171 Yb + is investigated in order to optimize the purity of the prepared state and to time-optimize the detection process. Linear laser-cooled Yb + ion crystals confined in a Paul trap are demonstrated. Advantageous features of different previous ion trap experiments are combined, while at the same time the number of possible error sources is reduced by using a comparatively simple experimental apparatus. This opens a new path toward quantum state manipulation of individual trapped ions, and in particular, to scalable quantum computing

Power-law distributions for a trapped ion interacting with a classical buffer gas.

Science.gov (United States)

DeVoe, Ralph G

2009-02-13

Classical collisions with an ideal gas generate non-Maxwellian distribution functions for a single ion in a radio frequency ion trap. The distributions have power-law tails whose exponent depends on the ratio of buffer gas to ion mass. This provides a statistical explanation for the previously observed transition from cooling to heating. Monte Carlo results approximate a Tsallis distribution over a wide range of parameters and have ab initio agreement with experiment.

Trapped-ion quantum logic gates based on oscillating magnetic fields

Science.gov (United States)

Ospelkaus, Christian; Langer, Christopher E.; Amini, Jason M.; Brown, Kenton R.; Leibfried, Dietrich; Wineland, David J.

2009-05-01

Oscillating magnetic fields and field gradients can be used to implement single-qubit rotations and entangling multiqubit quantum gates for trapped-ion quantum information processing. With fields generated by currents in microfabricated surface-electrode traps, it should be possible to achieve gate speeds that are comparable to those of optically induced gates for realistic distances between the ions and the electrode surface. Magnetic-field-mediated gates have the potential to significantly reduce the overhead in laser-beam control and motional-state initialization compared to current QIP experiments with trapped ions and will eliminate spontaneous scattering decoherence, a fundamental source of decoherence in laser-mediated gates. A potentially beneficial environment for the implementation of such schemes is a cryogenic ion trap, because small length scale traps with low motional heating rates can be realized. A cryogenic ion trap experiment is currently under construction at NIST.

The β-decay Paul trap: A radiofrequency-quadrupole ion trap for precision β-decay studies

International Nuclear Information System (INIS)

Scielzo, N.D.; Li, G.; Sternberg, M.G.; Savard, G.; Bertone, P.F.; Buchinger, F.; Caldwell, S.; Clark, J.A.; Crawford, J.; Deibel, C.M.; Fallis, J.; Greene, J.P.

2012-01-01

The β-decay Paul trap is a linear radiofrequency-quadrupole ion trap that has been developed for precision β-decay studies. The design of the trap electrodes allows a variety of radiation detectors to surround the cloud of trapped ions. The momentum of the low-energy recoiling daughter nuclei following β decay is negligibly perturbed by scattering and is available for study. This advantageous property of traps allows the kinematics of particles that are difficult or even impossible to directly detect to be precisely reconstructed using conservation of energy and momentum. An ion-trap system offers several advantages over atom traps, such as higher trapping efficiencies and element-independent capabilities. The first precision experiment using this system is a measurement of β-decay angular correlations in the decay of 8 Li performed by inferring the momentum of the neutrino from the kinematic shifts imparted to the breakup α particles. Many other β-decay studies that would benefit from a determination of the nuclear recoil can be performed with this system.

The {beta}-decay Paul trap: A radiofrequency-quadrupole ion trap for precision {beta}-decay studies

Energy Technology Data Exchange (ETDEWEB)

Scielzo, N.D., E-mail: scielzo1@llnl.gov [Physics Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550 (United States); Li, G. [Physics Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Department of Physics, McGill University, Montreal, Quebec, Canada H3A 2T8 (Canada); Sternberg, M.G.; Savard, G. [Physics Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Department of Physics, University of Chicago, Chicago, Illinois 60637 (United States); Bertone, P.F. [Physics Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Buchinger, F. [Department of Physics, McGill University, Montreal, Quebec, Canada H3A 2T8 (Canada); Caldwell, S. [Physics Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Department of Physics, University of Chicago, Chicago, Illinois 60637 (United States); Clark, J.A. [Physics Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Crawford, J. [Department of Physics, McGill University, Montreal, Quebec, Canada H3A 2T8 (Canada); Deibel, C.M. [Physics Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Joint Institute for Nuclear Astrophysics, Michigan State University, East Lansing, Michigan 48824 (United States); Fallis, J. [Physics Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Department of Physics and Astronomy, University of Manitoba, Winnipeg, Manitoba, Canada R3T 2N2 (Canada); Greene, J.P. [Physics Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States); and others

2012-07-21

The {beta}-decay Paul trap is a linear radiofrequency-quadrupole ion trap that has been developed for precision {beta}-decay studies. The design of the trap electrodes allows a variety of radiation detectors to surround the cloud of trapped ions. The momentum of the low-energy recoiling daughter nuclei following {beta} decay is negligibly perturbed by scattering and is available for study. This advantageous property of traps allows the kinematics of particles that are difficult or even impossible to directly detect to be precisely reconstructed using conservation of energy and momentum. An ion-trap system offers several advantages over atom traps, such as higher trapping efficiencies and element-independent capabilities. The first precision experiment using this system is a measurement of {beta}-decay angular correlations in the decay of {sup 8}Li performed by inferring the momentum of the neutrino from the kinematic shifts imparted to the breakup {alpha} particles. Many other {beta}-decay studies that would benefit from a determination of the nuclear recoil can be performed with this system.

Scalable error correction in distributed ion trap computers

International Nuclear Information System (INIS)

Oi, Daniel K. L.; Devitt, Simon J.; Hollenberg, Lloyd C. L.

2006-01-01

A major challenge for quantum computation in ion trap systems is scalable integration of error correction and fault tolerance. We analyze a distributed architecture with rapid high-fidelity local control within nodes and entangled links between nodes alleviating long-distance transport. We demonstrate fault-tolerant operator measurements which are used for error correction and nonlocal gates. This scheme is readily applied to linear ion traps which cannot be scaled up beyond a few ions per individual trap but which have access to a probabilistic entanglement mechanism. A proof-of-concept system is presented which is within the reach of current experiment

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.

Ion chromatography-mass spectrometry: a review of recent technologies and applications in forensic and environmental explosives analysis.

Science.gov (United States)

Barron, Leon; Gilchrist, Elizabeth

2014-01-02

The development and application of ion chromatography (IC) coupled to mass spectrometry (MS) is discussed herein for the quantitative determination of low-order explosives-related ionic species in environmental and forensic sample types. Issues relating to environmental explosives contamination and the need for more confirmatory IC-MS based applications in forensic science are examined. In particular, the compatibility of a range of IC separation modes with MS detection is summarised along with the analytical challenges that have been overcome to facilitate determinations at the ng-μg L(-1) level. Observed trends in coupling IC to inductively coupled plasma and electrospray ionisation mass spectrometry form a particular focus. This review also includes a discussion of the relative performance of reported IC-MS methods in comparison to orthogonal ion separation-based, spectrometric and spectroscopic approaches to confirmatory detection of low-order explosives. Finally, some promising areas for future research are highlighted and discussed with respect to potential IC-MS applications. Copyright © 2013 Elsevier B.V. All rights reserved.

Scaling Trapped Ion Quantum Computers Using Fast Gates and Microtraps

Science.gov (United States)

Ratcliffe, Alexander K.; Taylor, Richard L.; Hope, Joseph J.; Carvalho, André R. R.

2018-06-01

Most attempts to produce a scalable quantum information processing platform based on ion traps have focused on the shuttling of ions in segmented traps. We show that an architecture based on an array of microtraps with fast gates will outperform architectures based on ion shuttling. This system requires higher power lasers but does not require the manipulation of potentials or shuttling of ions. This improves optical access, reduces the complexity of the trap, and reduces the number of conductive surfaces close to the ions. The use of fast gates also removes limitations on the gate time. Error rates of 10-5 are shown to be possible with 250 mW laser power and a trap separation of 100 μ m . The performance of the gates is shown to be robust to the limitations in the laser repetition rate and the presence of many ions in the trap array.

Detecting yocto (10-24) newton forces with trapped ions

CSIR Research Space (South Africa)

Uys, H

2010-09-01

Full Text Available This article reports on a calibrated measurement of 174 Yoctonewton using a cloud of 60 9 Be+ ion confined in a Penning ion trap. These measurements suggest that ion traps may form the basis of a new class of ultrasensitive deployable force sensors....

Accelerated solvent extraction followed by on-line solid-phase extraction coupled to ion trap LC/MS/MS for analysis of benzalkonium chlorides in sediment samples

Science.gov (United States)

Ferrer, I.; Furlong, E.T.

2002-01-01

Benzalkonium chlorides (BACs) were successfully extracted from sediment samples using a new methodology based on accelerated solvent extraction (ASE) followed by an on-line cleanup step. The BACs were detected by liquid chromatography/ion trap mass spectrometry (LC/MS) or tandem mass spectrometry (MS/MS) using an electrospray interface operated in the positive ion mode. This methodology combines the high efficiency of extraction provided by a pressurized fluid and the high sensitivity offered by the ion trap MS/MS. The effects of solvent type and ASE operational variables, such as temperature and pressure, were evaluated. After optimization, a mixture of acetonitrile/water (6:4 or 7:3) was found to be most efficient for extracting BACs from the sediment samples. Extraction recoveries ranged from 95 to 105% for C12 and C14 homologues, respectively. Total method recoveries from fortified sediment samples, using a cleanup step followed by ASE, were 85% for C12BAC and 79% for C14-BAC. The methodology developed in this work provides detection limits in the subnanogram per gram range. Concentrations of BAC homologues ranged from 22 to 206 ??g/kg in sediment samples from different river sites downstream from wastewater treatment plants. The high affinity of BACs for soil suggests that BACs preferentially concentrate in sediment rather than in water.

Two-dimensional analysis of trapped-ion eigenmodes

International Nuclear Information System (INIS)

Marchand, R.; Tang, W.M.; Rewoldt, G.

1979-11-01

A fully two-dimensional eigenmode analysis of the trapped-ion instability in axisymmetric toroidal geometry is presented. The calculations also takes into account the basic dynamics associated with other low frequency modes such as the trapped-electron instability and the ion-temperature-gradient instability. The poloidal structure of the mode is taken into account by Fourier expanding the perturbed electrostatic potential, PHI, in theta

Cavity QED with single trapped Ca+-ions

International Nuclear Information System (INIS)

Mundt, A.B.

