Ion Trap Mass Spectrometer Research Articles

Simultaneous determination of 10 first-generation histamine h1 receptor blockers in feeds by ultra-high-performance liquid chromatography triple quadrupole ion trap hybrid mass spectrometer.

A method for simultaneous determination of 10 first-generation histamine H1 receptor blockers in feeds by ultra-high-performance liquid chromatography triple quadrupole mass spectrometry combined with solid phase extraction. Instrument conditions, extraction solvents, and purification methods have been optimized. Under the optimum conditions, these analytes were separated effectively at 6min. These feeds have been extracted by acid acetonitrile and purified by mixed cation exchange solid-phase extraction. The performance of this method meets the requirements of veterinary residue detection in feeds in China. It is appropriate for the confirmatory monitoring and quantitative analysis of 105 feed samples, five kinds of histamine H1 receptor blockers have been detected in 10 samples.

Effect of protonation on the UV/VUV photostability of cyano-substituted anthracene and phenanthrene

Context. The vacuum ultraviolet (VUV) photoprocessing of polycyclic aromatic hydrocarbons (PAHs) has been established as a key piece of the puzzle to understand the life cycle of carbon-based molecules in space. The recent detection of cyano (CN) aromatic species, with unexpectedly high abundance, motivated the current study of investigating their interaction with UV/VUV radiation. Aims. The aims were to investigate the fate, after VUV photoexcitatation, of medium-size (three rings) CN-PAH radical cations and of their protonated analogs, and thus to assess the effect of protonation on the photostability of the CN-PAHs. Photoproducts (ionic fragments and dications) were mass-analyzed and measured as a function of photon energy. The results were also compared with those for the bare anthracene radical cation to assess the influence of the added CN group. Methods. The positively charged CN-PAHs were stored in a quadrupole ion trap prior to interrogation by UV/VUV radiation, with photon energies between 4.5 and 13.6 eV, delivered by the DESIRS beamline from the synchrotron SOLEIL. Results. The HCN/HNC loss channel is present for both radical cations and protonated species, but H2 loss is only apparent for the radical cations. Based on comparison with quantum chemical calculations, radiative and/or collisional processes should be relevant at energies lower than 8 eV, with a stronger propensity for radical cation than protonated CN-PAHs. The cata-condensed 9-CN-anthracene has a nearly two-fold larger photoionization yield at 13.6 eV than peri-condensed 9-CN-phenanthrene. Conclusions. The photoionization yield of singly and doubly ionized CN-PAHs is greater for radical cations than for protonated analogs. The photoionization yields of CN-PAHs is diminished by protonation and, in the future, similar investigations should target larger protonated CN-PAHs to support a general model for the photo-processing of these relevant molecular systems. Similar processes to those for the bare PAH radical cations may involve the radical cations of CN-PAHs, making their addition important in models that describe the photoelectric heating of interstellar gas.

Dynamics Inside a Dual-Frequency Paul Trap in the Presence of Excess Micromotion

Dynamics inside a dual-frequency Paul trap is theoretically analyzed in the presence of excess micromotion on account of stray electric field and the field due to a mismatch of potential at the electrodes. The fields contributing to the excess micromotion have a strong influence on the kinetic energy of a single-charged particle, however, their influence is not profound when the collective dynamics of many charged particles is considered inside the trap. The collective dynamics is encapsulated by a distribution function whose time average is double-humped with respect to the velocity. The spatial variation of energyis asymmetrical. The temporal fluctuations of the energy are periodic with a period of variation depending upon the ratio of the two applied RF frequencies.

Sympathetic cooling and squeezing of two colevitated nanoparticles

Levitated particles are an ideal tool for measuring weak forces and investigating quantum mechanics in macroscopic objects. Arrays of two or more of these particles have been suggested for improving force sensitivity and entangling macroscopic objects. In this article, two charged, silica nanoparticles, that are coupled through their mutual Coulomb repulsion, are trapped in a Paul trap, and the individual masses and charges of both particles are characterized. We demonstrate sympathetic cooling of one nanoparticle coupled via the Coulomb interaction to the second nanoparticle to which feedback cooling is directly applied. We also implement sympathetic squeezing through a similar process showing nonthermal motional states can be transferred by the Coulomb interaction. This work establishes protocols to cool and manipulate arrays of nanoparticles for sensing and minimizing the effect of optical heating in future experiments.

