A study of the gas interference effects in quadrupole mass spectrometer

Dong, Meng; Wenjun, Sun; Cheng, Yongjun; Zhang, Suzhao; Wang, Xinghui; Xiang-min, WU; Zhao, Lihua; Chen, Lian; Wu, Chengyao; Song, Yi Ping; Zhang, Ruifang

doi:10.1088/1361-6501/ac4ed5

Cited by 3 publications

(4 citation statements)

References 15 publications

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“…Step 4: Update the position of each particle x j (n), as shown in Equation (2). According to the four velocities obtained in Step 3, four new positions, denoted as x L j (n + 1), x E j (n + 1), x P j (n + 1), x R j (n + 1), are obtained.…”

Section: Improved Pso Algorithmmentioning

confidence: 99%

“…The quadrupole mass spectrometer (QMS) is a highly efficient mass spectrometer with excellent sensitivity and selectivity for various analytical applications [ 1 , 2 ], such as clinical diagnosis, the identification and quantification of biomolecules [ 3 ], drug metabolism studies [ 4 ], and environmental monitoring [ 5 ]. With the widespread use of QMS mass spectrometers in recent years, users not only inquire about the higher sensitivity of the instrument, but also pursue the intelligence and automation of the instrument, with analytical experiments performed quickly [ 6 ].…”

Section: Introductionmentioning

confidence: 99%

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Multi-Parameter Auto-Tuning Algorithm for Mass Spectrometer Based on Improved Particle Swarm Optimization

Jia,

Li,

Xiong

et al. 2023

Bioengineering

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Quadrupole mass spectrometers (QMS) are widely used for clinical diagnosis and chemical analysis. To obtain the best experimental results, mass spectrometers must be calibrated to an ideal setting before use. However, tuning the current QMS is challenging. Traditional tuning techniques possess low automation levels and rely primarily on skilled engineers. Therefore, in this study, we propose an innovative auto-tuning algorithm for QMS based on the improved particle swarm optimization (PSO) algorithm to automatically find the optimal solution of QMS parameters and make the QMS reach the optimal state. The improved PSO algorithm is combined with simulated annealing, multiple inertia weights, dynamic boundaries, and other methods to prevent the traditional PSO algorithm from the issue of a local optimal solution and premature convergence. According to the characteristics of the mass spectrum peaks, a termination function is proposed to simplify the termination conditions of the PSO algorithm and further improve the automation level of the mass spectrometer. The results of auto-calibration testing of resolution and mass axis show that both resolution and mass axis calibration could effectively meet the requirements of mass spectrometry experiments. By the experiment of auto-optimization testing of lens and ion source parameters, these parameters were all in the vicinity of the optimal solution, which achieved the expected performance. Through numerous experiments, the reproducibility of the algorithm was established as meeting the auto-tuning function of the QMS. The proposed method can automatically tune the mass spectrometer from its non-optimal condition to the optimal one, which can effectively reduce the tuning difficulty of QMS.

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Section: Improved Pso Algorithmmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Multi-Parameter Auto-Tuning Algorithm for Mass Spectrometer Based on Improved Particle Swarm Optimization

Jia,

Li,

Xiong

et al. 2023

Bioengineering

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“…Ever since the factors that cause sensitivity instability of quadrupole mass spectrometers have been reported, 15–19 calibration of such instruments for quantitative analysis of gas mixtures has also been discussed in the literature 20–28 . Regarding hydrogen‐containing mixtures, our literature survey revealed that the interference effect was studied for mixtures of: Ar and H 2 20,21,28,29 ; H 2 , Ne, and Ar 21 ; N 2 and H 2 28,30 ; He and H 2 28 ; Ar and a mixture of H 2 , CO, and CO 2 28 ; a series of H 2 , CO, and CO 2 with a mixture of He, N 2 , and Ar 17 ; and H 2 , O 2 , and CO 2 mixtures 20 . The interference of CO and CO 2 in H 2 has not been addressed frequently.…”

Section: Introductionmentioning

confidence: 98%

“…Ever since the factors that cause sensitivity instability of quadrupole mass spectrometers have been reported, [15][16][17][18][19] calibration of such instruments for quantitative analysis of gas mixtures has also been discussed in the literature. [20][21][22][23][24][25][26][27][28] Regarding hydrogen-containing mixtures, our literature survey revealed that the interference effect was studied for mixtures of: Ar and H 2 20,21,28,29 was used as a second trace gas alongside the same interfering gases, CO and CO 2 . Consequently, QMS sensitivity was also examined for binary deuterium and interfering gas mixtures at different ratios.…”