2003-02-01

This thesis reports on the design and setup of a vacuum apparatus allowing the investigation of cavity QED effects with single trapped 40 Ca + ions. The weak coupling of ion and cavity in the 'bad cavity limit' may serve to inter--convert stationary and flying qubits. The ion is confined in a miniaturized Paul trap and cooled via the Doppler effect to the Lamb--Dicke regime. The extent of the atomic wave function is less than 30 nm. The ion is enclosed by a high finesse optical cavity. The technically--involved apparatus allows movement of the trap relative to the cavity and the trapped ion can be placed at any position in the standing wave. By means of a transfer lock the cavity can be resonantly stabilized with the S 1/2 ↔ D 5/2 quadrupole transition at 729 nm (suitable as a qubit) without light at that wavelength being present in the cavity. The coupling of the cavity field to the S 1/2 ↔ D 5/2 quadrupole transition is investigated with various techniques in order to determine the spatial dependence as well as the temporal dynamics. The orthogonal coupling of carrier and first--order sideband transitions at field nodes and antinodes is explored. The coherent interaction of the ion and the cavity field is confirmed by exciting Rabi oscillations with short resonant pulses injected into the cavity. Finally, first experimental steps towards the observation of cavity enhanced spontaneous emission have been taken. (author)

Optimization of the combination micro-high-performance liquid-chromatography/mass spectrometry

International Nuclear Information System (INIS)

Haider, K.

1997-03-01

The coupling of liquid chromatography and mass spectrometry is still growing in significance. In this thesis, a particle beam interface has been investigated for combining ion chromatography with mass spectrometric detection. To introduce the eluent directly (without membrane suppressor) into the spectrometer, only methods with low flow rates like microcolumn chromatography can be used. For the preparation of the columns, reversed-phase and silica-based anion exchange materials were packed into PEEK, steel and fused-silica capillaries with i.d. from 130 to 1000 μm using different methods. The performance of the particle beam interface (modified with a new miniaturized aerosol generator) and the mass spectrometric detection has been studied for a series of inorganic anions as well as aminopolycarboxylic acids and the metal-EDTA complexes. Detection limits between 10 and 100 ng injected could be achieved in the multiple ion detection mode of the mass spectrometer for the investigated solutes. A second type of interface, the direct liquid introduction (DLI) has been used to analyze the priority pollutant phenols. This interface is based on a modified GC-interface into the MS. Separation columns used so far include packed fused-silica capillaries with inner diameter of 75 μm and polystyrene-divinylbenzene (functionalized with tert. butyl groups) as stationary phase. Aspects of instrumentation and effects of chemical ionization in the direct liquid introduction mode are discussed. (author)

A four dimensional separation method based on continuous heart-cutting gas chromatography with ion mobility and high resolution mass spectrometry.

Science.gov (United States)

Lipok, Christian; Hippler, Jörg; Schmitz, Oliver J

2018-02-09

A two-dimensional GC (2D-GC) method was developed and coupled to an ion mobility-high resolution mass spectrometer, which enables the separation of complex samples in four dimensions (2D-GC, ion mobilility spectrometry and mass spectrometry). This approach works as a continuous multiheart-cutting GC-system (GC+GC), using a long modulation time of 20s, which allows the complete transfer of most of the first dimension peaks to the second dimension column without fractionation, in comparison to comprehensive two-dimensional gas chromatography (GCxGC). Hence, each compound delivers only one peak in the second dimension, which simplifies the data handling even when ion mobility spectrometry as a third and mass spectrometry as a fourth dimension are introduced. The analysis of a plant extract from Calendula officinales shows the separation power of this four dimensional separation method. The introduction of ion mobility spectrometry provides an additional separation dimension and allows to determine collision cross sections (CCS) of the analytes as a further physicochemical constant supporting the identification. A CCS database with more than 800 standard substances including drug-like compounds and pesticides was used for CCS data base search in this work. Copyright © 2017 Elsevier B.V. All rights reserved.

Structural characterization of phospholipids by matrix-assisted laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry.

Science.gov (United States)

Marto, J A; White, F M; Seldomridge, S; Marshall, A G

1995-11-01

Matrix-assisted laser desorption/ionization (MALDI) Fourier transform ion cyclotron resonance mass spectrometry provides for structural analysis of the principal biological phospholipids: glycerophosphatidylcholine, -ethanolamine, -serine, and -inositol. Both positive and negative molecular or quasimolecular ions are generated in high abundance. Isolated molecular ions may be collisionally activated in the source side of a dual trap mass analyzer, yielding fragments serving to identify the polar head group (positive ion mode) and fatty acid side chains (negative ion mode). Azimuthal quadrupolar excitation following collisionally activated dissociation refocuses productions close to the solenoid axis; subsequent transfer of product ions to the analyzer ion trap allows for high-resolution mass analysis. Cyro-cooling of the sample probe with liquid nitrogen greatly reduces matrix adduction encountered in the negative ion mode.

Sympathetic Wigner-function tomography of a dark trapped ion

DEFF Research Database (Denmark)

Mirkhalaf, Safoura; Mølmer, Klaus

2012-01-01

A protocol is provided to reconstruct the Wigner function for the motional state of a trapped ion via fluorescence detection on another ion in the same trap. This “sympathetic tomography” of a dark ion without optical transitions suitable for state measurements is based on the mapping of its...

Methylene-transfer reactions of benzylium/tropylium ions with neutral toluene studied by means of ion-trap mass spectrometry

Czech Academy of Sciences Publication Activity Database

Zins, E. L.; Pepe, C.; Schröder, Detlef

2010-01-01

Roč. 145, - (2010), s. 157-169 E-ISSN 1364-5498 Grant - others: ERC (XE) HORIZOMS AdG226373 Institutional research plan: CEZ:AV0Z40550506 Keywords : benzylium * electrospray ionization * infrared spectroscopy * ion trap * tropylium Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.538, year: 2010

Atomic physics of highly charged ions in an electron beam ion trap

International Nuclear Information System (INIS)

Marrs, R.E.

1990-07-01

Two electron beam ion traps are in use at LLNL for the purpose of studying the properties of very highly charged ions and their interactions with electrons. This paper reviews the operation of the traps and discusses recent experiments in three areas: precision transition energy measurements in the limit of very high ion charge, dielectronic recombination measurements for the He-like isoelectronic sequence, and measurements of x-ray polarization. 22 refs., 11 figs., 1 tab

Determination of ethephon residues in water by gas chromatography with cubic mass spectrometry after ion-exchange purification and derivatisation with N-(tert-butyldimethylsilyl)-N-methyltrifluoroacetamide.

Science.gov (United States)

Royer, A; Laporte, F; Bouchonnet, S; Communal, P-Y

2006-03-03

An analytical method has been developed for the determination of residues of ethephon (2-chloroethyl phosphonic acid) in drinking and surface water. The procedure is based on de-ionisation with an anion/cation-exchange resin, solid phase extraction by means of anion-exchange polystyrene-divinylbenzene extraction disks, elution with a mixture of methanol and 10 M hydrochloric acid (98/2, v/v), redisolution into acetonitrile after evaporation and silylation with N-(tert-butyldimethylsilyl)-N-methyltrifluoroacetamide (MTBSTFA). Quantification is performed by gas chromatography with ion-trap cubic mass spectrometric detection in the electron impact mode (GC-EI-MS3). Method validation was conducted using samples of mineral, tap, and river water that were fortified with ethephon at concentration levels ranging from 0.1 to 1.0 microg/L. The mean recovery from all the fortified samples (n = 36) amounted to 88% with a relative standard deviation of 17%. The method, therefore, was shown to allow accurate determination of ethephon residues in drinking and surface water with a limit of quantification of 0.1 microg/L.

HITRAP: A Facility for Experiments with Trapped Highly Charged Ions

International Nuclear Information System (INIS)

Quint, W.; Dilling, J.; Djekic, S.; Haeffner, H.; Hermanspahn, N.; Kluge, H.-J.; Marx, G.; Moore, R.; Rodriguez, D.; Schoenfelder, J.; Sikler, G.; Valenzuela, T.; Verdu, J.; Weber, C.; Werth, G.

2001-01-01

HITRAP is a planned ion trap facility for capturing and cooling of highly charged ions produced at GSI in the heavy-ion complex of the UNILAC-SIS accelerators and the ESR storage ring. In this facility heavy highly charged ions up to uranium will be available as bare nuclei, hydrogen-like ions or few-electron systems at low temperatures. The trap for receiving and studying these ions is designed for operation at extremely high vacuum by cooling to cryogenic temperatures. The stored highly charged ions can be investigated in the trap itself or can be extracted from the trap at energies up to about 10 keV/q. The proposed physics experiments are collision studies with highly charged ions at well-defined low energies (eV/u), high-accuracy measurements to determine the g-factor of the electron bound in a hydrogen-like heavy ion and the atomic binding energies of few-electron systems, laser spectroscopy of HFS transitions and X-ray spectroscopy

Determination of organophosphorus acids by thermo-spray liquid chromatography-mass spectrometry

NARCIS (Netherlands)

Wils, E.R.J.; Hulst, A.G.

1988-01-01

The determination of thirteen organophosphorus acids, hydrolysis products of nerve agents and pesticides, by a combination of ion-pair liquid chromatography on a reversed-phase C18 column and thermospray mass spectrometry was investigated. Ammonium acetate and three tetraalkylammonium salts with

Ion exclusion chromatography for the purification of L-glutamine; Ion haijo chromatography ni yoru L-glutamine no seiseiho no kenkyu

Energy Technology Data Exchange (ETDEWEB)

Ito, H.; Nishi, A.; Naruse, M. [Ajinomoto Co. Inc., Kawasaki (Japan)

1998-09-05

Ion exclusion chromatography for the purification of L-glutamine is studied. L-glutamine is usually produced by fermentation and used in pharmaceuticals. By using a model solution of L-glutamine and L-glutamic acid, the optimum cation exchange resin is examined. As a result of the experiments, it is found that a cation exchange resin which has smaller crosslinkage and smaller diameter is better. Ammonium sulfate, L-glutamic acid and pyrrolidonecarboxylic acid, which are usually contained in fermentation broth as impurities, are effectively separated by this method. Moreover, the experimental data of the chromatography is expressed fairly well by the differential equations which express the mass transfer in the fixed bed. 8 refs., 5 figs., 2 tabs.