Integrating a fiber cavity into a wheel trap for strong ion–cavity coupling

We present an ion trap with an integrated fiber cavity, designed for strong coupling at the level of single ions and photons. The cavity is aligned to the axis of a miniature linear Paul trap, enabling simultaneous coupling of multiple ions to the cavity field. We simulate how charges on the fiber mirrors affect the trap potential, and we test these predictions with an ion trapped in the cavity. Furthermore, we measure micromotion and heating rates in the setup.

SWIFTSIN: A High-Resolution Ion Isolation Waveform for the Miniaturized Linear Ion Trap Mass Spectrometer by Coarse to Fine Excitation

To figure out the reason for the drawback of the stored waveform inverse Fourier transform (SWIFT) waveform and realize the high-resolution ion isolation on the miniaturized linear ion trap mass spectrometer, we studied the efficiency that ions can be excited under different excitation durations and amplitudes at different frequencies and compared the overlap ratios of the effective excitation frequency bandwidths of the adjacent ions. According to this, we proposed a new coarse-to-fine isolation waveform named SWIFTSIN. By superposing one or more sinusoidal waveforms on the SWIFT waveform and modulating the phases of the superposed sinusoidal waveforms, the generated SWIFTSIN waveform can achieve unit mass isolation on the miniaturized linear ion trap mass spectrometer without reducing the intensity of the target ion. The isolation ability of the SWIFTSIN waveform was verified by isolating a single isotope peak in the mixed samples.

Optimization of solid phase microextraction conditions for determination of triazines

A simple, solvent-free, and field-compatible approach to sample preparation is provided by the basic process known as solid-phase micro extraction (SPME). The aim of this study was to improve the circumstances under which triazines were extracted from aqueous matrices. The complex technique enabled the detection of the analytes in the water at a physiological level. An evaluation of the practicability of the most commercially available fiber coatings has been conducted. The porous materials (Carbowax/DVB and PDMS/DVB) extracted more efficiently than homogeneous ones (PDMS and polyacrylate). Further investigation has been focused on 65 mm PDMS/DVB fiber. Solid phase microextraction is a technique based on the partition equilibrium of analytes between the sample and the fiber. Therefore, 60 minutes were required to reach equilibrium at room temperature. The desorption efficiency at 3 temperature levels had been compared and 270 °C was retained. Experiments were performed with a Finnigan MAT GCQ Model installed with a 30-m x 0.32-mm ID, ZB-5 (0.25-mm film thickness) fused-silica capillary column, and Helium as a carrier gas (at 30 kPa), The ion trap mass spectrometer was operated in the electron ionization (EI) mode. Keywords: Fiber coating, Gaz chromatography, Mass spectrometry, Pesticides, Water matrices, Analysis.

On the performance of the M-C (M = Fe, Ru, Os) unit toward methane activation.

Gas-phase reactions of [MC]+ (M = Os and Ru) with methane at ambient temperature have been studied by using quadrupole-ion trap (Q-IT) mass spectrometry combined with quantum chemical calculations. Theoretical calculations reveal the influence of electronic signatures and that it is the energy gap of the associated frontier molecular orbitals that dominates the ability of the cluster in the initial H3C-H bond breaking. By extension, a theoretical consideration upon changing the ligand from carbide to carbyne and eventually to carbene reveals that the reactivities of the M-complex (M = Os, Ru and Fe) are determined by the energy gap of the involved orbitals. In addition, a few factors like the dipole moment, spin density and charge distributions influence the orbital energy gap to different extents. Thus, altering the local structure of the active center to modulate the orbital distribution may be a possible means of regulation of the activity.

Simulating quasi-integrable optics with space charge in the IBEX Paul trap

The intensity frontier has called for new initiatives in hadron accelerator design in order to accommodate space charge dominated beams. Octupoles are often used to damp beam instabilities caused by space charge, however the insertion of octupole magnets leads to a nonintegrable lattice which reduces the area of stable particle motion. One proposed solution is Quasi-Integrable optics (QIO), where the octupoles are inserted between sections of a specific lattice insertion called a T-insert. An octupole with a strength that scales as 1/β 3(s) is applied in the drift region, where the horizontal and vertical beta functions are equal, to create a time independent octupole field. This leads to a lattice with a time-independent Hamiltonian which is robust to small perturbations. IBEX is a Paul trap which allows the transverse dynamics of a collection of trapped particles to be studied, mimicking the propagation through multiple quadrupole lattice periods, whilst remaining stationary in the laboratory frame. In order to test QIO at the IBEX experiment, it has recently undergone an upgrade to allow for the creation of octupole fields. We present our design of the IBEX experiment upgrade along with simulation results of our proposed experiment to test QIO with space charge.

