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Advanced Mass Spectrometric Technology: Development and Applications in Chemical and Biological Analysis

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Analytical Chemistry".

Deadline for manuscript submissions: closed (31 October 2023) | Viewed by 5033

Special Issue Editors

Prof. Dr. Zhiping Zhang

E-Mail Website
Guest Editor
School of Chemistry and Chemical Engineering, Xi’an Shiyou University, Xi’an 710065, China
Interests: mass spectrometry; ambient ionization; sample preparation; high-throughput analysis; reaction mechanism
Prof. Dr. Qiang Ma

E-Mail Website
Guest Editor
Chinese Academy of Inspection and Quarantine, Beijing 100176, China
Interests: mass spectrometry; ambient ionization; miniature mass spectrometer; green analytical chemistry; chromatography

Special Issue Information

Dear Colleagues,

​This Special Issue focuses mainly on theoretical and experimental studies on mass spectrometry, specially designed for chemical and biological analysis. Mass spectrometry has become an indispensable tool to determine charged particles' mass-to-charge ratios (m/z). As is well-known, its performance heavily depends on the development of ionization sources, ion transfer systems, and mass analyzers. Their advances pave the way for the high-efficiency analysis of target compounds in various samples. This issue covers the recent advances in the related studies of an ambient ionization source, ion transfer system, ​mass analyzer, and their applications to chemical and biological analysis. Along with the practical need for in-field analysis, the miniature of mass spectrometry has also received considerable attention. As such, miniaturized mass spectrometers are also included in this topic. Reviews, perspectives, research communications, and articles are welcome. The collected contributions will receive considerable attention from researchers and significantly impact the rapid development of mass spectrometry.   

Prof. Dr. Zhiping Zhang
Prof. Dr. Qiang Ma
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • mass spectrometry
  • ionization source
  • instrumentation
  • high-throughput determination
  • chemical and biological analysis
  • food safety
  • imaging
  • sample matrix removal

Published Papers (4 papers)

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Research

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12 pages, 1683 KiB  
Article
Multiplexing Quadrupole and Ion Trap Operation Modes on a “Brick” Miniature Mass Spectrometer
by Chaohong Feng, Siyu Liu, Ting Jiang and Wei Xu
Molecules 2023, 28(22), 7640; https://doi.org/10.3390/molecules28227640 - 17 Nov 2023
Viewed by 1257
Abstract
Although a quadruple mass analyzer and an ion trap mass analyzer have complementary analytical features, they usually have different geometries, operational modes, and electronic control systems. As a continuous effort to extend its coverage, both quadrupole and ion trap operation modes were realized [...] Read more.
Although a quadruple mass analyzer and an ion trap mass analyzer have complementary analytical features, they usually have different geometries, operational modes, and electronic control systems. As a continuous effort to extend its coverage, both quadrupole and ion trap operation modes were realized on a “brick” miniature mass spectrometer with a single mass analyzer. In the quadrupole operation mode, low-mass ions ranging from 31 to 502 Th can be analyzed. On the other hand, the ion trap mode can be utilized to cover ions with higher mass to charge ratios (up to 922 Th), as well as performing tandem mass spectrometry. To realize the multiplexing of both operation modes, a printed circuit board (PCB)-based multi-electrode quadrupole–ion trap mass analyzer was designed and integrated in the system. To cover both volatile and non-volatile molecules, two ionization sources were also implemented, including a nano electrospray ionization source and an in-vacuum plasma ionization source. Performances of the instrument operated in these two modes were characterized, such as mass resolution, sensitivity, and mass range. Results demonstrate that the combination of the quadrupole and ion trap operation modes can provide new capabilities when solving analytical problems. Full article
(This article belongs to the Special Issue Advanced Mass Spectrometric Technology: Development and Applications in Chemical and Biological Analysis)
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12 pages, 4003 KiB  
Article
Development and Application of a Chemical Ionization Focusing Integrated Ionization Source TOFMS for Online Detection of OVOCs in the Atmosphere
by Ruidong Liu, Yingzhe Guo, Mei Li, Jing Li, Dong Yang and Keyong Hou
Molecules 2023, 28(18), 6600; https://doi.org/10.3390/molecules28186600 - 13 Sep 2023
Viewed by 919
Abstract
Single photon ionization (SPI) based on vacuum ultraviolet (VUV) lamps has been extensively investigated and applied due to its clean mass spectra as a soft ionization method. However, the photon energy of 10.6 eV and photon flux of 1011 photons s−1 [...] Read more.
Single photon ionization (SPI) based on vacuum ultraviolet (VUV) lamps has been extensively investigated and applied due to its clean mass spectra as a soft ionization method. However, the photon energy of 10.6 eV and photon flux of 1011 photons s−1 of a commercial VUV lamp limits its range of ionizable analytes as well as its sensitivity. This work designs a chemical ionization focusing integrated (CIFI) ionization source time-of-flight mass spectrometry (TOFMS) based on a VUV lamp for the detection of volatile organic compounds (VOCs) and oxygenated volatile organic compounds (OVOCs). The photoelectrons obtained from the VUV lamp via the photoelectric effect ionized the oxygen and water in the air to obtain the reagent ions. The ion–molecule-reaction region (IMR) is constituted by a segmented quadrupole that radially focuses the ions using a radio-frequency electric field. This significantly enhances the yield and transport efficiency of the product ions leading to a great improvement in sensitivity. As a result, a 44-fold and 1154-fold increase in the signal response for benzene and pentanal were achieved, respectively. To verify the reliability of the ionization source, the linear correspondence and repeatability of benzene and pentanal were investigated. Satisfactory dynamic linearity was obtained in the mixing ratio range of 5–50 ppbv, and the relative standard deviation (RSD) of inter-day reached 3.91% and 6.26%, respectively. Finally, the CIFI−TOFMS was applied to the determination of OVOCs, and the LOD of 12 types of OVOCs reached the pptv level, indicating that the ionization source has the potential for accurate and sensitive online monitoring of atmospheric OVOCs. Full article
(This article belongs to the Special Issue Advanced Mass Spectrometric Technology: Development and Applications in Chemical and Biological Analysis)
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14 pages, 2774 KiB  
Article
Study on the Mass Spectrometry Fragmentation Patterns for Rapid Screening and Structure Identification of Ketamine Analogues in Illicit Powders
by Yilei Fan, Jianhong Gao, Xianxin Chen, Hao Wu, Xing Ke and Yu Xu
Molecules 2023, 28(18), 6510; https://doi.org/10.3390/molecules28186510 - 8 Sep 2023
Viewed by 1374
Abstract
Ketamine analogues have been emerging in recent years and are causing severe health and social problems worldwide. Ketamine analogues use 2-phenyl-2-aminocyclohexanone as the basic structure and achieve physiological reactions similar to or even more robust than the prototype of ketamine by changing the [...] Read more.
Ketamine analogues have been emerging in recent years and are causing severe health and social problems worldwide. Ketamine analogues use 2-phenyl-2-aminocyclohexanone as the basic structure and achieve physiological reactions similar to or even more robust than the prototype of ketamine by changing the substituents on the benzene ring (R1 and R2) and amine group (RN1). Therefore, the mass spectrometry (MS) fragmentation pathways and fragments of ketamine analogues have certain regularity. Eight ketamine analogues are systematically investigated by GC-QTOF/MS and LC-Q-Orbitrap MS/MS with the positive mode of electrospray ionization. The MS fragmentation patterns of ketamine analogues are summarized according to high-resolution MS data. The α-cleavage of carbon bond C1-C2 in the cyclohexanone moiety and further losses of CO, methyl radical, ethyl radical and propyl radical are the characteristic fragmentation pathways of ketamine analogues in EI-MS mode. The loss of H2O or the sequential loss of RN1NH2, CO and C4H6 are the distinctive fragmentation pathways of ketamine analogues in ESI-MS/MS mode. Moreover, these MS fragmentation patterns are first introduced for the rapid screening of ketamine analogues in suspicious powder. Furthermore, the structure of the ketamine analogue in suspicious powder is 2-(Methylamino)-2-(o-tolyl)cyclohexan-1-one, which is further confirmed by NMR. This study contributes to the identification of the chemical structure of ketamine analogues, which can be used for the rapid screening of ketamine analogues in seized chemicals. Full article
(This article belongs to the Special Issue Advanced Mass Spectrometric Technology: Development and Applications in Chemical and Biological Analysis)
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Review

