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Metabolites
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Mass Spectrometry in Metabolomics
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Mass Spectrometry in Metabolomics

A special issue of Metabolites (ISSN 2218-1989). This special issue belongs to the section "Metabolomic Profiling Technology".

Deadline for manuscript submissions: closed (31 July 2023) | Viewed by 6252

Special Issue Editor

Prof. Dr. Yoshiya Oda

E-Mail Website
Guest Editor
Graduate School of Medicine, The University of Tokyo, Tokyo 113-0033, Japan
Interests: clinical biomarkers; proteomics; metabolomics; lipidomics; diagnosis
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Metabolism is the chemical process that occurs in cells and living organisms to produce substances and energy needed to sustain life. Metabolomics focuses primarily on small molecular metabolites. The metabolome is considered to be more phenotypic than the genome because metabolites are variable depending on disease and environment. However, we do not know what and how many metabolites are present in the cell. Metabolomics deals with compounds that are widely different in their physicochemical properties. Advances in mass spectrometry have made it possible to measure a large number of metabolites. Even so, it is not possible to obtain the whole picture in a single analysis. There are many challenges in mass spectrometry, such as the certainty of metabolite identification and precise control of quantitative data. However, mass spectrometry has revealed many biological phenomena through metabolomics. In this Special Issue, we will discuss the latest information on metabolomics via mass spectrometry.

Prof. Dr. Yoshiya Oda
Guest Editor

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. Metabolites is an international peer-reviewed open access monthly 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
  • sample preparation
  • chromatography
  • identification
  • quantitation
  • comprehensiveness
  • high-throughput
  • pathway
  • biological function
  • disease

Published Papers (5 papers)