Synthesis and Characterization of Molecularly Imprinted Polymers for the Determination of Cocaine in Urine Using Microextraction in Packed Sorvent

Among stimulant drugs, cocaine deserves attention due to its high rates of seizures worldwide. This work presents the synthesis and characterization of hybrid molecularly imprinted polymers (MIPs) for use in preparing biological samples using a homemade microextraction in a packed sorbent device to extract cocaine. The MIPs synthesized using caffeine and cocaine as templates have been compared. Caffeine was used due to its low value and be easier to obtain than cocaine. Additionally, restricted access molecularly imprinted polymers (RAMIPs) were also produced for comparison purposes. The polymeric materials were characterized using scanning electron microscopy, textural analysis, Fourier transform infrared spectroscopy, and cross polarization/ magic angle spinning 13C nuclear magnetic resonance. The method optimization was performed using linear ion trap mass spectrometer to evaluate the effects of sample pH, type of eluent, washing solvent, adsorption cycles, and eluent volume. In the optimized method, RAMIPs indicated better cocaine extraction compared to MIPs. The quantitative study demonstrated that the developed method was able to accurately quantify cocaine in urine samples with values close to actual concentrations.

Design and Simulation of a Wire Quadrupole Ion Trap for Ion Trapping and Cooling

Design and Simulation of a Wire Quadrupole Ion Trap for Ion Trapping and Cooling

ОБ ОСОБЕННОСТЯХ ЛОКАЛИЗАЦИИ ИОНОВ В ЛИНЕЙНОЙ КВАДРУПОЛЬНОЙ ЛОВУШКЕС ЗАПИРАЮЩИМИ ЭЛЕКТРОДАМИ

In this paper we consider the features of ion trapping in a linear quadrupole Paul trap with circular end-cap electrodes. The quasi-periodic and chaotic regimes of the ion dynamics in the conservative case are shown. The conditions for the transition from the quasi-periodic to the chaotic regime are determined. We present a numerical simulation of the ion dynamics and describe the splitting of the localization region as a function of the ratio of the voltage components on the power and end-cap electrodes.

Coherent Transfer of Transverse Optical Momentum to the Motion of a Single Trapped Ion.

Using a structured light beam carrying orbital angular momentum, we demonstrate excitation of the center-of-mass motion of a single atom in the transverse direction to the beam's propagation. This interaction enables quantum control of atomic motion in all axes with a single beam direction, which leads to applications in quantum computing and simulations with ion crystals. Here we demonstrate all the key features required for these applications, namely, coherent dynamics and strong carrier suppression in a configuration with the ion centered in the beam, which allows for single ion addressing and also provides robustness against pointing instabilities. To quantify transverse momentum transfer, we observe coherent dynamics on the sidebands of the S_{1/2} to D_{5/2} transition near 729nm of a singly charged ^{40}Ca^{+} ion, cooled near the ground state of motion in the 3D harmonic potential of a Paul trap, and placed at the center of a first-order Laguerre-Gaussian beam. Exchange of quanta in the perpendicular direction to the beam's wave vector k is observed with a centered vortex shaped beam, together reduction of the parasitic carrier excitation by a factor of 40. This is in sharp contrast to the vanishing spin-motion coupling at the center of the Gaussian beam. Further, we characterize the coherent interaction by an effective transverse Lamb-Dicke factor η_{⊥}^{exp}=0.0062(5) which is in agreement with our theoretical prediction η_{⊥}^{theo}=0.0057(1).

Quantitative assessment and suppression of anharmonic potential of quadrupole linear radiofrequency ion traps with round electrodes

Precision manipulation of the quantum coherence of radiofrequency (RF) ion trap systems is one of the most important prerequisites for the development of high-performance ion frequency standards, high-fidelity ion trap quantum computing, and ion precision spectroscopy. The anharmonic potential of the ion trap exacerbates the non-ideal kinetic properties of the trapped ions and the simple harmonic motions of the heated ions, which in turn constrain the coherence time of the trapped ion systems. In this study, we developed a precision assessment and optimization method for the potential field of a quadrupole linear RF ion trap with round electrodes based on the joint weight suppression of the multi-order anharmonic potential, which is applicable for ion ensembles of cloud, liquid, and crystalline forms, and for different ion numbers. By quantifying the potential of each radial order of the decoupled transient RF potential, we established the quantitative loss relationship between the structure parameter of the linear RF ion trap with round electrodes and the trapping potential and outlined the influence of the structure parameter of the trap on the weight of the anharmonic potential. We determined the optimal structure parameter k (the ratio of pole radius re to radius r0 of the maximum trapping field) of the quadrupole linear ion trap with round electrodes as 1.1451447, which minimizes the overall anharmonic potential and achieves the highest reported accuracy (Reuben et al., 1996) [1]. This result provides a basis for the solution of problems in physics such as obtaining long-time trapping under low heating rate, precision manipulation of coherence, motion effect suppression, and efficient cooling of 3D ion systems, which are conducive to quantum coherence with time delays, spectral measurement approaching the theoretical accuracy limit, and high-performance frequency standards of 3D ion systems.