Note: Ion source design for ion trap systems

Science.gov (United States)

Noriega, J. R.; Quevedo, M.; Gnade, B.; Vasselli, J.

2013-06-01

A small plasma (glow discharge) based ion source and circuit are described in this work. The ion source works by producing a high voltage pulsed discharge between two electrodes in a pressure range of 50-100 mTorr. A third mesh electrode is used for ion extraction. The electrodes are small stainless steel screws mounted in a MACOR ionization chamber in a linear arrangement. The electrode arrangement is driven by a circuit, design for low power operation. This design is a proof of concept intended for applications on small cylindrical ion traps.

Buffer gas cooling of ions stored in an R.F. trap: Computed properties of the ionic cloud

International Nuclear Information System (INIS)

Alili, A.; Andre, J.; Vedel, F.

1988-01-01

The spatial and energetic properties of an ion cloud confined in an RF quadrupole trap, together with the lifetimes of the confined ions, have been computed by statistical methods and recently by a simulation method. The influences of different parameters such as ion mass, buffer gas mass, working point in the stability diagram, 'weak' space-charge and shape of the velocity distribution of the cooling buffer gas have been investigated and are described. (orig.)

Determination of selenite and selenate in human urine by ion chromatography and inductively coupled plasma mass spectrometry

DEFF Research Database (Denmark)

Gammelgaard, Bente; Jons, O.

2000-01-01

The selenium species selenite, selenate and selenomethionine were separated in aqueous solution by ion chromatography. The separation was performed on an IonPac AG11 in series with an AS11 anion exchange column by elution with 25 mM sodium hydroxide in 2% methanol. The Se-78 and Se-82 isotopes were...... monitored in the inductively coupled plasma mass spectrometry (ICP-MS) detector. When the chromatographic system was applied to analysis of urine samples diluted 1 + 1, the selenomethionine signal appeared in the front together with other unresolved selenium species, while the selenite and selenate signals...... and selenate, respectively, corresponding to absolute amounts of 8 and 16 pg, respectively. Calculations were based on peak height measurements of the Se-82 isotope. In 23 analysed urine samples, the concentration of selenite was in the range selenium...

Quantitative determination of sotolon, maltol and free furaneol in wine by solid-phase extraction and gas chromatography-ion-trap mass spectrometry.

Science.gov (United States)

Ferreira, Vicente; Jarauta, Idoia; López, Ricardo; Cacho, Juan

2003-08-22

A method for the analytical determination of sotolon [4,5-dimethyl-3-hydroxy-2(5H)-furanone], maltol [3-hydroxy-2-methyl-4H-pyran-4-one] and free furaneol [2,5-dimethyl-4-hydroxy-3(2H)-furanone] in wine has been developed. The analytes are extracted from 50 ml of wine in a solid-phase extraction cartridge filled with 800 mg of LiChrolut EN resins. Interferences are removed with 15 ml of a pentane-dichloromethane (20:1) solution, and analytes are recovered with 6 ml of dichloromethane. The extract is concentrated up to 0.1 ml and analyzed by GC-ion trap MS. Maltol and sotolon were determined by selected ion storage of ions in the m/z ranges 120-153 and 79-95, using the ions m/z 126 and 83 for quantitation, respectively. Furaneol was determined by non-resonant fragmentation of the m/z 128 mother ion and subsequent analysis of the m/z 81 ion. The detection limits of the method are in all cases between 0.5 and 1 microg l(-1), well below the olfactory thresholds of the compounds. The precision of the method is in the 4-5% range for levels in wine around 20 microg l(-1). Linearity holds at least up to 400 microg l(-1), and is satisfactory in all cases. The recoveries of maltol and sotolon are constant (70 and 64%, respectively) and do not depend on the type of wine. On the contrary, in the case of furaneol, red wines show constant and high recoveries (97%), while the recoveries on white wines range between 30 and 80%. Different experiments showed that this behavior is probably due to the existence of complexes formed between furaneol and sulphur dioxide or catechols. Sensory experiments confirmed that the complexed forms found in white wines are not perceived by orthonasal olfaction, and that the furaneol determined by the method can be considered as the free and odor-active fraction.

Calibration and fluctuation of the secular frequency peak amplitude versus initial condition distribution of the ion cloud confined into a three-dimensional quadrupole ion trap using a fourier transform operating mode and a steady ion flow injection mode

International Nuclear Information System (INIS)

Janulyte, A.; Andre, J.; Carette, M.; Mercury, M.; Reynard, C; Zerega, Y.

2009-01-01

A specific Fourier transform operating mode is applied to a 3-dimensional quadrupolar ion trap for mass analysis (Fourier Transform Quadrupolar Ion Trap (FTQIT) Operating Mode or Mass Spectrometer). With this operating mode, an image signal, which is representative of the collective motion of simultaneously confined ions, is made up from a set of recorded time-of-flight histograms. In an ion trap, the secular frequency of ion motion depends on m/Z ratio of the ion. By Fourier transformation of the image signal, one observes the frequency peak of each confined ionic species. When only one ionic species is confined, the peak amplitude is proportional to the maximal amplitude of the image signal. The maximal amplitude of the image signal is expressed according to the operating parameters, the initial conditions of the ions and the number of ions. Simulation tools lead to fluctuation calculation of the maximal amplitude of the image signal. Two origins are explored: (1) the fluctuation of the numbers of ions according to the steady ion flow injection mode (SIFIM) used with this operating mode and (2) the distribution fluctuation of the initial positions and velocities. Initial confinement conditions, obtained with SIFIM injection mode, lead to optimal detection with small fluctuations of the peak amplitude for Fourier transform operating mode applied to an ion trap. (authors)

Application of ion mobility-mass spectrometry to microRNA analysis.

Science.gov (United States)

Takebayashi, Kosuke; Hirose, Kenji; Izumi, Yoshihiro; Bamba, Takeshi; Fukusaki, Eiichiro

2013-03-01

Liquid chromatography/mass spectrometry is widely used for studying sequence determination and modification analysis of small RNAs. However, the efficiency of liquid chromatography-based separation of intact small RNA species is insufficient, since the physiochemical properties among small RNAs are very similar. In this study, we focused on ion mobility-mass spectrometry (IM-MS), which is a gas-phase separation technique coupled with mass spectrometry; we have evaluated the utility of IM-MS for microRNA (miRNA) analysis. A multiply charged deprotonated ion derived from an 18-24-nt-long miRNA was formed by electrospray ionization, and then the time, called the "drift time", taken by each ion to migrate through a buffer gas was measured. Each multivalent ion was temporally separated on the basis of the charge state and structural formation; 3 types of unique mass-mobility correlation patterns (i.e., chainlike-form, hairpin-form, and dimer-form) were present on the two-dimensional mobility-mass spectrum. Moreover, we found that the ion size (sequence length) and the secondary structures of the small RNAs strongly contributed to the IM-MS-based separation, although solvent conditions such as pH had no effect. Therefore, sequence isomers could also be discerned by the selection of each specific charged ion, i.e., the 6(-) charged ion reflected a majority among chainlike-, hairpin-, and other structures. We concluded that the IM-MS provides additional capability for separation; thus, this analytical method will be a powerful tool for comprehensive small RNA analysis. Copyright © 2012. Published by Elsevier B.V.

Trapping behaviour of deuterium ions implanted into tungsten simultaneously with carbon ions

International Nuclear Information System (INIS)

Kobayashi, Makoto; Suzuki, Sachiko; Wang, Wanjing; Kurata, Rie; Kida, Katsuya; Oya, Yasuhisa; Okuno, Kenji; Ashikawa, Naoko; Sagara, Akio; Yoshida, Naoaki

2009-01-01

The trapping behaviour of deuterium ions implanted into tungsten simultaneously with carbon ions was investigated by thermal desorption spectroscopy (TDS) and x-ray photoelectron spectroscopy (XPS). The D 2 TDS spectrum consisted of three desorption stages, namely desorption of deuterium trapped by intrinsic defects, ion-induced defects and carbon with the formation of the C-D bond. Although the deuterium retention trapped by intrinsic defects was almost constant, that by ion-induced defects increased as the ion fluence increased. The retention of deuterium with the formation of the C-D bond was saturated at an ion fluence of 0.5x10 22 D + m -2 , where the major process was changed from the sputtering of tungsten with the formation of a W-C mixture to the formation of a C-C layer, and deuterium retention as the C-D bond decreased. It was concluded that the C-C layer would enhance the chemical sputtering of carbon with deuterium with the formation of CD x and the chemical state of carbon would control the deuterium retention in tungsten under C + -D 2 + implantation.

Demonstration of Cold 40Ca+ Ions Confined in a Microscopic Surface-Electrode Ion Trap

International Nuclear Information System (INIS)

Chen Liang; Wan Wei; Xie Yi; Wu Hao-Yu; Zhou Fei; Feng Mang

2013-01-01

40 Ca + ions are successfully confined, under the cooling of a red-detuned laser, in a home-built microscopic surface-electrode (MSE) trap. With all electrodes deposited on a low-rf-loss substrate, our 500-μm-scale MSE trap is designed involving three potential wells and manufactured by the standard technique of the printed circuit board. Both linear and two-dimensional crystals of 40 Ca + are observed in the trap after preliminary micromotion compensation is carried out. The development of the MSE trap aims at large-scale trapped-ion quantum information processing

CrossRef Space-charge effects in Penning ion traps

CERN Document Server

Porobić, T; Breitenfeldt, M; Couratin, C; Finlay, P; Knecht, A; Fabian, X; Friedag, P; Fléchard, X; Liénard, E; Ban, G; Zákoucký, D; Soti, G; Van Gorp, S; Weinheimer, Ch; Wursten, E; Severijns, N

2015-01-01

The influence of space-charge on ion cyclotron resonances and magnetron eigenfrequency in a gas-filled Penning ion trap has been investigated. Off-line measurements with View the MathML source using the cooling trap of the WITCH retardation spectrometer-based setup at ISOLDE/CERN were performed. Experimental ion cyclotron resonances were compared with ab initio Coulomb simulations and found to be in agreement. As an important systematic effect of the WITCH experiment, the magnetron eigenfrequency of the ion cloud was studied under increasing space-charge conditions. Finally, the helium buffer gas pressure in the Penning trap was determined by comparing experimental cooling rates with simulations.