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Research

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13 pages, 2784 KiB  
Article
Metabolomic Changes in Plasma of Preterminal Stage of Rhesus Nonhuman Primates Exposed to Lethal Dose of Radiation
by Alana D. Carpenter, Oluseyi O. Fatanmi, Stephen Y. Wise, Sarah A. Petrus, John B. Tyburski, Amrita K. Cheema and Vijay K. Singh
Metabolites 2024, 14(1), 18; https://doi.org/10.3390/metabo14010018 - 27 Dec 2023
Viewed by 962
Abstract
Ionizing radiation exposure is known to induce molecular and cellular injury, inflicting a cascade of potentially catastrophic events leading to tissue and organ damage. Metabolomic analysis allows for the identification and quantification of small molecules downstream of genomic changes induced by radiation exposure. [...] Read more.
Ionizing radiation exposure is known to induce molecular and cellular injury, inflicting a cascade of potentially catastrophic events leading to tissue and organ damage. Metabolomic analysis allows for the identification and quantification of small molecules downstream of genomic changes induced by radiation exposure. We aimed to characterize metabolomic changes that underscore the prefinal stage of lethally irradiated rhesus nonhuman primates (NHPs). Peripheral blood was drawn at baseline, post-exposure, as well as at the preterminal stage in NHPs (immediately prior to death in moribund NHPs) that did not survive exposure with 7.2 Gy total-body radiation (LD70/60). Herein, we analyzed global metabolomic changes using ultra-performance liquid chromatography (UPLC) quadrupole time-of-flight mass spectrometry (QTOF-MS) in plasma samples of NHPs collected at various timepoints in relation to irradiation. The overall goal was to identify metabolic shifts present immediately prior to death. Our findings showed radiation induced significant time-dependent metabolic perturbations when compared to pre-irradiation profiles, particularly in glycerophospholipid metabolism and steroid hormone biosynthesis and metabolism pathways. These findings provide valuable insights for identifying biomarkers for lethality, which may be helpful for triage during a mass casualty scenario. Full article
(This article belongs to the Special Issue Mass Spectrometry in Metabolomics)
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17 pages, 1816 KiB  
Article
Food Monitoring: Limitations of Accelerated Storage to Predict Molecular Changes in Hazelnuts (Corylus avellana L.) under Realistic Conditions Using UPLC-ESI-IM-QTOF-MS
by Henri Loesel, Navid Shakiba, Soeren Wenck, Phat Le Tan, Tim-Oliver Karstens, Marina Creydt, Stephan Seifert, Thomas Hackl and Markus Fischer
Metabolites 2023, 13(10), 1031; https://doi.org/10.3390/metabo13101031 - 25 Sep 2023
Cited by 1 | Viewed by 1144
Abstract
Accelerated storage is routinely used with pharmaceuticals to predict stability and degradation patterns over time. The aim of this is to assess the shelf life and quality under harsher conditions, providing crucial insights into their long-term stability and potential storage issues. This study [...] Read more.
Accelerated storage is routinely used with pharmaceuticals to predict stability and degradation patterns over time. The aim of this is to assess the shelf life and quality under harsher conditions, providing crucial insights into their long-term stability and potential storage issues. This study explores the potential of transferring this approach to food matrices for shelf-life estimation. Therefore, hazelnuts were stored under accelerated short-term and realistic long-term conditions. Subsequently, they were analyzed with high resolution mass spectrometry, focusing on the lipid profile. LC-MS analysis has shown that many unique processes take place under accelerated conditions that do not occur or occur much more slowly under realistic conditions. This mainly involved the degradation of membrane lipids such as phospholipids, ceramides, and digalactosyldiacylglycerides, while oxidation processes occurred at different rates in both conditions. It can be concluded that a food matrix is far too complex and heterogeneous compared to pharmaceuticals, so that many more processes take place during accelerated storage, which is why the results cannot be used to predict molecular changes in hazelnuts stored under realistic conditions. Full article
(This article belongs to the Special Issue Mass Spectrometry in Metabolomics)
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12 pages, 1839 KiB  
Article
Metabolic Bile Acid Profile Impairments in Dogs Affected by Chronic Inflammatory Enteropathy
by Rossana Comito, Emanuele Porru, Nicolò Interino, Matteo Conti, Rossella Terragni, Roberto Gotti, Marco Candela, Patrizia Simoni, Aldo Roda and Jessica Fiori
Metabolites 2023, 13(9), 980; https://doi.org/10.3390/metabo13090980 - 30 Aug 2023
Cited by 3 | Viewed by 973
Abstract
Bile acids (BAs), endogenous acidic steroids synthetized from cholesterol in the liver, play a key role in the gut–liver axis physiopathology, including in hepatotoxicity, intestinal inflammatory processes, and cholesterol homeostasis. Faecal Oxo-BAs, relatively stable intermediates of oxidation/epimerization reactions of the BA hydroxyls, could [...] Read more.
Bile acids (BAs), endogenous acidic steroids synthetized from cholesterol in the liver, play a key role in the gut–liver axis physiopathology, including in hepatotoxicity, intestinal inflammatory processes, and cholesterol homeostasis. Faecal Oxo-BAs, relatively stable intermediates of oxidation/epimerization reactions of the BA hydroxyls, could be relevant to investigating the crosstalk in the liver–gut axis and the relationship between diseases and alterations in microbiota composition. A paucity of information currently exists on faecal BA profiles in dogs with and without chronic inflammatory enteropathy (CIE). Comprehensive assessment of 31 molecules among faecal BAs and related microbiota metabolites was conducted with high-performance liquid chromatography tandem mass spectrometry (HPLC-MS/MS). Odds ratios (ORs) for associations of BAs with CIE were estimated using logistic regression. Principal component analysis was performed to find differences between the control and pathological dogs. Higher levels of primary BAs and muricholic acids, and lower levels of secondary BAs were found in pathological dogs. Higher concentrations in faecal oxo-metabolites were associated with the absence of CIE (OR < 1). This study shows a marked difference in faecal BA profiles between dogs with and without CIE. Further research will be needed to better understand the role of oxo-BAs and muricholic acids in CIE dogs. Full article
(This article belongs to the Special Issue Mass Spectrometry in Metabolomics)
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12 pages, 2141 KiB  
Article
Lipidomic Analysis of Hand Skin Surface Lipids Reveals Smoking-Related Skin Changes
by Tian Chen, Mengzhen Zhao and Zhenxing Mao
Metabolites 2023, 13(2), 254; https://doi.org/10.3390/metabo13020254 - 09 Feb 2023
Viewed by 1498
Abstract
Smoking contributes to the formation of skin wrinkles and reduces skin function, but the mechanism is not yet fully proven. This study aims to compare and analyze the effects of smoking on skin lipids and to further investigate the harmful effects of smoking [...] Read more.
Smoking contributes to the formation of skin wrinkles and reduces skin function, but the mechanism is not yet fully proven. This study aims to compare and analyze the effects of smoking on skin lipids and to further investigate the harmful effects of smoking on the skin. A total of 40 subjects (20 male smokers and 20 healthy control males) were recruited for this study. Measurement of hand skin-surface lipids (SSLs) in smoking and healthy control groups was undertaken using ultra-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS). Multivariate data analysis was used to investigate the differences in SSLs between the two groups. There were 1230 lipids detected in the two groups and significant differences in SSLs’ composition were observed between them. Under selected conditions, 26 types of lipid with significant differences were observed between the two groups (p < 0.05). Sphingolipids (SP) and glycerolipids (GL) were significantly increased, and sterol lipids (ST) were significantly reduced. Smoking causes changes in skin lipids that disrupt skin homeostasis, making the skin more fragile and more susceptible to skin aging and diseases. Full article
(This article belongs to the Special Issue Mass Spectrometry in Metabolomics)
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Review

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13 pages, 301 KiB  
Review
The Role of Mass Spectrometry in Hepatocellular Carcinoma Biomarker Discovery
by Eric Yi-Liang Shen, Mei Ran Abellona U, I. Jane Cox and Simon D. Taylor-Robinson
Metabolites 2023, 13(10), 1059; https://doi.org/10.3390/metabo13101059 - 08 Oct 2023
Viewed by 951
Abstract
Hepatocellular carcinoma (HCC) is the main liver malignancy and has a high mortality rate. The discovery of novel biomarkers for early diagnosis, prognosis, and stratification purposes has the potential to alleviate its disease burden. Mass spectrometry (MS) is one of the principal technologies [...] Read more.
Hepatocellular carcinoma (HCC) is the main liver malignancy and has a high mortality rate. The discovery of novel biomarkers for early diagnosis, prognosis, and stratification purposes has the potential to alleviate its disease burden. Mass spectrometry (MS) is one of the principal technologies used in metabolomics, with different experimental methods and machine types for different phases of the biomarker discovery process. Here, we review why MS applications are useful for liver cancer, explain the MS technique, and briefly summarise recent findings from metabolomic MS studies on HCC. We also discuss the current challenges and the direction for future research. Full article
(This article belongs to the Special Issue Mass Spectrometry in Metabolomics)
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