Synchronized Reverse Scan Collision Induced Dissociation in Digital Ion Trap Mass Spectrometer for Improving Fragment Ion Detection

Development of fragment ion detection methods is of great importance for mass spectrometer advancement or substance identification. To date, collision induced dissociation (CID) remains the most commonly used ion activation method in MS/MS experiments, and the effectiveness of CID in an ion trap mass spectrometer is limited by low mass cutoff and weak fragmentation yields. Theoretically, controlling the q value is the key to maintain the fragment efficiency and trapping efficiency of MS/MS, thus improving the detection of fragment ion, while currently reported techniques usually require complex circuitry and often produce different CID patterns. In this paper, with the developed synchronized reversed scanning-collision induced dissociation (SRS-CID) technique, we demonstrate its effective improvement in fragment ion detection. The SRS-CID is implemented on a digital ion trap mass spectrometer (DITMS) by reverse scanning the q values during CID process, or specifically, the frequency is increased during the CID process. With the SRS-CID technique, the fragmentation efficiency of precursor ions can be slightly improved. For reserpine analyte, the trapping efficiency for low-mass fragment ions is improved at least 3 times, and for YGGFL, the trapping efficiency for low-mass fragment ions is improved at least 9 times. These experimental results can also be validated by simulations, and the kinetic energy variation plot suggests consecutive fragmentation occurs. In any case, the SRS-CID provides a solution to the low efficiency of fragment ion detection during tandem MS analysis, which will certainly be useful in the future.

Validation of a quantitative liquid chromatography/hybrid quadrupole-linear ion trap MS/MS method for carfentanil and caffeine in a live human epidermis model.

Carfentanil, an opioid 10K times more potent than morphine, has no licit clinical use. A powerful CNS depressant, it has been identified increasingly as the cause of overdose death in the United States. Because it is highly lipophilic, the law enforcement and medical communities have been concerned that responding personnel could be percutaneously exposed and that exposure could be enhanced with the use of alcohol-containing hand sanitizers. An LC-MS/MS method was developed to evaluate solvent effects on percutaneous absorption of carfentanil in a live human epidermal model. In this study, a quantitative liquid chromatography/hybrid triple quadrupole-linear ion trap method was developed for carfentanil and for caffeine, a molecule routinely used to monitor epidermal cell culture viability. The method employed reverse-phase liquid chromatography coupled with positive electrospray ionization and multiple reaction monitoring (MRM) to quantify carfentanil and caffeine against calibration curves formulated from authentic standards. Limits of detection (LOD) for the two compounds were determined using 10:1 signal-to-noise requirements for all product ions with relative peak areas within ±20% of those observed for a mid-level calibrator. Precision and accuracy were determined by analyzing positive controls formulated in quintuplicate, by a different analyst, at three concentrations bracketing the method dynamic range. Inter-day precision was evaluated using data collected from three separate days of analyses. Calibration curves for seven formulated replicates of the two compounds met linearity requirements over at least four orders of magnitude concentration range. The accuracy of measured concentration results was within ±20% of the actual, precision across results (%CV) was ≤15%, curve coefficients of determination (r) were ≥0.980 (correlation coefficient r > 0.990), and relative ion ratios of all qualifier ions were within ±20% of those for a mid-level standard. Limits of quantification (LOQs) for carfentanil and caffeine were 230 pg/ml and 12 ng/ml, respectively. Intra-day accuracies (mean concentrations) for carfentanil and caffeine ranged from 90.1% to 100.8% and from 87.1% to 108.9%, respectively; inter-day accuracies ranged from 98.7% to 100.4% and from 97.5% to 101.7%, respectively. Intra-day precision (%CV) over the dynamic range ranged from 1.31 to 8.88 and from 1.49 to 6.72 for carfentanil and caffeine, respectively. Inter-day precision ranged from 4.7 to 9.9 %CV for carfentanil and 7.6-121 %CV for caffeine. The method was used to evaluate the percutaneous absorption kinetics of carfentanil in solution as a function of solvent composition using an in vitro, live human epidermis model. Counterintuitively, as previously reported, the addition of organic solvents to the formulations decreased rather than increased the percutaneous absorption rate of the ultra-potent opioid, carfentanil.