Study of ion exchange equilibrium and determination of heat of ion exchange by ion chromatography

International Nuclear Information System (INIS)

Liu Kailu; Yang Wenying

1996-01-01

Ion chromatography using pellicularia ion exchange resins and dilute solution can be devoted to the study of ion exchange thermodynamics and kinetics. Ion exchange equilibrium equation was obtained, and examined by the experiments. Based on ion exchange equilibrium, the influence of eluent concentration and resin capacity on adjusted retention volumes was examined. The effect of temperature on adjusted retention volumes was investigated and heats of ion exchange of seven anions were determined by ion chromatography. The interaction between anions and skeleton structure of resins were observed

Reducing Motional Decoherence in Ion Traps with Surface Science Methods

Science.gov (United States)

Haeffner, Hartmut

2014-03-01

Many trapped ions experiments ask for low motional heating rates while trapping the ions close to trapping electrodes. However, in practice small ion-electrode distances lead to unexpected high heating rates. While the mechanisms for the heating is still unclear, it is now evident that surface contamination of the metallic electrodes is at least partially responsible for the elevated heating rates. I will discuss heating rate measurements in a microfabricated surface trap complemented with basic surface science studies. We monitor the elemental surface composition of the Cu-Al alloy trap with an Auger spectrometer. After bake-out, we find a strong Carbon and Oxygen contamination and heating rates of 200 quanta/s at 1 MHz trap frequency. After removing most of the Carbon and Oxygen with Ar-Ion sputtering, the heating rates drop to 4 quanta/s. Interestingly, we still measure the decreased heating rate even after the surface oxidized from the background gas throughout a 40-day waiting time in UHV.

Parallel Transport Quantum Logic Gates with Trapped Ions.

Science.gov (United States)

de Clercq, Ludwig E; Lo, Hsiang-Yu; Marinelli, Matteo; Nadlinger, David; Oswald, Robin; Negnevitsky, Vlad; Kienzler, Daniel; Keitch, Ben; Home, Jonathan P

2016-02-26

We demonstrate single-qubit operations by transporting a beryllium ion with a controlled velocity through a stationary laser beam. We use these to perform coherent sequences of quantum operations, and to perform parallel quantum logic gates on two ions in different processing zones of a multiplexed ion trap chip using a single recycled laser beam. For the latter, we demonstrate individually addressed single-qubit gates by local control of the speed of each ion. The fidelities we observe are consistent with operations performed using standard methods involving static ions and pulsed laser fields. This work therefore provides a path to scalable ion trap quantum computing with reduced requirements on the optical control complexity.

MSM, an Efficient Workflow for Metabolite Identification Using Hybrid Linear Ion Trap Orbitrap Mass Spectrometer

Science.gov (United States)

Cho, Robert; Huang, Yingying; Schwartz, Jae C.; Chen, Yan; Carlson, Timothy J.; Ma, Ji

2012-05-01

Identification of drug metabolites can often yield important information regarding clearance mechanism, pharmacologic activity, or toxicity for drug candidate molecules. Additionally, the identification of metabolites can provide beneficial structure-activity insight to help guide lead optimization efforts towards molecules with optimal metabolic profiles. There are challenges associated with detecting and identifying metabolites in the presence of complex biological matrices, and new LC-MS technologies have been developed to meet these challenges. In this report, we describe the development of an experimental approach that applies unique features of the hybrid linear ion trap Orbitrap mass spectrometer to streamline in vitro and in vivo metabolite identification experiments. The approach, referred to as MSM, utilizes multiple collision cells, dissociation methods, mass analyzers, and detectors. With multiple scan types and different dissociation modes built into one experimental method, along with flexible post-acquisition analysis options, the MSM workflow offers an attractive option to fast and reliable identification of metabolites in different kinds of in vitro and in vivo samples. The MSM workflow was successfully applied to metabolite identification analysis of verapamil in both in vitro rat hepatocyte incubations and in vivo rat bile samples.

The streaming-trapped ion interface in the equatorial inner magnetosphere

Science.gov (United States)

Lin, J.; Horwitz, J. L.; Gallagher, D.; Pollock, C. J.

1994-01-01

Spacecraft measurements of core ions on L=4-7 field-lines typically show trapped ion distributions near the magnetic equator, and frequently indicate field-aligned ion streams at higher latitudes. The nature of the transition between them may indicate both the microphysics of hot-cold plasma interactions and overall consequences for core plasma evolution. We have undertaken a statistical analysis and characterization of this interface and its relation to the equatorial region of the inner magnetosphere. In this analysis, we have characterized such features as the equatorial ion flux anisotropy, the penetration of field-aligned ionospheric streams into the equatorial region, the scale of the transition into trapped ion populations, and the transition latitude. We found that most transition latitudes occur within 13 deg of the equator. The typical values of equatorial ion anisotropies are consistent with bi-Maxwellian temperature ratios of T(sub perpendicular)/T(sub parallel) in the range of 3-5. The latitudinal scales for the edges of the trapped ion populations display a rather strong peak in the 2-3 deg range. We also found that there is a trend for the penetration ratio, the anisotropy half width, and the transition scale length to decrease with a higher equatorial ion anisotropy. We may interpret these features in terms of Liouville mapping of equatorially trapped ions and the reflection of the incoming ionospheric ion streams from the equatorial potential peaks associated with such trapped ions.

Measurement of few-electron uranium ions on a high-energy electron beam ion trap

International Nuclear Information System (INIS)

Beiersdorfer, P.

1994-01-01

The high-energy electron beam ion trap, dubbed Super-EBIT, was used to produce, trap, and excite uranium ions as highly charged as fully stripped U 92+ . The production of such highly charged ions was indicated by the x-ray emission observed with high-purity Ge detectors. Moreover, high-resolution Bragg crystal spectromters were used to analyze the x-ray emission, including a detailed measurement of both the 2s 1/2 -2p 3/2 electric dipole and 2p 1/2 -2p 3/2 magnetic dipole transitions. Unlike in ion accelerators, where the uranium ions move at relativistic speeds, the ions in this trap are stationary. Thus very precise measurements of the transition energies could be made, and the QED contribution to the transition energies could be measured within less than 1 %. Details of the production of these highly charged ions and their measurement is given

Chemical characterization of individual microparticles using an ion trap: real-time chemical analysis of aerosol particles

International Nuclear Information System (INIS)

Yang, Mo; Whitten, W.B.; Reilly, P.T.A.; Gieray, R.; Ramsey, J.M.

1996-01-01

This paper describes initial experiments to perform laser ablation mass spectrometry in real time on airborne microparticles. The microparticles are sampled directly from the air by a particle inlet system into the vacuum chamber of a mass spectrometer. An incoming particle is detected as it passes through two CW laser beams and a pulsed laser is triggered to intercept the particle for laser ablation/ionization in the mass spectrometer. The initial studies were made with an existing ion trap mass spectrometer with the particle sampling occurring at the center of the trap electrodes. Performance of the inlet system, particle detection, and preliminary results are described

Geometric Phases for Mixed States in Trapped Ions

International Nuclear Information System (INIS)

Lu Hongxia

2006-01-01

The generalization of geometric phase from the pure states to the mixed states may have potential applications in constructing geometric quantum gates. We here investigate the mixed state geometric phases and visibilities of the trapped ion system in both non-degenerate and degenerate cases. In the proposed quantum system, the geometric phases are determined by the evolution time, the initial states of trapped ions, and the initial states of photons. Moreover, special periods are gained under which the geometric phases do not change with the initial states changing of photon parts in both non-degenerate and degenerate cases. The high detection efficiency in the ion trap system implies that the mixed state geometric phases proposed here can be easily tested.

Stable Trapping of Multielectron Helium Bubbles in a Paul Trap

Science.gov (United States)

Joseph, E. M.; Vadakkumbatt, V.; Pal, A.; Ghosh, A.

2017-06-01

In a recent experiment, we have used a linear Paul trap to store and study multielectron bubbles (MEBs) in liquid helium. MEBs have a charge-to-mass ratio (between 10^{-4} and 10^{-2} C/kg) which is several orders of magnitude smaller than ions (between 10^6 and 10^8 C/kg) studied in traditional ion traps. In addition, MEBs experience significant drag force while moving through the liquid. As a result, the experimental parameters for stable trapping of MEBs, such as magnitude and frequency of the applied electric fields, are very different from those used in typical ion trap experiments. The purpose of this paper is to model the motion of MEBs inside a linear Paul trap in liquid helium, determine the range of working parameters of the trap, and compare the results with experiments.

An automated method for the analysis of phenolic acids in plasma based on ion-pairing micro-extraction coupled on-line to gas chromatography/mass spectrometry with in-liner derivatisation

NARCIS (Netherlands)

Peters, S.; Kaal, E.; Horsting, I.; Janssen, H.-G.

2012-01-01

A new method is presented for the analysis of phenolic acids in plasma based on ion-pairing ‘Micro-extraction in packed sorbent’ (MEPS) coupled on-line to in-liner derivatisation-gas chromatography-mass spectrometry (GC-MS). The ion-pairing reagent served a dual purpose. It was used both to improve

Experimental characterization of the Hitrap Cooler trap with highly charged ions.

OpenAIRE

Fedotova, Svetlana

2013-01-01

The HITRAP (Highly charged Ions TRAP)facility is being set up and commissioned at GSI, Darmstadt. It will provide heavy, highly charged ions at low velocities to high-precision atomic physics experiments. Within this work the Cooler trap- the key element of the HITRAP facility was tested. The Cooler trap was assembled, aligned, and commissioned in trapping experiments with ions from off-line sources.The work performed within the scope of this thesis provided the baseline for further operation...

