Advances in LC-MS-Based Metabolomics: From (Un)targeted Screening to Structural Elucidation

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

Deadline for manuscript submissions: 31 October 2025 | Viewed by 895

Special Issue Editors


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Guest Editor
Department of Chemistry, University of Bari Aldo Moro, 70126 Bari, Italy
Interests: lipidomics; metabolomics; hyphenated mass spectrometry techniques

E-Mail Website
Guest Editor
Department of Chemistry, University of Bari Aldo Moro, 70126 Bari, Italy
Interests: lipidomics; metabolomics; liquid chromatography–mass spectrometry
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Special Issue Information

Dear Colleagues,

In the past few decades, advances in LC-MS technology have led to the expansion of metabolomics among the “omics” disciplines. On one hand, the unpaired sensitivity and versatility of MS platforms supported the development of analytical methods where tenths to hundreds of metabolites were successfully identified and quantified in a single run. On the other hand, the improvements in the field of separation science and the progressive increase in the employment of ion mobility MS provided further tools to address the unambiguous identification of isomeric species. Nowadays, the use of high-throughput LC-MS methods in combination with the latest bioinformatics tools can be reliably exploited to deepen our understanding of complex biological systems and improve the characterization of complex food matrices through targeted or untargeted metabolomics.

This Special Issue focuses on the application of innovative LC-MS approaches for animal and plant metabolomic studies. Careful attention has been dedicated to the use of MS-based strategies for the identification of lipids and low-to-average mass (<2000 Da) metabolites. The synergic use of spectroscopic and chemical tools (e.g., derivatization and reactivity evaluation) for structure elucidation is also a topic of interest. This Special Issue is also oriented toward the development and application of (un)targeted LC-MS methods for metabolomic qualitative and quantitative studies.

Dr. Andrea Castellaneta
Prof. Dr. Ilario Losito
Guest Editors

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Keywords

  • liquid chromatography
  • high-resolution and multi-stage mass spectrometry
  • lipidomics
  • structure elucidation
  • LC-MS methods for metabolite screening
  • quantitative method development

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Published Papers (1 paper)

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Research

21 pages, 2922 KiB  
Article
The Lipid Composition of the Exo-Metabolome from Haemonchus contortus
by Pablo Godoy, Behrouz Rezanezhad Dizaji, Adriana Zardini Buzatto, Laura Sanchez and Liang Li
Metabolites 2025, 15(3), 193; https://doi.org/10.3390/metabo15030193 - 11 Mar 2025
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Abstract
Background/Objectives: Metabolomic studies of different parasite-derived biomolecules, such as lipids, are needed to broaden the discovery of novel targets and overcome anthelmintic resistance. Lipids are involved in diverse functions in biological systems, including parasitic helminths, but little is known about their role [...] Read more.
Background/Objectives: Metabolomic studies of different parasite-derived biomolecules, such as lipids, are needed to broaden the discovery of novel targets and overcome anthelmintic resistance. Lipids are involved in diverse functions in biological systems, including parasitic helminths, but little is known about their role in the biology of these organisms and their impact on host–parasite interactions. This study aimed to characterize the lipid profile secreted by Haemonchus contortus, the major parasitic nematodes of farm ruminants. Methods: H. contortus adult worms were recovered from infected sheep and cultured ex vivo. Parasite medium was collected at different time points and samples were subjected to an untargeted global lipidomic analysis. Lipids were extracted and subjected to Liquid Chromatography–Mass Spectrometry (LC-MS/MS). Annotated lipids were normalized and subjected to statistical analysis. Lipid clusters’ fold change (FC) and individual lipid features were compared at different time points. Lipids were also analyzed by structural composition and saturation bonding. Results: A total of 1057 H. contortus lipid features were annotated, including glycerophospholipids, fatty acyls, sphingolipids, glycerolipids, and sterols. Most of these compounds were unsaturated lipids. We found significant FC differences in the lipid profile in a time-dependent manner. Conclusions: We predict that many lipids found in our study act as signaling molecules for nematodes’ physiological functions, such as adaptation to nutrient changes, life span and mating, and as modulators on the host immune responses. Full article
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