Diagnosis of renal amyloidosis by liquid chromatography-tandem mass spectrometry: experience from a single-center cohort study in China.

Diagnosis of renal amyloidosis by liquid chromatography-tandem mass spectrometry: experience from a single-center cohort study in China.

Hexapole-Assisted Continuous Atmospheric Pressure Interface for a High-Pressure Photoionization Miniature Ion Trap Mass Spectrometer.

Miniature mass spectrometers are powerful tools for on-site chemical analysis in the fields of homeland security, personal healthcare, and environmental monitoring. This study presents a novel hexapole-assisted continuous atmospheric pressure interface for a high-pressure photoionization miniature ion trap mass spectrometer (HA-HPPI-IT). Efficient ion transmission was achieved by combining radial focusing by an RF electric field and axial driving by gas flow, which was demonstrated by SIMION simulation and experimental verification. The pressure in the ionization-transmission chamber and the inner diameter of the skimmer were optimized, which helped in determining the number density of product ions and affected the ion transmission in the hexapole, respectively. After systematic optimizations, about 16-fold increase in signal intensity was achieved as the RF amplitude was varied from 140 to 400 Vpp, and a limit of detection of 1 ppbv was obtained. In addition, the HA-HPPI-IT exhibited high stability and the relative standard deviation was as low as 5.47%. Finally, the apparatus was applied for discovering the simulated spot for illicit drug synthesis by detecting toluene and propiophenone released to air and monitoring the evolutions of perchloroethylene residues from dry-cleaned clothes.

LC-MS-based metabolite profiling of aqueous extract of Pergularia tomentosa L. and its anti-hyperglycemic effect.

In this study, to find scientific evidence for the traditional use of Pergularia tomentosa as an anti-diabetic remedy, the effects of its aqueous extract on streptozotocin-induced diabetes mellitus in rats were evaluated. Wistar rats were fasted overnight and diabetes mellitus was induced using streptozotocin (50 mg/kg body weight). The rats were randomly and equally divided into four groups (n=5): group I (normoglycaemic control), group II (diabetic rats), group III (diabetic rats treated with 200 mg/kg BW of an aqueous extract of P. tomentosa), group IV (normoglycemic rats treated with 200 mg/kg BW of an aqueous extract of P. tomentosa). Chemical profiling of the aqueous extract was carried out using liquid chromatography coupled with electrospray ionization and multiple-stage linear ion-trap and orbitrap high-resolution mass spectrometry (LC-ESI/LTQOrbitrap/MS/MS). In addition, the quantitative determination of the main cardenolides in the extract was carried out by an analytical approach based on LC coupled to tandem mass spectrometry with ESI source and hybrid triple quadrupole-linear ion trap mass analyzer (LC-ESI/QTrap/MS/MS). Aqueous extract of P. tomentosa showed a reasonable reduction in blood glucose level. Probably, the P. tomentosa effect on hyperglycemic and hyperlipidemic diabetic animals was associated with antioxidant properties, triglyceride levels, as well as liver enzymes. Meanwhile, LC-ESI/LTQOrbitrap/MS/MS analysis led to identification of double-linked cardenolides along with cardenolides and flavone glycosides as the main bioactive compounds. The extract decreased the glucose level and induced a beneficial effect on the lipid profile, probably due to the presence of cardenolide glycosides.

Metabolomic and Lipidomic Profiling of Bacillus Using Two-Dimensional Tandem Mass Spectrometry.

Lipidomic and metabolomic profiles of sporulated and vegetative Bacillus subtilis and Bacillus thuringiensis from irradiated lysates were recorded using a quadrupole ion trap mass spectrometer modified to perform two-dimensional tandem mass spectrometry (2D MS/MS). The 2D MS/MS data domains, acquired using a 1.2 s scan of negative ions generated by nanoelectrospray ionization of microwave irradiated spores, showed the presence of dipicolinic acid (DPA) as well as various lipids. Aside from microwave radiation to extract DPA and lipids from spores, sample preparation was minimal. Characteristic lipid and metabolic profiles were observed using 107─108 cells of the two Bacillus species. Major features of the lipid profiles observed for the vegetative states included sets of phosphatidylglycerol (PG) lipids. Product ion spectra were extracted from the 2D MS/MS data, and they provided structural information on the fatty acid components of the PG lipids. The study demonstrates the flexibility, speed, and informative power of metabolomic and lipidomic fingerprinting for identifying the presence of spore-forming biological agents using 2D MS/MS as a rapid profiling screening method.