Section: Introductionmentioning

confidence: 99%

Addressing challenges with evaluating hydrogen‐selective membrane performance by quadrupole mass spectrometry

Kurtishaj,

Žumer,

Nemanič

et al. 2024

J Mass Spectrom

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Hydrogen separation using nanostructured membranes has gained research attention because of its potential to produce high‐purity hydrogen by separating gases at the molecular level. Quadrupole mass spectrometry (QMS) is one method to evaluate these membranes' effectiveness in separating hydrogen from gas mixtures. However, quantifying gases in a mixture with QMS is challenging, especially when heavier gas ions interfere with a light gas ion, resulting in lower quantification accuracy. This study addresses this challenge by presenting a detailed calibration procedure that significantly improves hydrogen quantification accuracy up to a factor of 2.5. CO and CO2 were chosen as interfering gases because they are commonly released in conventional hydrogen production processes. By carefully evaluating the performance of these membranes, new opportunities for hydrogen separation may be realized.

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The hunt for formamide in interstellar ices

Slavicinska¹,

Rachid²,

Rocha³

et al. 2023

A&A

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Context. Although solid-state pathways are expected to dominate the formation mechanisms of many complex organic molecules (COMs), very few COMs have been securely identified in interstellar ices, in stark contrast with the many COM detections in the gas phase. The launch of the James Webb Space Telescope (JWST) and its increase in sensitivity and spectral resolution opens the possibility of identifying more COMs in ices, but additional laboratory data are necessary. Formamide (NH2CHO) is one such COM that is of great interstellar and prebiotic relevance where more laboratory data are needed in the hunt for its presence in interstellar ices. Aims. This work aims to characterize the mid-IR spectra of formamide in its pure form as well as in mixtures of the most abundant interstellar ices via laboratory simulation of such ices, as well as to demonstrate how these laboratory spectra can be used to search for formamide in ice observations. Methods. Mid-IR spectra (4000–500 cm−1/2.5–20 μm) of formamide, both in its pure form as well as in binary and tertiary mixtures with H2O, CO2, CO, NH3, CH3OH, H2O:CO2, H2O:NH3, CO:NH3, and CO:CH3OH, were collected at temperatures ranging from 15–212 K. Results. Apparent band strengths and positions of eight IR bands of pure amorphous and crystalline formamide at various temperatures are provided. Three of these bands are identified as potential formamide tracers in observational ice spectra: the overlapping C = O stretch and NH2 scissor bands at 1700.3 and 1630.4 cm−1 (5.881 and 6.133 μm), the CH bend at 1388.1 cm−1 (7.204 μm), and the CN stretch at 1328.1 cm−1 (7.529 μm). The relative apparent band strengths, positions, and full width half maxima (FWHM) of these features in mixtures at various temperatures were also determined. All of the laboratory spectra are available to the community on the Leiden Ice Database for Astrochemistry (LIDA) for use in the interpretation of both observations (e.g., from JWST) and laboratory spectroscopic data. Finally, the laboratory spectra are compared to observational spectra of a variety of low- and high-mass young stellar objects as well as prestellar cores observed with the Infrared Space Observatory, the Spitzer Space Telescope, and JWST. A comparison between the formamide CH bend in laboratory data and the 7.24 μm band in the observations tentatively indicates that, if formamide ice is contributing significantly to the observed absorption, it is more likely in a polar matrix. Upper limits ranging from 0.35-5.1% with respect to H2O were calculated via scaling the formamide:H2O laboratory spectrum to the observations. These upper limits are in agreement with gas-phase formamide abundances and take into account the effect of a H2O matrix on formamide’s band strengths.

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A study of the gas interference effects in quadrupole mass spectrometer

Cited by 3 publications

References 15 publications

Multi-Parameter Auto-Tuning Algorithm for Mass Spectrometer Based on Improved Particle Swarm Optimization

Multi-Parameter Auto-Tuning Algorithm for Mass Spectrometer Based on Improved Particle Swarm Optimization

Addressing challenges with evaluating hydrogen‐selective membrane performance by quadrupole mass spectrometry

The hunt for formamide in interstellar ices

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