Commissioning of the double Penning trap system MLLTRAP

International Nuclear Information System (INIS)

Kolhinen, V.S.; Bussmann, M.; Gartzke, E.; Habs, D.; Neumayr, J.B.; Schuermann, C.; Szerypo, J.; Thirolf, P.G.

2009-01-01

A cylindrical double Penning trap system has been installed and commissioned at the Maier-Leibnitz-Laboratory (MLL) in Garching. This trap system has been designed to isobarically purify low-energy ion beams and perform highly accurate mass measurements. Technical details of the device and the first results of the commissioning measurements will be presented. The mass resolving power achieved in the first trap for 85 Rb ions is R=139(2)x10 3 , while a relative mass uncertainty of δm/m=2.9x10 -8 was reached with the second trap (no analysis of systematic uncertainties included) when using 87 Rb as a reference ion for 85 Rb.

From transistor to trapped-ion computers for quantum chemistry.

Science.gov (United States)

Yung, M-H; Casanova, J; Mezzacapo, A; McClean, J; Lamata, L; Aspuru-Guzik, A; Solano, E

2014-01-07

Over the last few decades, quantum chemistry has progressed through the development of computational methods based on modern digital computers. However, these methods can hardly fulfill the exponentially-growing resource requirements when applied to large quantum systems. As pointed out by Feynman, this restriction is intrinsic to all computational models based on classical physics. Recently, the rapid advancement of trapped-ion technologies has opened new possibilities for quantum control and quantum simulations. Here, we present an efficient toolkit that exploits both the internal and motional degrees of freedom of trapped ions for solving problems in quantum chemistry, including molecular electronic structure, molecular dynamics, and vibronic coupling. We focus on applications that go beyond the capacity of classical computers, but may be realizable on state-of-the-art trapped-ion systems. These results allow us to envision a new paradigm of quantum chemistry that shifts from the current transistor to a near-future trapped-ion-based technology.

Eliminating degradation and uncovering ion-trapping dynamics in electrochromic WO3 thin films

Science.gov (United States)

Wen, Rui-Tao; Granqvist, Claes G.; Niklasson, Gunnar A.

2015-01-01

Amorphous WO3 thin films are of keen interest as cathodic electrodes in transmittance-modulating electrochromic devices. However, these films suffer from ion-trapping-induced degradation of optical modulation and reversibility upon extended Li+-ion exchange. Here, we demonstrate that ion-trapping-induced degradation, which is commonly believed to be irreversible, can be successfully eliminated by constant-current-driven de-trapping, i.e., WO3 films can be rejuvenated and regain their initial highly reversible electrochromic performance. Pronounced ion-trapping occurs when x exceeds ~0.65 in LixWO3 during ion insertion. We find two main kinds of Li+-ion trapping sites (intermediate and deep) in WO3, where the intermediate ones are most prevalent. Li+-ions can be completely removed from intermediate traps but are irreversibly bound in deep traps. Our results provide a general framework for developing and designing superior electrochromic materials and devices. PMID:26259104

Nested Penning Trap as a Source of Singly Charged Ions

International Nuclear Information System (INIS)

Ordonez, C.A.

2003-01-01

In the work reported, the possibility of using a nested Penning trap as a high purity source of low-charge-state ions is studied. For the configuration considered, a relatively dense ion plasma is confined by a three-dimensional electric potential well. The three-dimensional well is produced by the electric field generated by both the trap electrodes and a trapped electron plasma. The ion and electron plasmas are each considered to have Maxwellian velocity distributions. However, it is shown that the electron plasma must have a temperature that is higher than that of the ion plasma when the ions have low charge states. The work reported includes a self-consistent prediction of a possible plasma equilibrium

Spectral measurements of few-electron uranium ions produced and trapped in a high-energy electron beam ion trap

International Nuclear Information System (INIS)

Beiersdorfer, P.

1994-01-01

Measurements of 2s l/2 -2p 3/2 electric dipole and 2p 1/2 -2p 3/2 magnetic dipole and electric quadrupole transitions in U 82+ through U 89+ have been made with a high-resolution crystal spectrometer that recorded the line radiation from stationary ions produced and trapped in a high-energy electron beam ion trap. From the measurements we infer -39.21 ± 0.23 eV for the QED contribution to the 2s 1/2 -2p 3/2 transition energy of lithiumlike U 89+ . A comparison between our measurements and various computations illustrates the need for continued improvements in theoretical approaches for calculating the atomic structure of ions with two or more electrons in the L shell

Non-thermalization in trapped atomic ion spin chains

Science.gov (United States)

Hess, P. W.; Becker, P.; Kaplan, H. B.; Kyprianidis, A.; Lee, A. C.; Neyenhuis, B.; Pagano, G.; Richerme, P.; Senko, C.; Smith, J.; Tan, W. L.; Zhang, J.; Monroe, C.

2017-10-01

Linear arrays of trapped and laser-cooled atomic ions are a versatile platform for studying strongly interacting many-body quantum systems. Effective spins are encoded in long-lived electronic levels of each ion and made to interact through laser-mediated optical dipole forces. The advantages of experiments with cold trapped ions, including high spatio-temporal resolution, decoupling from the external environment and control over the system Hamiltonian, are used to measure quantum effects not always accessible in natural condensed matter samples. In this review, we highlight recent work using trapped ions to explore a variety of non-ergodic phenomena in long-range interacting spin models, effects that are heralded by the memory of out-of-equilibrium initial conditions. We observe long-lived memory in static magnetizations for quenched many-body localization and prethermalization, while memory is preserved in the periodic oscillations of a driven discrete time crystal state. This article is part of the themed issue 'Breakdown of ergodicity in quantum systems: from solids to synthetic matter'.

Confirmatory analysis method for zeranol, its metabolites and related mycotoxins in urine by liquid chromatography-negative ion electrospray tandem mass spectrometry

International Nuclear Information System (INIS)

Bennekom, E.O. van; Brouwer, L.; Laurant, E.H.M.; Hooijerink, H.; Nielen, M.W.F.

2002-01-01

The determination of the banned anabolic substance zeranol and the metabolites taleranol and zearalanone in bovine urine is complicated by the occurrence of the structurally-related mycotoxin zearalenone and the corresponding α- and β-zearalenol metabolites which possess similar estrogenic properties. A liquid chromatography-negative ion electrospray tandem mass spectrometric method is presented for the confirmatory analysis of all six resorcylic acid lactones ('zeranols') in urine samples using deuterium-labelled internal standards. The method was validated as a confirmatory method for bovine urine samples according to new draft EU guidelines and showed good precision and linearity, and CCα and CCβ values of 0.02-0.30 and -1 , respectively. The applicability was demonstrated by comparing the results of an incurred sample with previous results on the same sample obtained by gas chromatography high resolution mass spectrometry. Preliminary data show that following a simple matrix solid phase dispersion clean-up, liver samples from poultry will be amenable to this method as well

Accurate and rapid modeling of iron–bleomycin-induced DNA damage using tethered duplex oligonucleotides and electrospray ionization ion trap mass spectrometric analysis

OpenAIRE

Harsch, Andreas; Marzilli, Lisa A.; Bunt, Richard C.; Stubbe, Joanne; Vouros, Paul

2000-01-01

Bleomycin B2 (BLM) in the presence of iron [Fe(II)] and O2 catalyzes single-stranded (ss) and double-stranded (ds) cleavage of DNA. Electrospray ionization ion trap mass spectrometry was used to monitor these cleavage processes. Two duplex oligonucleotides containing an ethylene oxide tether between both strands were used in this investigation, allowing facile monitoring of all ss and ds cleavage events. A sequence for site-specific binding and cleavage by Fe–BLM was incorporated into each an...

Determining Energies and Cross Sections of Individual Ions Using Higher-Order Harmonics in Fourier Transform Charge Detection Mass Spectrometry (FT-CDMS).

Science.gov (United States)

Harper, Conner C; Elliott, Andrew G; Lin, Haw-Wei; Williams, Evan R

2018-06-02

A general method for in situ measurements of the energy of individual ions trapped and weighed using charge detection mass spectrometry (CDMS) is described. Highly charged (> 300 e), individual polyethylene glycol (PEG) ions are trapped and oscillate within an electrostatic trap, producing a time domain signal. A segmented Fourier transform (FT) of this signal yields the temporal evolution of the fundamental and harmonic frequencies of ion motion throughout the 500-ms trap time. The ratio of the fundamental frequency and second harmonic (HAR) depends on the ion energy, which is an essential parameter for measuring ion mass in CDMS. This relationship is calibrated using simulated ion signals, and the calibration is compared to the HAR values measured for PEG ion signals where the ion energy was also determined using an independent method that requires that the ions be highly charged (> 300 e). The mean error of 0.6% between the two measurements indicates that the HAR method is an accurate means of ion energy determination that does not depend on ion size or charge. The HAR is determined dynamically over the entire trapping period, making it possible to observe the change in ion energy that takes place as solvent evaporates from the ion and collisions with background gas occur. This method makes it possible to measure mass changes, either from solvent evaporation or from molecular fragmentation (MS n ), as well as the cross sections of ions measured using CDMS. Graphical Abstract.

Atomic physics measurements in an electron Beam Ion Trap

International Nuclear Information System (INIS)

Marrs, R.E.; Beiersdorfer, P.; Bennett, C.

1989-01-01

An electron Beam Ion Trap at Lawrence Livermore National Laboratory is being used to produce and trap very-highly-charged ions (q ≤ 70/+/) for x-ray spectroscopy measurements. Recent measurements of transition energies and electron excitation cross sections for x-ray line emission are summarized. 13 refs., 10 figs

Rapid and Convenient Separation of Chitooligosaccharides by Ion-Exchange Chromatography

Science.gov (United States)

Wu, Yuxiao; Lu, Wei-Peng; Wang, Jianing; Gao, Yunhua; Guo, Yanchuan

2017-12-01

Pervious methods for separation of highly purified chitooligosaccharides was time-consuming and labor-intensive, which limited the large-scale production. This study developed a convenient ion-exchange chromatography using the ÄKTA™ avant 150 chromatographic system. Five fractions were automatically collected under detecting the absorption at 210 nm. The fractions were analyzed by high-performance liquid chromatography. It proved that they primarily comprised chitobiose, chitotriose, chitotetraose, chitopentaose, and chitohexaose, respectively, with chromatographic purities over 90%. The separation process was rapid, convenient and could be monitored on-line, which would be benefit for the mass production of chitooligosaccharides.

