scholarly journals Exploring the Efficiency of UHPLC-Orbitrap MS for the Determination of 20 Pharmaceuticals and Acesulfame K in Hospital and Urban Wastewaters with the Aid of FPSE

Separations ◽  
2020 ◽  
Vol 7 (3) ◽  
pp. 46
Author(s):  
Maria Kalaboka ◽  
Christoforos Chrimatopoulos ◽  
Cristina Jiménez-Holgado ◽  
Vasiliki Boti ◽  
Vasilios Sakkas ◽  
...  
Keyword(s):  
Emerging Contaminants ◽  
Treatment Plant ◽  
Resolving Power ◽  
Elution Time ◽  
Sorptive Extraction ◽  
Mass Resolving Power ◽  
Ionization Mode ◽  
Orbitrap Analysis ◽  
Chromatographic Parameters ◽  
Orbitrap Ms

Aside from the classical residues of persistent organic pollutants (POPs), the occurrence of emerging contaminants (ECs) in the environment has become a subject of increasing concern due to their harmful impact on the aquatic environment. Wastewater treatment plant (WWTP) effluents are major sources of environmental pollution. Therefore, data concerning their existence is required. In this study, twenty compounds representative of different drug groups considered ECs and belonging to antibiotics, antipsychotics, anti-inflammatory drugs plus acesulfame K were selected to be accurately detected and quantified with UHPLC–LTQ-Orbitrap MS in hospital and urban WWTP effluents. Chromatographic parameters (column efficiency, mobile phase, etc.), as well as mass spectrometry conditions concerning ionization mode and Orbitrap analysis (ESI options, mass resolving power, AGC target, tube lens, injection time), were evaluated. Moreover, a novel fabric phase sorptive extraction (FPSE) method based on fiber glass coated with PEG300 was employed as sample preparation process. Experimental parameters affecting extraction and desorption steps such as sample pH, extraction time, ionic strength, elution time and solvent have been optimized. The optimized methodology was validated providing excellent linearity (R2 > 0.99), and low detection and quantification limits up to 3.1 and 9.3 ng/L, for carbamazepine, respectively. Relative recoveries ranged from 81.1% to 114.0%, while a medium matrix effect for most of the target compounds occurred. Applying the above analytical method in effluents of WWTPs from NW Greece, nine compounds were quantified with concentrations that varied from 55.4 to 728.4 ng/L.

Calculation of the Ion Optical Properties of Inhomogeneous Magnetic Sector Fields Part 3: Oblique Incidence and Exit at Curved Boundaries

1959 ◽  
Vol 14 (9) ◽  
pp. 822-827 ◽  
Author(s):  
H. A. Tasman ◽  
A. J. H. Boerboom ◽  
H. Wachsmuth
Keyword(s):  
Oblique Incidence ◽  
Normal Incidence ◽  
Second Order ◽  
Resolving Power ◽  
High Mass ◽  
Curved Boundaries ◽  
Magnetic Sector ◽  
Mass Resolving Power ◽  
Mass Dispersion ◽  
Fringing Fields

In previous papers 1.2we presented the radial second order imaging properties of inhomogeneous magnetic sector fields with normal incidence and exit at plane boundaries. These fields may provide very high mass resolving power and mass dispersion without increase in radius or decrease of slit widths. In the present paper the calculations are extended to include the effect of oblique incidence and exit at curved boundaries. The influence of the fringing fields on axial focusing when the boundaries are oblique, is accounted for. It is shown that the second order angular aberration may Le eliminated by appropriate curvature of the boundaries.

Numerical analysis of trajectories in a Cassinian ion trap of second order with trap door ion inlet

2021 ◽  
Vol 27 (1) ◽  
pp. 3-12
Author(s):  
Bjoern Raupers ◽  
Hana Medhat ◽  
Juergen Grotemeyer ◽  
Frank Gunzer
Keyword(s):  
Ion Trap ◽  
Ion Traps ◽  
Second Order ◽  
Resolving Power ◽  
Periodic Pattern ◽  
Ion Motion ◽  
Trap Door ◽  
Mass Resolving Power ◽  
Long Time ◽  
The Fourier Transform

Ion traps like the Orbitrap are well known mass analyzers with very high resolving power. This resolving power is achieved with help of ions orbiting around an inner electrode for long time, in general up to a few seconds, since the mass signal is obtained by calculating the Fourier Transform of the induced signal caused by the ion motion. A similar principle is applied in the Cassinian Ion Trap of second order, where the ions move in a periodic pattern in-between two inner electrodes. The Cassinian ion trap has the potential to offer mass resolving power comparable to the Orbitrap with advantages regarding the experimental implementation. In this paper we have investigated the details of the ion motion analyzing experimental data and the results of different numerical methods, with focus on increasing the resolving power by increasing the oscillation frequency for ions in a high field ion trap. In this context the influence of the trap door, a tunnel through which the ions are injected into the trap, on the ion velocity becomes especially important.