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29 pages, 1798 KiB  
Review
Advanced Mass Spectrometry-Based Biomarker Identification for Metabolomics of Diabetes Mellitus and Its Complications
by Feixue Zhang, Shan Shan, Chenlu Fu, Shuang Guo, Chao Liu and Shuanglong Wang
Molecules 2024, 29(11), 2530; https://doi.org/10.3390/molecules29112530 - 27 May 2024
Viewed by 932
Abstract
Over the years, there has been notable progress in understanding the pathogenesis and treatment modalities of diabetes and its complications, including the application of metabolomics in the study of diabetes, capturing attention from researchers worldwide. Advanced mass spectrometry, including gas chromatography–tandem mass spectrometry [...] Read more.
Over the years, there has been notable progress in understanding the pathogenesis and treatment modalities of diabetes and its complications, including the application of metabolomics in the study of diabetes, capturing attention from researchers worldwide. Advanced mass spectrometry, including gas chromatography–tandem mass spectrometry (GC-MS/MS), liquid chromatography–tandem mass spectrometry (LC-MS/MS), and ultra-performance liquid chromatography coupled to electrospray ionization quadrupole time-of-flight mass spectrometry (UPLC-ESI-Q-TOF-MS), etc., has significantly broadened the spectrum of detectable metabolites, even at lower concentrations. Advanced mass spectrometry has emerged as a powerful tool in diabetes research, particularly in the context of metabolomics. By leveraging the precision and sensitivity of advanced mass spectrometry techniques, researchers have unlocked a wealth of information within the metabolome. This technology has enabled the identification and quantification of potential biomarkers associated with diabetes and its complications, providing new ideas and methods for clinical diagnostics and metabolic studies. Moreover, it offers a less invasive, or even non-invasive, means of tracking disease progression, evaluating treatment efficacy, and understanding the underlying metabolic alterations in diabetes. This paper summarizes advanced mass spectrometry for the application of metabolomics in diabetes mellitus, gestational diabetes mellitus, diabetic peripheral neuropathy, diabetic retinopathy, diabetic nephropathy, diabetic encephalopathy, diabetic cardiomyopathy, and diabetic foot ulcers and organizes some of the potential biomarkers of the different complications with the aim of providing ideas and methods for subsequent in-depth metabolic research and searching for new ways of treating the disease. Full article
(This article belongs to the Special Issue Advanced Mass Spectrometric Technology: Development and Applications in Chemical and Biological Analysis)
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