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Metabolites
Special Issues
Advancements in Mass Spectrometry Techniques for Metabolomic and Pharmaceutical Analysis
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Advancements in Mass Spectrometry Techniques for Metabolomic and Pharmaceutical Analysis

A special issue of Metabolites (ISSN 2218-1989). This special issue belongs to the section "Pharmacology and Drug Metabolism".

Deadline for manuscript submissions: 30 June 2026 | Viewed by 966

Special Issue Editors

Dr. Xiaowei Song

E-Mail Website
Guest Editor
Institute of Biopharmaceutical and Health Engineering, Shenzhen International Graduate School, Tsinghua University, Shenzhen 518055, China
Interests: ambient ionization mass spectrometry; mass spectrometry imaging; spatial metabolomics; cancer diagnosis; metabolic profiling; drug research and development
Special Issues, Collections and Topics in MDPI journals
Dr. Fangling Wu

E-Mail Website
Guest Editor
Institute of Mass Spectrometry, School of Material Science and Chemical Engineering, Ningbo University, Ningbo 315211, China
Interests: analytical chemistry; mass spectrometry research

Special Issue Information

Dear Colleagues,

Mass spectrometry is an indispensable technique in life sciences research, as it can be used to characterize the metabolic profile of complex biomatrices, investigate drug pharmacokinetics, visualize the spatial distribution of metabolites, differentiate stereoisomers, and discover disease-associated biomarkers.

Given the importance of mass spectrometry in advancing biochemical, pharmaceutical, and biomedical sciences, this Special Issue aims to present research and review articles related to topics of mass spectrometry techniques and its applications in metabolomic, pharmaceutical, and biochemical analyses.

We welcome submissions highlighting technical advancements in mass spectrometry, including but not limited to the following topics: sample pretreatment (purification, derivatization, and enrichment); hyphenated techniques (chromatography, spectroscopy, electrochemistry, etc.); in situ sampling and ambient ionization for spatial metabolomics; high-dimensional and multi-modular data processing in multi-omics; and bioinformatics analysis for reliable marker discovery and annotation.

Dr. Xiaowei Song
Dr. Fangling Wu
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 250 words) can be sent to the Editorial Office for assessment.

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

  • ambient ionization
  • mass spectrometry imaging
  • sample pretreatment
  • isomer analysis
  • marker discovery
  • ion annotation
  • structural identification
  • artificial intelligence
  • multi-omics

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Published Papers (1 paper)

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Research

23 pages, 5073 KB  
Article
Untargeted LC–MS/MS Metabolomics Reveals Nrf2-Mediated Antioxidant Activation and Metabolic Reprogramming by IAA-Based Hydrazone Derivatives in Subchronic Cadmium Toxicity
by Muhammad Usama Munir, Muhammad Sajid Hamid Akash, Kanwal Rehman, Aisha Rafique and Sehar Madni
Metabolites 2026, 16(3), 155; https://doi.org/10.3390/metabo16030155 - 26 Feb 2026
Viewed by 672
Abstract
Background: Indole-3-acetic acid (IAA)-based hydrazone derivatives, exemplified by specifically (E)-2-(1H-indol-3-yl)-N′-(3-methoxybenzylidene) acetohydrazide acetohydrazide (MBIH) and (E)-N′-(4-fluorobenzylidene)-2-(1H-indol-3-yl) acetohydrazide (FBIH), have garnered significant attention in the field of heavy metal toxicity for their potent antioxidant and cytoprotective properties. Methods: This study evaluated their efficacy, alongside ascorbic [...] Read more.
Background: Indole-3-acetic acid (IAA)-based hydrazone derivatives, exemplified by specifically (E)-2-(1H-indol-3-yl)-N′-(3-methoxybenzylidene) acetohydrazide acetohydrazide (MBIH) and (E)-N′-(4-fluorobenzylidene)-2-(1H-indol-3-yl) acetohydrazide (FBIH), have garnered significant attention in the field of heavy metal toxicity for their potent antioxidant and cytoprotective properties. Methods: This study evaluated their efficacy, alongside ascorbic acid (AA), in mitigating sub-chronic cadmium (Cd) toxicity in a rat model. Sixty Swiss albino rats were randomized into five groups: control, Cd-exposed, Cd + AA (100 mg/kg), Cd + MBIH (10 mg/kg), and Cd + FBIH (10 mg/kg). Following 28 days of treatment, we assessed body weight trajectories, fasting blood glucose, and HbA1c. Serum biomarkers of hepatic, renal, inflammatory, and lipid function were quantified. Antioxidant capacity was measured via glutathione (GSH) assays and qRT-PCR analysis of SOD2, CAT, Nrf2, and Hmox 1 expression. Untargeted LC–MS/MS metabolomic profiling of serum identified disturbances in amino acids and lipid species, while histopathology of brain, liver, and pancreas documented structural injury. Results: Cd exposure induced significant weight loss, hyperglycemia, and elevated HbA1c, alongside dyslipidemia and heightened inflammatory markers. Hepatic and renal dysfunction, GSH depletion, and downregulation of antioxidant genes confirmed oxidative stress. Metabolomics revealed a Cd-specific fingerprint characterized by altered sulfur amino acid and phospholipid metabolism. Histologically, Cd caused liquefactive necrosis in the brain, inflammatory infiltrates in the liver, and acinar cell vacuolization with islet distortion in the pancreas. In contrast, MBIH and FBIH restored glycemic control, lipid profiles, inflammatory and hepatic renal markers, replenished GSH, and upregulated antioxidant genes via robust Nrf2 activation. Conclusions: These findings demonstrate that IAA-based hydrazone derivatives MBIH and FBIH afford superior protection against Cd-induced multi organ injury compared to ascorbic acid. Full article
(This article belongs to the Special Issue Advancements in Mass Spectrometry Techniques for Metabolomic and Pharmaceutical Analysis)
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