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State-of-the-Art Analytical Technologies for Metabolomics Analysis

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

Deadline for manuscript submissions: closed (31 December 2022) | Viewed by 4038

Special Issue Editor


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Guest Editor
Chair of Analytical Chemistry, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw, Poland
Interests: ADME; ICP-MS; metal-based drugs; speciation analysis; metallodrugs; separation techniques; bio-fluids

Special Issue Information

Dear Colleagues,

The term metabolome was first introduced in 1998. It refers to law-molecular-weight compounds crucial for biochemical changes occurring in living organisms. They can be produced directly by the organism or microorganisms inhabiting the host organism or delivered to the organism via different non-invasive or invasive methods. The rapid development of research in this area has proven that the pool of metabolites is much richer than initially anticipated and requires complex instrumental techniques to ensure high selectivity and sensitivity. Metabolites therefore present a distinct analytical challenge in which several issues must be taken into consideration to obtain adequately reliable results for both qualitative and quantitative analysis. These include thermal lability and chemical reactivity of metabolites leading to transformation of metabolites during subsequent steps of the analytical process (isolation from biological material, purification or even detection itself). The low molecular weights and high structural diversity of metabolites often require the use of high-performance separation techniques and molecule-specific spectrometers by analytical biochemists experienced in spectral interpretation and statistical analysis who must additionally overcome a shortage of standards for majority of metabolites. Over 20 years of practice in metabolomics allow us to define its limitations, strengths, and set directions for future development.

Therefore, this Special Issue aims to call for original research and review articles on overcoming analytical problems encountered in targeted and untargeted metabolomics, with an emphasis on the development of strategies required for qualitative and quantitative analysis.

Potential topics include but are not limited to:

  • New methods for sample preparation, purification, and enrichment of metabolites;
  • Development of un-targeted, semi-, and targeted strategies in metabolomics (analytical platforms);
  • Identification and characterization of metabolites based on NMR and/or mass spectra analysis;
  • Different approaches applied for quantitative analysis with the aim to improve accuracy or precision of the method or to solve the problem of standards deficiency.

I look forward to receiving your contributions.

Dr. Katarzyna Pawlak
Guest Editor

Manuscript Submission Information

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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

  • targeted metabolomics
  • untargeted metabolomics
  • sample preparation
  • isotopically labeled compounds
  • mass spectrometry
  • separation techniques
  • NMR
  • statistical analysis
  • data visualization
  • computational chemistry

Published Papers (2 papers)

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Research

14 pages, 3479 KiB  
Article
Untargeted Metabolomic Analysis and Chemometrics to Identify Potential Marker Compounds for the Chemical Differentiation of Panax ginseng, P. quinquefolius, P. notoginseng, P. japonicus, and P. japonicus var. major
by Ruifeng Ji, Thomas Avery Garran, Yilu Luo, Meng Cheng, Mengyue Ren and Xiuteng Zhou
Molecules 2023, 28(6), 2745; https://doi.org/10.3390/molecules28062745 - 18 Mar 2023
Cited by 2 | Viewed by 1547
Abstract
The Panax L. genus is well-known for many positive physiological effects on humans, with major species including P. ginseng, P. quinquefolius, P. notoginseng, P. japonicus, and P. japonicus var. major, the first three of which are globally popular. [...] Read more.
The Panax L. genus is well-known for many positive physiological effects on humans, with major species including P. ginseng, P. quinquefolius, P. notoginseng, P. japonicus, and P. japonicus var. major, the first three of which are globally popular. The combination of UPLC-QTOF-MS and chemometrics were developed to profile “identification markers” enabling their differentiation. The establishment of reliable biomarkers that embody the intrinsic metabolites differentiating species within the same genus is a key in the modernization of traditional Chinese medicine. In this work, the metabolomic differences among these five species were shown, which is critical to ensure their appropriate use. Consequently, 49 compounds were characterized, including 38 identified robust biomarkers, which were mainly composed of saponins and contained small amounts of amino acids and fatty acids. VIP (projection variable importance) was used to identify these five kinds of ginseng. In conclusion, by illustrating the similarities and differences between the five species of ginseng with the use of an integrated strategy of combining UPLC-QTOF-MS and multivariate analysis, we provided a more efficient and more intelligent manner for explaining how the species differ and how their secondary metabolites affect this difference. The most important biomarkers that distinguished the five species included Notoginsenoside-R1, Majonoside R1, Vinaginsenoside R14, Ginsenoside-Rf, and Ginsenoside-Rd. Full article
(This article belongs to the Special Issue State-of-the-Art Analytical Technologies for Metabolomics Analysis)
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19 pages, 2880 KiB  
Article
Attomole-per Cell Atomic Mass Spectrometry Measurement of Platinum and Gold Drugs in Cultured Lung Cancer Cells
by Wioletta Jakubczak, Maja Haczyk-Więcek and Katarzyna Pawlak
Molecules 2021, 26(24), 7627; https://doi.org/10.3390/molecules26247627 - 16 Dec 2021
Cited by 3 | Viewed by 2108
Abstract
In this study, we developed a strategy to determine atto- and femtomolar amounts of metal ions in lysates and mineralizates of cells (human non-small-cell lung carcinoma (NSCLC, A549) and normal lung (MRC-5)) exposed to cytotoxic metallo-drugs: cisplatin and auranofin at concentrations close to [...] Read more.
In this study, we developed a strategy to determine atto- and femtomolar amounts of metal ions in lysates and mineralizates of cells (human non-small-cell lung carcinoma (NSCLC, A549) and normal lung (MRC-5)) exposed to cytotoxic metallo-drugs: cisplatin and auranofin at concentrations close to the half-maximal inhibitory drug concentrations (IC50). The developed strategy combines data obtained using biological and chemical approaches. Cell density was determined using two independent cell staining assays using trypan blue, calcein AM/propidium iodide. Metal concentrations in lysed and mineralized cells were established employing a mass spectrometer with inductively coupled plasma (ICP-MS) and equipped with a cross-flow nebulizer working in aspiration mode. It allowed for detecting of less than 1 fg of metal per cell. To decrease the required amount of sample material (from 1.5 mL to ~100 µL) without loss of sensitivity, the sample was introduced as a narrow band into a constant stream of liquid (flow-injection analysis). It was noticed that the selectivity of cisplatin accumulation by cells depends on the incubation time. This complex is accumulated by cells at a lower efficiency than auranofin and is found primarily in the lysate representing the cytosol. In contrast, auranofin interacts with water-insoluble compounds. Despite their different mechanism of action, both metallo-drugs increased the accumulation of transition metal ions responsible for oxidative stress. Full article
(This article belongs to the Special Issue State-of-the-Art Analytical Technologies for Metabolomics Analysis)
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