Status of THe-trap

Energy Technology Data Exchange (ETDEWEB)

Ketter, Jochen; Eronen, Tommi; Hoecker, Martin; Streubel, Sebastian; Blaum, Klaus [Max-Planck-Institut fuer Kernphysik, Heidelberg (Germany); Van Dyck, Robert S. Jr. [Department of Physics, University of Washington, Seattle, WA (United States)

2012-07-01

Originally developed at the University of Washington and relocated to the Max-Planck-Institut fuer Kernphysik in 2008, the Penning-trap spectrometer THe-Trap is specially tailored for a {sup 3}H/{sup 3}He mass-ratio measurement, from which the Q-value of the beta-decay of {sup 3}H to {sup 3}He can be derived. Improving the current best value by at least an order of magnitude will provide an important independent test parameter for the determination of the electron-antineutrino's mass by the Karlsruhe Tritium Neutrino Experiment (KATRIN). However, Penning-trap mass spectrometry has to be pushed to its limits in a dedicated experiment for a sufficiently accurate mass-ratio measurement with a relative uncertainty of 10{sup -11}. Unlike the closed-envelope, single-trap predecessor, the new spectrometer features an external ion source, owing to the radioactive nature of tritium, and two traps in order to speed up the measurement cycle. While the double-trap technique holds great promise, it also calls for more intricate procedures, such as ion transfer. Details about the recent progress of the experiment are given.

Identification of alkyl dimethylbenzylammonium surfactants in water samples by solid-phase extraction followed by ion trap LC/MS and LC/MS/MS

Science.gov (United States)

Ferrer, I.; Furlong, E.T.

2001-01-01

A novel methodology was developed for the determination of alkyl (C12, C14, and C16) dimethylbenzylammonium chloride (benzalkonium chloride or BAC, Chemical Abstract Service number: 8001-54-5) in water samples. This method is based on solid-phase extraction (SPE) using polymeric cartridges, followed by high-performance liquid chromatography/ion trap mass spectrometry (LC/MS) and tandem mass spectrometry(MS/MS) detection, equipped with an electrospray interface in positive ion mode. Chromatographic separation was achieved for three BAC homologues by using a C18 column and a gradient of acetonitrile/10 millimolar aqueous ammonium formate. Total method recoveries were higher than 71% in different water matrices. The main ions observed by LC/MS were at mass-to-charge ratios (m/z) of 304, 332, and 360, which correspond to the molecular ions of the C12, C14, and C16 alkyl BAC, respectively. The unequivocal structural identification of these compounds in water samples was performed by LC/MS/MS after isolation and subsequent fragmentation of each molecular ion. The main fragmentation observed for the three different homologues corresponded to the loss of the toluyl group in the chemical structure, which leads to the fragment ions at m/z 212, 240, and 268 and a tropylium ion, characteristic of all homologues, at m/z 91. Detection limits for the methodology developed in this work were in the low nanogram-per-liter range. Concentration levels of BAC - ranging from 1.2 to 36.6 micrograms per liter - were found in surface-water samples collected downstream from different wastewater-treatment discharges, thus indicating its input and persistence through the wastewater-treatment process.

High-Precision Mass Measurements of Exotic Nuclei with the Triple-Trap Mass Spectrometer Isoltrap

CERN Multimedia

Blaum, K; Zuber, K T; Stanja, J

2002-01-01

The masses of close to 200 short-lived nuclides have already been measured with the mass spectrometer ISOLTRAP with a relative precision between 1$\\times$10$^{-7}$ and 1$\\times$10^{-8}$. The installatin of a radio-frequency quadrupole trap increased the overall efficiency by two orders of magnitude which is at present about 1%. In a recent upgrade, we installed a carbon cluster laser ion source, which will allow us to use carbon clusters as mass references for absolute mass measurements. Due to these improvements and the high reliability of ISOLTRAP we are now able to perform accurate high-precision mass measurements all over the nuclear chart. We propose therefore mass measurements on light, medium and heavy nuclides on both sides of the valley of stability in the coming four years. ISOLTRAP is presently the only instrument capable of the high precision required for many of the proposed studies.

Commissioning of the double Penning trap system MLLTRAP

Energy Technology Data Exchange (ETDEWEB)

Kolhinen, V.S. [Fakultaet fuer Physik, LMU Muenchen and Maier-Leibnitz Laboratory, Am Coulombwall 1, 85748 Garching (Germany)], E-mail: veli.kolhinen@physik.uni-muenchen.de; Bussmann, M. [Fakultaet fuer Physik, LMU Muenchen and Maier-Leibnitz Laboratory, Am Coulombwall 1, 85748 Garching (Germany); Forschungszentrum Dresden-Rossendorf, 01314 Dresden (Germany); Gartzke, E.; Habs, D.; Neumayr, J.B.; Schuermann, C.; Szerypo, J.; Thirolf, P.G. [Fakultaet fuer Physik, LMU Muenchen and Maier-Leibnitz Laboratory, Am Coulombwall 1, 85748 Garching (Germany)

2009-03-01

A cylindrical double Penning trap system has been installed and commissioned at the Maier-Leibnitz-Laboratory (MLL) in Garching. This trap system has been designed to isobarically purify low-energy ion beams and perform highly accurate mass measurements. Technical details of the device and the first results of the commissioning measurements will be presented. The mass resolving power achieved in the first trap for {sup 85}Rb ions is R=139(2)x10{sup 3}, while a relative mass uncertainty of {delta}m/m=2.9x10{sup -8} was reached with the second trap (no analysis of systematic uncertainties included) when using {sup 87}Rb as a reference ion for {sup 85}Rb.

Scalable quantum search using trapped ions

International Nuclear Information System (INIS)

Ivanov, S. S.; Ivanov, P. A.; Linington, I. E.; Vitanov, N. V.

2010-01-01

We propose a scalable implementation of Grover's quantum search algorithm in a trapped-ion quantum information processor. The system is initialized in an entangled Dicke state by using adiabatic techniques. The inversion-about-average and oracle operators take the form of single off-resonant laser pulses. This is made possible by utilizing the physical symmetries of the trapped-ion linear crystal. The physical realization of the algorithm represents a dramatic simplification: each logical iteration (oracle and inversion about average) requires only two physical interaction steps, in contrast to the large number of concatenated gates required by previous approaches. This not only facilitates the implementation but also increases the overall fidelity of the algorithm.

Chromatography mass spectrometry and its use in identification in the radiolysis products of polycyclic aromatic hydrocarbons and organic compounds

International Nuclear Information System (INIS)

Ibadov, N.A.; Suleymanov, B.A.

2010-01-01

Full text : Increased attention to the environment is the result of dramatically increased human activity, which in turn is caused by the rapid growth of population of the planet. Extremely powerful tool for control of pollution of different environmental objects - Chromatographic methods to analyze complex mixtures of components. This work is devoted to methods of gas chromatography - mass - spectroscopy and its use in identifying the pollutants of natural environments. Devices that allow obtaining the mass spectra are called mass spectrometers. Sensitivity of gas chromatography-mass spectrometry (typically 10-6-10-9 g) determined by the sensitivity of the mass spectrometer detector. Its essence lies in the fact that the recording of chromatograms is not the full ion current and the most characteristic ions of the substance. With varying degrees of probability in the water identified over 100 individual organic compounds, including PHs. The method of gas chromatography-mass spectrometry identified compounds in natural waters, soils, soil and sediments.

Comparative study of radio gas-chromatography and gas chromatography - mass spectrometry coupling in the identification of metabolites of estrogens and progesterone

International Nuclear Information System (INIS)

Adessi, G.; Nhuan, T.Q.; Jayle, M.F.

1978-01-01

Radio-gas chromatography (RGC) and gas chromatography-mass spectrometry (GC-MS) were used to identify estrogen and progesterone metabolites. The RGC enables the identification of metabolites of labelled precursors ( 3 H)-estradiol-17β and ( 14 C)-progesterone were used as precursors. The GC-MS analytical technique with mass fragmentography, offers the interest of using unlabelled precursors at physiological levels. The identification of metabolites was based on obtaining the mass spectrum or the compiled fragmentogram on the basis of the most characteristic fragment ions. More over, several metabolites can be quantified on the same fragmentogram. Results on the metabolism of estradiol-17β and progesterone by the hepatic tissue of guinea pigs are given. (Auth.)

Gas-phase ion-molecule reactions and high-pressure mass spectrometer, 1

International Nuclear Information System (INIS)

Hiraoka, Kenzo

1977-01-01

The reasons for the fact that the research in gas-phase ion-molecule reactions, to which wide interest is shown, have greatly contributed to the physical and chemical fields are that, first it is essential in understanding general phenomena concerning ions, second, it can furnish many unique informations in the dynamics of chemical reactions, and third, usefulness of '' chemical ionization'' methods has been established as its application to chemical analysis. In this review, the history and trend of studies and equipments in gas-phase ion-molecule reactions are surveyed. The survey includes the chemical ionization mass spectrometer for simultaneously measuring the positive and negative ions utilizing a quadrupole mass spectrometer presented by Hunt and others, flowing afterglow method derived from the flowing method which traces neutral chemical species mainly optically, ion cyclotron resonance mass spectrometer, trapped ion mass spectrometer and others. Number of reports referred to ion-molecule reactions issued during the last one year well exceeds the total number of reports concerning mass spectrometers presented before 1955. This truly shows how active the research and development are in this field. (Wakatsuki, Y.)

