Special Issue "Sample Preparation in Metabolomics Volume II"

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

Deadline for manuscript submissions: 30 June 2022.

Special Issue Editors

Prof. Dr. Tommaso Cataldi
E-Mail Website
Guest Editor
Centro Interdipartimentale SMART, Dipartimento di Chimica, Università degli Studi di Bari, Bari, Italy
Interests: LC-MS; metabolic processes; lipids; abiotic stress; neurodegenerative disorders
Prof. Dr. Cosima Damiana Calvano
E-Mail Website
Guest Editor
Centro Interdipartimentale SMART, Dipartimento di Farmacia-Scienze del Farmaco, Università degli Studi di Bari, I-70126 Bari, Italy
Interests: MALDI mass spectrometry; fibroblasts; food lipidomics; low molecular weight compounds
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The metabolome has been defined as the qualitative and the quantitative collection of the entire low-molecular-weight molecules, namely metabolites, present in the cells that participate in metabolic reactions and that are essential for their maintenance, growth, and ordinary function. The metabolome includes, among other compounds, amino acids, vitamins, fatty acids, carbohydrates, and lipids.

For metabolite untargeted or targeted profiling aiming at identifying and quantifying a selected number of metabolites, sample preparation plays a critical role to simplify metabolome complexity. This Special Issue of Metabolites will publish reviews and original articles covering the latest developments of sample purification such as solvent precipitation, ultrafiltration, liquid-liquid extraction, and solid-phase extraction for targeted and untargeted analysis using mass spectrometry platforms in application fields such as food analysis, biomedicine, clinical, microbiology,  pharmaceutical and biotechnology industries.

Sample preparation should be the papers’ focus related to deep metabolite coverage, showing the simplicity and minimal handling needed to prevent metabolite loss and/or modification, to reduce the occurrence of extraneous contaminants, and to guarantee reproducibility in metabolome composition.

Finally, comprehensive studies comparing the performance of various sample preparation methods in metabolomics are welcome to aid in the selection of the most appropriate method for a given application.

Prof. Dr. Tommaso Cataldi
Prof. Dr. Cosima Damiana Calvano
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 papers will be 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 2000 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

  • metabolome
  • lipids
  • mass spectrometry
  • liquid chromatography
  • solid phase extraction
  • sample handling
  • metabolite extraction
  • purification

Published Papers (1 paper)

Order results
Result details
Select all
Export citation of selected articles as:

Research

Article
Automated Sample Preparation and Data Collection Workflow for High-Throughput In Vitro Metabolomics
Metabolites 2022, 12(1), 52; https://doi.org/10.3390/metabo12010052 - 08 Jan 2022
Viewed by 301
Abstract
Regulatory bodies have started to recognise the value of in vitro screening and metabolomics as two types of new approach methodologies (NAMs) for chemical risk assessments, yet few high-throughput in vitro toxicometabolomics studies have been reported. A significant challenge is to implement automated [...] Read more.
Regulatory bodies have started to recognise the value of in vitro screening and metabolomics as two types of new approach methodologies (NAMs) for chemical risk assessments, yet few high-throughput in vitro toxicometabolomics studies have been reported. A significant challenge is to implement automated sample preparation of the low biomass samples typically used for in vitro screening. Building on previous work, we have developed, characterised and demonstrated an automated sample preparation and analysis workflow for in vitro metabolomics of HepaRG cells in 96-well microplates using a Biomek i7 Hybrid Workstation (Beckman Coulter) and Orbitrap Elite (Thermo Scientific) high-resolution nanoelectrospray direct infusion mass spectrometry (nESI-DIMS), across polar metabolites and lipids. The experimental conditions evaluated included the day of metabolite extraction, order of extraction of samples in 96-well microplates, position of the 96-well microplate on the instrument’s deck and well location within a microplate. By using the median relative standard deviation (mRSD (%)) of spectral features, we have demonstrated good repeatability of the workflow (final mRSD < 30%) with a low percentage of features outside the threshold applied for statistical analysis. To improve the quality of the automated workflow further, small method modifications were made and then applied to a large cohort study (4860 sample infusions across three nESI-DIMS assays), which confirmed very high repeatability of the whole workflow from cell culturing to metabolite measurements, whilst providing a significant improvement in sample throughput. It is envisioned that the automated in vitro metabolomics workflow will help to advance the application of metabolomics (as a part of NAMs) in chemical safety, primarily as an approach for high throughput screening and prioritisation. Full article
(This article belongs to the Special Issue Sample Preparation in Metabolomics Volume II)
Show Figures

Graphical abstract

Back to TopTop