On the Field Evaporation Behavior of a Model Ni-Al-Cr Superalloy Studied by Picosecond Pulsed-Laser Atom-Probe Tomography

2008 ◽  
Vol 14 (6) ◽  
pp. 571-580 ◽  
Author(s):  
Yang Zhou ◽  
Christopher Booth-Morrison ◽  
David N. Seidman
Keyword(s):  
Atom Probe Tomography ◽  
Mass Spectra ◽  
Pulsed Laser ◽  
Picosecond Laser ◽  
Atom Probe ◽  
Resolving Power ◽  
Noise Levels ◽  
Thermally Activated ◽  
Mass Resolving Power

AbstractThe effects of varying the pulse energy of a picosecond laser used in the pulsed-laser atom-probe (PLAP) tomography of an as-quenched Ni-6.5 Al-9.5 Cr at.% alloy are assessed based on the quality of the mass spectra and the compositional accuracy of the technique. Compared to pulsed-voltage atom-probe tomography, PLAP tomography improves mass resolving power, decreases noise levels, and improves compositional accuracy. Experimental evidence suggests that Ni2+, Al2+, and Cr2+ ions are formed primarily by a thermally activated evaporation process, and not by post-ionization of the ions in the 1+ charge state. An analysis of the detected noise levels reveals that for properly chosen instrument parameters, there is no significant steady-state heating of the Ni-6.5 Al-9.5 Cr at.% tips during PLAP tomography.

Understanding of Capping Effects on the Tip Shape Evolution and on the Atom Probe Data of Bulk LaAlO3 Using Transmission Electron Microscopy

2017 ◽  
Vol 23 (2) ◽  
pp. 329-335 ◽  
Author(s):  
Chang-Min Kwak ◽  
Young-Tae Kim ◽  
Chan-Gyung Park ◽  
Jae-Bok Seol
Keyword(s):  
Electron Microscopy ◽  
Transmission Electron Microscopy ◽  
Atom Probe ◽  
Resolving Power ◽  
Shape Evolution ◽  
Oxide Materials ◽  
Field Evaporation ◽  
Laser Illumination ◽  
Transmission Electron ◽  
Mass Resolving Power

AbstractTwo challenges exist in laser-assisted atom probe tomography (APT). First, a drastic decline in mass-resolving power is caused, not only by laser-induced thermal effects on the APT tips of bulk oxide materials, but also the associated asymmetric evaporation behavior; second, the field evaporation mechanisms of bulk oxide tips under laser illumination are still unclear due to the complex relations between laser pulse and oxide materials. In this study, both phenomena were investigated by depositing Ni- and Co-capping layers onto the bulk LaAlO3 tips, and using stepwise APT analysis with transmission electron microscopy (TEM) observation of the tip shapes. By employing the metallic capping, the heating at the surface of the oxide tips during APT analysis became more symmetrical, thereby enabling a high mass-resolving power in the mass spectrum. In addition, the stepwise microscopy technique visualized tip shape evolution during APT analysis, thereby accounting for evaporation sequences at the tip surface. The combination of “capping” and “stepwise APT with TEM,” is applicable to any nonconductors; it provides a direct observation of tip shape evolution, allows determination of the field evaporation strength of oxides, and facilitates understanding of the effects of ultrafast laser illumination on an oxide tip.

scholarly journals An automated gas chromatography time-of-flight mass spectrometry instrument for the quantitative analysis of halocarbons in air

2016 ◽  
Vol 9 (1) ◽  
pp. 179-194 ◽  
Author(s):  
F. Obersteiner ◽  
H. Bönisch ◽  
A. Engel
Keyword(s):  
Mass Spectrometry ◽  
Gas Chromatography ◽  
Quantitative Analysis ◽  
Time Of Flight ◽  
Resolving Power ◽  
Accurate Mass ◽  
Mass Spectrometry Instrument ◽  
Flight Mass Spectrometry ◽  
Mass Resolving Power ◽  
Mass Information