Ion Chromatographic Analyses of Sea Waters, Brines and Related Samples

Directory of Open Access Journals (Sweden)

Nataša Gros

2013-06-01

Full Text Available This review focuses on the ion chromatographic methods for the analyses of natural waters with high ionic strength. At the beginning a natural diversity in ionic composition of waters is highlighted and terminology clarified. In continuation a brief overview of other review articles of potential interest is given. A review of ion chromatographic methods is organized in four sections. The first section comprises articles focused on the determination of ionic composition of water samples as completely as possible. The sections—Selected Anions, Selected Cations and Metals—follow. The most essential experimental conditions used in different methods are summarized in tables for a rapid comparison. Techniques encountered in the reviewed articles comprise: direct determinations of ions in untreated samples with ion- or ion-exclusion chromatography, or electrostatic ion chromatography; matrix elimination with column-switching; pre-concentration with a chelation ion chromatography and purge-and-trap pre-concentration. Different detection methods were used: non-suppressed conductometric or suppressed conductometric, direct spectrometric or spectrometric after a post-column derivetization, and inductively coupled plasma in combination with optical emission or mass spectrometry.

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.

Determination of antimony compounds in waters and juices using ion chromatography-inductively coupled plasma mass spectrometry.

Science.gov (United States)

Lin, Ya-An; Jiang, Shiuh-Jen; Sahayam, A C

2017-09-01

A method was developed by coupling ion chromatography (IC) and inductively coupled plasma mass spectrometry (ICP-MS) for the speciation of antimony. In this study, antimony species such as antimonite [Sb(III)], antimonate [Sb(V)] and trimethyl antimony(V) (TMeSb) were separated in less than 8min using anion exchange chromatography with a Hamilton PRP-X100 column as the stationary phase. Mobile phase A was 20mmolL -1 ethylenediaminetetraacetic acid (EDTA), 2mmolL -1 potassium hydrogen phthalate (KHP) in 1% v/v methanol (pH 5.5) and 20mmolL -1 EDTA, 2mmolL -1 KHP, 40mmolL -1 (NH 4 ) 2 CO 3 in 1% v/v methanol (pH 9.0) formed mobile phase B. Detection limits and relative standard deviations (RSD) were 0.012-0.032ngmL -1 and 2.2-2.8% respectively. This method was applied to bottled waters and fruit juices purchased in Kaohsiung, Taiwan. In water samples, Sb(V) was the major species where as in juices organometallic Sb species were also present. Copyright © 2017 Elsevier Ltd. All rights reserved.

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-01-01

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

Determination of short chain carboxylic acids in vegetable oils and fats using ion exclusion chromatography electrospray ionization mass spectrometry.

Science.gov (United States)

Viidanoja, Jyrki

2015-02-27

A new method for quantification of short chain C1-C6 carboxylic acids in vegetable oils and fats by employing Liquid Chromatography Mass Spectrometry (LC-MS) has been developed. The method requires minor sample preparation and applies non-conventional Electrospray Ionization (ESI) liquid phase chemistry. Samples are first dissolved in chloroform and then extracted using water that has been spiked with stable isotope labeled internal standards that are used for signal normalization and absolute quantification of selected acids. The analytes are separated using Ion Exclusion Chromatography (IEC) and detected with Electrospray Ionization Mass Spectrometry (ESI-MS) as deprotonated molecules. Prior to ionization the eluent that contains hydrochloric acid is modified post-column to ensure good ionization efficiency of the analytes. The averaged within run precision and between run precision were generally lower than 8%. The accuracy was between 85 and 115% for most of the analytes. The Lower Limit of Quantification (LLOQ) ranged from 0.006 to 7mg/kg. It is shown that this method offers good selectivity in cases where UV detection fails to produce reliable results. Copyright © 2015 Elsevier B.V. All rights reserved.

A Configurable Surface-Electrode Ion Trap Design for Quantum Information Processing

International Nuclear Information System (INIS)

Liu Wei; Chen Shu-Ming; Chen Ping-Xing; Wu Wei

2013-01-01

We propose a configurable surface-electrode ion trap design to alleviate the poor reusability of the existing traps. It can architecturally and electrically support 5 mainstream modes by design reuse, thus enhancing the trap reusability and reducing the experiment setup overhead. We also develop a corresponding simulation suite which can optimize trap geometries and calculate trap parameters to control the trapped ion's classic motion. According to our analytical and simulated results, the configurable design can serve as a unified platform for basic research of large-scale quantum information processing

High-throughput screening and quantitation of guanidino and ureido compounds using liquid chromatography-drift tube ion mobility spectrometry-mass spectrometry.

Science.gov (United States)

Fan, Ruo-Jing; Zhang, Fang; Chen, Xiu-Ping; Qi, Wan-Shu; Guan, Qing; Sun, Tuan-Qi; Guo, Yin-Long

2017-04-08

The present work focused on the high-throughput screening and quantitation of guanidino compounds (GCs) and ureido compounds (UCs) in human thyroid tissues. The strategy employed benzylic rearrangement stable isotope labeling (BRSIL) for the sample preparation and then detection using liquid chromatography-drift tube ion mobility spectrometry-quadrupole time of flight mass spectrometry (LC-DTIMS-QTOF MS). A short reversed-phase LC realized an on-line desalting and a measurement cycle of 5.0 min. DTIMS separation enhanced the better specificity and selectivity for the benzil labeled GCs and UCs. The elevated mass resolution of QTOF MS enabled measure of the characteristic ions at accurate mass in MS and tandem MS spectra. Collision cross section (CCS) from DTIMS and accurate mass from QTOF MS were used as two qualifiers for the profiling and identification of GCs and UCs. In addition, an integral abundance arising from 3-D ion features (retention time, drift time, m/z) was applied to quantify the GCs and UCs in human thyroid tissues. The quantitative validation indicated good linearity (coefficient values ≥ 0.9981), good precision (1.0%-12.3% for intra-day and 0.9%-7.8% for inter-day) and good accuracy (91%-109%). The results demonstrated that the developed BRSIL coupled with LC-DTIMS-QTOF MS can be a powerful analysis platform to investigate GCs and UCs in human thyroid tissues. Copyright © 2017 Elsevier B.V. All rights reserved.

Cold highly charged ions in a cryogenic Paul trap

Energy Technology Data Exchange (ETDEWEB)

Versolato, O. O., E-mail: oscar.versolato@mpi-hd.mpg.de; Schwarz, M.; Windberger, A.; Ullrich, J. [Max-Planck-Institut fuer Kernphysik (Germany); Schmidt, P. O. [Physikalisch-Technische Bundesanstalt (Germany); Drewsen, M. [University of Aarhus, Department of Physics and Astronomy (Denmark); Crespo Lopez-Urrutia, J. R. [Max-Planck-Institut fuer Kernphysik (Germany)

2013-03-15

Narrow optical transitions in highly charged ions (HCIs) are of particular interest for metrology and fundamental physics, exploiting the high sensitivity of HCIs to new physics. The highest sensitivity for a changing fine structure constant ever predicted for a stable atomic system is found in Ir{sup 17 + }. However, laser spectroscopy of HCIs is hindered by the large ({approx} 10{sup 6} K) temperatures at which they are produced and trapped. An unprecedented improvement in such laser spectroscopy can be obtained when HCIs are cooled down to the mK range in a linear Paul trap. We have developed a cryogenic linear Paul trap in which HCIs will be sympathetically cooled by {sup 9}Be{sup + } ions. Optimized optical access for laser light is provided while maintaining excellent UHV conditions. The Paul trap will be connected to an electron beam ion trap (EBIT) which is able to produce a wide range of HCIs. This EBIT will also provide the first experimental input needed for the determination of the transition energies in Ir{sup 17 + }, enabling further laser-spectroscopic investigations of this promising HCI.

Bioconversion of red ginseng saponins in the gastro-intestinal tract in vitro model studied by high-performance liquid chromatography-high resolution Fourier transform ion cyclotron resonance mass spectrometry

NARCIS (Netherlands)

Kong, H.; Wang, M.; Venema, K.; Maathuis, A.; Heijden, R. van der; Greef, J. van der; Xu, G.; Hankemeier, T.

2009-01-01

A high-performance liquid chromatography-high resolution Fourier transform ion cyclotron resonance mass spectrometry (HPLC-FTICR-MS) method was developed to investigate the metabolism of ginsenosides in in vitro models of the gastro-intestinal tract. The metabolites were identified by

Characterization of primaquine imidazolidin-4-ones with antimalarial activity by electrospray ionization-ion trap mass spectrometry

Science.gov (United States)

Vale, Nuno; Moreira, Rui; Gomes, Paula

2008-02-01

The extensive characterization by electrospray ionization-ion trap mass spectrometry (ESI-MSn) of 20 imidazolidin-4-ones derived from the antimalarial primaquine was well obtained. These compounds are being under investigation as potential antimalarials, as they have been previously found to be active against rodent P. berghei malaria and to be highly stable under physiological conditions. Experiments by collision-induced dissociation (CID) in the nozzle-skimmer region or by tandem-MS have shown the title compounds to be remarkably stable. Mechanisms are proposed to explain the major fragmentations observed in ESI-MSn experiments. Overall, this work represents an unprecedented contribution to a deeper insight into imidazolidin-4-one antimalarials based on a classic 8-aminoquinolinic scaffold. Data herein reported and discussed may be an useful guide for future studies on therapeutically relevant molecules possessing either the 8-aminoquinoline or the imidazolidin-4-one motifs.

Liquid chromatography tandem mass spectrometry determination of chemical markers and principal component analysis of Vitex agnus-castus L. fruits (Verbenaceae) and derived food supplements.

Science.gov (United States)

Mari, Angela; Montoro, Paola; Pizza, Cosimo; Piacente, Sonia

2012-11-01

A validated analytical method for the quantitative determination of seven chemical markers occurring in a hydroalcoholic extract of Vitex agnus-castus fruits by liquid chromatography electrospray triple quadrupole tandem mass spectrometry (LC/ESI/(QqQ)MSMS) is reported. To carry out a comparative study, five commercial food supplements corresponding to hydroalcoholic extracts of V. agnus-castus fruits were analysed under the same chromatographic conditions of the crude extract. Principal component analysis (PCA), based only on the variation of the amount of the seven chemical markers, was applied in order to find similarities between the hydroalcoholic extract and the food supplements. A second PCA analysis was carried out considering the whole spectroscopic data deriving from liquid chromatography electrospray linear ion trap mass spectrometry (LC/ESI/(LIT)MS) analysis. High similarity between the two PCA was observed, showing the possibility to select one of these two approaches for future applications in the field of comparative analysis of food supplements and quality control procedures. Copyright © 2012 Elsevier B.V. All rights reserved.

Developing a Vacuum Electrospray Source To Implement Efficient Atmospheric Sampling for Miniature Ion Trap Mass Spectrometer.

Science.gov (United States)

Yu, Quan; Zhang, Qian; Lu, Xinqiong; Qian, Xiang; Ni, Kai; Wang, Xiaohao

2017-12-05

The performance of a miniature mass spectrometer in atmospheric analysis is closely related to the design of its sampling system. In this study, a simplified vacuum electrospray ionization (VESI) source was developed based on a combination of several techniques, including the discontinuous atmospheric pressure interface, direct capillary sampling, and pneumatic-assisted electrospray. Pulsed air was used as a vital factor to facilitate the operation of electrospray ionization in the vacuum chamber. This VESI device can be used as an efficient atmospheric sampling interface when coupled with a miniature rectilinear ion trap (RIT) mass spectrometer. The developed VESI-RIT instrument enables regular ESI analysis of liquid, and its qualitative and quantitative capabilities have been characterized by using various solution samples. A limit of detection of 8 ppb could be attained for arginine in a methanol solution. In addition, extractive electrospray ionization of organic compounds can be implemented by using the same VESI device, as long as the gas analytes are injected with the pulsed auxiliary air. This methodology can extend the use of the proposed VESI technique to rapid and online analysis of gaseous and volatile samples.

Confinement in a cryogenic Penning trap of highest charge state ions from EBIT

International Nuclear Information System (INIS)

Schneider, D.

1994-01-01

The retrapping of highly charged Xe 44+ and Th 68+,72+ ions extracted from an open-quotes Electron Beam Ion Trapclose quotes (EBIT) is demonstrated after injection of the ions into RETRAP, a cryogenic Penning trap (up to 6 Tesla magnetic field) currently with an open cylinder design. Ion extraction in a short pulse (5-20 μsec) from EBIT, essential for efficient retrapping, is employed. The ions are slowed down upon entering a deceleration tube mounted above the trap within the magnetic field. The potential is then rapidly (100 ns) decreased, enabling low energy ions to enter the trap. Capture efficiencies up to 25% are observed via detection of the delayed ion release pulse with a detector below the trap. Signal voltages induced in a tuned circuit due to single and multiple ions have been observed by tuning the ion resonant axial oscillation frequencies for different ions. Results from transporting and retrapping of the ions, as well as their detection, are described and the trapping efficiency is discussed, The motivation for these studies is to cool the trapped very highly charged ions to low temperatures (< 4 K) in order to perform ultrahigh resolution precision spectroscopy, collision studies at ultra low energies and to observe phase transitions in Coulomb clusters of highly charged ions

Experiments with trapped ions and ultrafast laser pulses

Science.gov (United States)

Johnson, Kale Gifford

Since the dawn of quantum information science, laser-cooled trapped atomic ions have been one of the most compelling systems for the physical realization of a quantum computer. By applying qubit state dependent forces to the ions, their collective motional modes can be used as a bus to realize entangling quantum gates. Ultrafast state-dependent kicks [1] can provide a universal set of quantum logic operations, in conjunction with ultrafast single qubit rotations [2], which uses only ultrafast laser pulses. This may present a clearer route to scaling a trapped ion processor [3]. In addition to the role that spin-dependent kicks (SDKs) play in quantum computation, their utility in fundamental quantum mechanics research is also apparent. In this thesis, we present a set of experiments which demonstrate some of the principle properties of SDKs including ion motion independence (we demonstrate single ion thermometry from the ground state to near room temperature and the largest Schrodinger cat state ever created in an oscillator), high speed operations (compared with conventional atom-laser interactions), and multi-qubit entanglement operations with speed that is not fundamentally limited by the trap oscillation frequency. We also present a method to provide higher stability in the radial mode ion oscillation frequencies of a linear radiofrequency (rf) Paul trap-a crucial factor when performing operations on the rf-sensitive modes. Finally, we present the highest atomic position sensitivity measurement of an isolated atom to date of 0.5 nm Hz. (-1/2) with a minimum uncertaintyof 1.7 nm using a 0.6 numerical aperature (NA) lens system, along with a method to correct aberrations and a direct position measurement of ion micromotion (the inherent oscillations of an ion trapped in an oscillating rf field). This development could be used to directly image atom motion in the quantum regime, along with sensing forces at the yoctonewton [10. (-24) N)] scale forgravity sensing

Cryogenic setup for trapped ion quantum computing.

Science.gov (United States)

Brandl, M F; van Mourik, M W; Postler, L; Nolf, A; Lakhmanskiy, K; Paiva, R R; Möller, S; Daniilidis, N; Häffner, H; Kaushal, V; Ruster, T; Warschburger, C; Kaufmann, H; Poschinger, U G; Schmidt-Kaler, F; Schindler, P; Monz, T; Blatt, R

2016-11-01

We report on the design of a cryogenic setup for trapped ion quantum computing containing a segmented surface electrode trap. The heat shield of our cryostat is designed to attenuate alternating magnetic field noise, resulting in 120 dB reduction of 50 Hz noise along the magnetic field axis. We combine this efficient magnetic shielding with high optical access required for single ion addressing as well as for efficient state detection by placing two lenses each with numerical aperture 0.23 inside the inner heat shield. The cryostat design incorporates vibration isolation to avoid decoherence of optical qubits due to the motion of the cryostat. We measure vibrations of the cryostat of less than ±20 nm over 2 s. In addition to the cryogenic apparatus, we describe the setup required for an operation with 40 Ca + and 88 Sr + ions. The instability of the laser manipulating the optical qubits in 40 Ca + is characterized by yielding a minimum of its Allan deviation of 2.4 ⋅ 10 -15 at 0.33 s. To evaluate the performance of the apparatus, we trapped 40 Ca + ions, obtaining a heating rate of 2.14(16) phonons/s and a Gaussian decay of the Ramsey contrast with a 1/e-time of 18.2(8) ms.

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

Characterization of Proanthocyanidins from Parkia biglobosa (Jacq. G. Don. (Fabaceae by Flow Injection Analysis — Electrospray Ionization Ion Trap Tandem Mass Spectrometry and Liquid Chromatography/Electrospray Ionization Mass Spectrometry

Directory of Open Access Journals (Sweden)

Wagner Vilegas

2013-03-01

Full Text Available The present study investigates the chemical composition of the African plant Parkia biglobosa (Fabaceae roots and barks by Liquid Chromatography - Electrospray Ionization and Direct Injection Tandem Mass Spectrometry analysis. Mass spectral data indicated that B-type oligomers are present, namely procyanidins and prodelphinidins, with their gallate and glucuronide derivatives, some of them in different isomeric forms. The analysis evidenced the presence of up to 40 proanthocyanidins, some of which are reported for the first time. In this study, the antiradical activity of extracts of roots and barks from Parkia biglobosa was evaluated using DPPH method and they showed satisfactory activities.

Penning-trap mass measurements of the neutron-rich K and Ca isotopes: Resurgence of the N=28 shell strength

Science.gov (United States)

Lapierre, A.; Brodeur, M.; Brunner, T.; Ettenauer, S.; Finlay, P.; Gallant, A. T.; Simon, V. V.; Delheij, P.; Lunney, D.; Ringle, R.; Savajols, H.; Dilling, J.

2012-02-01

We present Penning-trap mass measurements of neutron-rich 44,47-50K and 49,50Ca isotopes carried out at the TITAN facility at TRIUMF-ISAC. The 44K mass measurement was performed with a charge-bred 4+ ion utilizing the TITAN electron beam ion trap and agrees with the literature. The mass excesses obtained for 47K and 49,50Ca are more precise and agree with the values published in the 2003 Atomic Mass Evaluation (AME’03). The 48,49,50K mass excesses are more precise than the AME’03 values by more than 1 order of magnitude. For 48,49K, we find deviations of 7σ and 10σ, respectively. The new 49K mass excess lowers significantly the two-neutron separation energy at the neutron number N=30 compared with the separation energy calculated from the AME’03 mass-excess values and thus increases the N=28 neutron-shell gap energy at Z=19 by approximately 1 MeV.

Single-run determination of polybrominated diphenyl ethers (PBDEs) di- to deca-brominated in fish meal, fish oil and fish feed by isotope dilution: Application of automated sample purification and gas chromatography/ion trap tandem mass spectrometry (GC/ITMS)

International Nuclear Information System (INIS)

Blanco, Sonia Lucia; Vieites, Juan M.

2010-01-01

The present paper describes the application of automated cleanup and fractionation procedures of the Power Prep system (Fluid Management Systems) for the determination of polybrominated diphenyl ethers (PBDEs) in feeding stuffs and fish meal and oil. Gas chromatography (GC) separation followed by ion trap tandem mass spectrometry detection in EI mode (ITMS) allowed the analysis of di- to deca-BDEs in the samples matrices used in fish aquaculture. The method developed enabled the determination of 26 native PBDE congeners and 11 13 C 12 -labelled congeners, including deca-BDE 209, in a single-run analysis, using isotope dilution. The automated cleanup, consisting of a succession of multilayer silica and basic alumina columns previously applied by Wyrzykowska et al. (2009) in combustion flue gas, was succesfully applied in our complex matrices. The method allowed an increase in productivity, i.e. lower time was required to process samples, and simultaneous purification of several samples was achieved at a time, reducing analyst dedication and human error input. Average recoveries of 43-96% were obtained. GC/ITMS can overcome the complexity originating from the sample matrix, eliminating matrix effects by tandem MS, to enable the detection of congeners penta- to nona-BDEs where interferent masses were present. The provisional detection limits, estimated in the samples, were 5-30 pg for di-, tri-, tetra-, and penta-BDEs, 20-65 pg for hexa-, hepta-, octa- and nona-BDEs, and 105 pg for deca-BDE. Reduction of deca-BDE 209 blank values is of concern to ongoing research. Good accuracy was obtained by application of the whole procedure, representing an efficient, low-cost and fast alternative for routine analyses.