Abstract. We present the characterization and application of a new gas chromatography time-of-flight mass spectrometry instrument (GC-TOFMS) for the quantitative analysis of halocarbons in air samples. The setup comprises three fundamental enhancements compared to our earlier work (Hoker et al., 2015): (1) full automation, (2) a mass resolving power R = m/Δm of the TOFMS (Tofwerk AG, Switzerland) increased up to 4000 and (3) a fully accessible data format of the mass spectrometric data. Automation in combination with the accessible data allowed an in-depth characterization of the instrument. Mass accuracy was found to be approximately 5 ppm in mean after automatic recalibration of the mass axis in each measurement. A TOFMS configuration giving R = 3500 was chosen to provide an R-to-sensitivity ratio suitable for our purpose. Calculated detection limits are as low as a few femtograms by means of the accurate mass information. The precision for substance quantification was 0.15 % at the best for an individual measurement and in general mainly determined by the signal-to-noise ratio of the chromatographic peak. Detector non-linearity was found to be insignificant up to a mixing ratio of roughly 150 ppt at 0.5 L sampled volume. At higher concentrations, non-linearities of a few percent were observed (precision level: 0.2 %) but could be attributed to a potential source within the detection system. A straightforward correction for those non-linearities was applied in data processing, again by exploiting the accurate mass information. Based on the overall characterization results, the GC-TOFMS instrument was found to be very well suited for the task of quantitative halocarbon trace gas observation and a big step forward compared to scanning, quadrupole MS with low mass resolving power and a TOFMS technique reported to be non-linear and restricted by a small dynamical range.

scholarly journals Improved Mass Resolving Power and Yield in Atom Probe Tomography

2013 ◽  
Vol 19 (S2) ◽  
pp. 994-995 ◽  
Author(s):  
D.J. Larson ◽  
T.J. Prosa ◽  
J.H. Bunton ◽  
D.P. Olson ◽  
D.F. Lawrence ◽  
...  
Keyword(s):  
Atom Probe Tomography ◽  
Atom Probe ◽  
Resolving Power ◽  
Mass Resolving Power

Extended abstract of a paper presented at Microscopy and Microanalysis 2013 in Indianapolis, Indiana, USA, August 4 – August 8, 2013.

scholarly journals Limits for resolving tandem mass tag reporter ions with identical integer mass using phase constrained spectrum deconvolution

2018 ◽  
Author(s):  
Christian D. Kelstrup ◽  
Konstantin Aizikov ◽  
Tanveer S. Batth ◽  
Arne Kreutzman ◽  
Dmitry Grinfeld ◽  
...  
Keyword(s):  
Mass Spectrometer ◽  
Peptide Sequencing ◽  
Mass Resolution ◽  
Resolving Power ◽  
Acquisition Time ◽  
Tandem Mass ◽  
Optimal Method ◽  
Orbitrap Mass Spectrometer ◽  
Mass Resolving Power ◽  
Spectrum Deconvolution

ABSTRACTA popular method for peptide quantification relies on isobaric labeling such as tandem mass tags (TMT) which enables multiplexed proteome analyses. Quantification is achieved by reporter ions generated by fragmentation in a tandem mass spectrometer. However, with higher degrees of multiplexing, the smaller mass differences between the reporter ions increase the mass resolving power requirements. This contrasts with faster peptide sequencing capabilities enabled by lowered mass resolution on Orbitrap instruments. It is therefore important to determine the mass resolution limits for highly multiplexed quantification when maximizing proteome depth. Here we defined the lower boundaries for resolving TMT reporter ions with 0.0063 Da mass differences using an ultra-high-field Orbitrap mass spectrometer. We found the optimal method depends on the relative ratio between closely spaced reporter ions and that 64 ms transient acquisition time provided sufficient resolving power for separating TMT reporter ions with absolute ratio changes up to 16-fold. Furthermore, a 32 ms transient processed with phase-constrained spectrum deconvolution provides >50% more identifications with >99% quantified, but with a slight loss in quantification precision and accuracy. These findings should guide decisions on what Orbitrap resolution settings to use in future proteomics experiments relying on TMT reporter ion quantification with identical integer masses.

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