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Advances in Metabolomics and Small Molecules Analysis

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Biochemistry".

Deadline for manuscript submissions: closed (20 September 2023) | Viewed by 2338

Special Issue Editor

Skolkovo Institute of Science and Technology, Moscow 121205, Russia
Interests: mass spectrometry; ion chemistry; ionization techniques; metabolomics; isotope exchange
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The identification of small molecules using mass spectrometry has become the method of choice for many areas including drug screening, ecological monitoring, metabolomics, the identification of toxins, narcotics, etc., in complex natural and biological samples. In recent decades, considerable progress has been achieved in the development of novel scientific instruments and analytical methodologies, the creating of the datasets and databases, as well as the development of data processing approaches and corresponding software. These achievements, along with the rapid spread of LC-MS/MS and GC-MS systems, has advanced metabolomics to a new level.

With this, we welcome original research articles and state-of-the-art reviews including, but not limited to, the following topics:

  • Comprehensive reviews of the modern analytical instruments, databases, software, and research methodologies used in mass spectrometry-based metabolomics and small molecule identification approaches.
  • Metabolomics and small molecules analysis in healthcare. Search for the novel biomarkers of diseases, understanding of the metabiological pathways, and transition to personalized medicine.
  • Environmental analysis using mass spectrometry, including environmental toxicology, studies of natural organic matter, understanding interactions between plants and soil microflora, and the environmental impact of the drug consumption.
  • Metabolomics and small molecules identification in agriculture, food security, the food industry, and nutrition.
  • Analysis of small molecules for industry and energy areas including petroleomics, biofuel production, waste recycling.

Dr. Yury I. Kostyukevich
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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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
  • metabolomics
  • chromatography
  • small molecule identification
  • biomarkers
  • toxicology
  • machine learning
  • isotope exchange

Published Papers (2 papers)

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Research

16 pages, 7236 KiB  
Article
Investigating the Metabolism of Plants Germinated in Heavy Water, D2O, and H218O-Enriched Media Using High-Resolution Mass Spectrometry
by Sergey Osipenko, Anton Bashilov, Anna Vishnevskaya, Lidiia Rumiantseva, Anna Levashova, Anna Kovalenko, Boris Tupertsev, Albert Kireev, Eugene Nikolaev and Yury Kostyukevich
Int. J. Mol. Sci. 2023, 24(20), 15396; https://doi.org/10.3390/ijms242015396 - 20 Oct 2023
Viewed by 860
Abstract
Mass spectrometry has been an essential technique for the investigation of the metabolic pathways of living organisms since its appearance at the beginning of the 20th century. Due to its capability to resolve isotopically labeled species, it can be applied together with stable [...] Read more.
Mass spectrometry has been an essential technique for the investigation of the metabolic pathways of living organisms since its appearance at the beginning of the 20th century. Due to its capability to resolve isotopically labeled species, it can be applied together with stable isotope tracers to reveal the transformation of particular biologically relevant molecules. However, low-resolution techniques, which were used for decades, had limited capabilities for untargeted metabolomics, especially when a large number of compounds are labelled simultaneously. Such untargeted studies may provide new information about metabolism and can be performed with high-resolution mass spectrometry. Here, we demonstrate the capabilities of high-resolution mass spectrometry to obtain insights on the metabolism of a model plant, Lepidium sativum, germinated in D2O and H218O-enriched media. In particular, we demonstrated that in vivo labeling with heavy water helps to identify if a compound is being synthesized at a particular stage of germination or if it originates from seed content, and tandem mass spectrometry allows us to highlight the substructures with incorporated isotope labels. Additionally, we found in vivo labeling useful to distinguish between isomeric compounds with identical fragmentation patterns due to the differences in their formation rates that can be compared by the extent of heavy atom incorporation. Full article
(This article belongs to the Special Issue Advances in Metabolomics and Small Molecules Analysis)
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13 pages, 3359 KiB  
Article
Untargeted Lipidomics after D2O Administration Reveals the Turnover Rate of Individual Lipids in Various Organs of Living Organisms
by Yury Kostyukevich, Elena Stekolshikova, Anna Levashova, Anna Kovalenko, Anna Vishnevskaya, Anton Bashilov, Albert Kireev, Boris Tupertsev, Lidiia Rumiantseva, Philipp Khaitovich, Sergey Osipenko and Eugene Nikolaev
Int. J. Mol. Sci. 2023, 24(14), 11725; https://doi.org/10.3390/ijms241411725 - 21 Jul 2023
Cited by 1 | Viewed by 1223
Abstract
The administration of low doses of D2O to living organisms was used for decades for the investigation of metabolic pathways and for the measurement of the turnover rate for specific compounds. Usually, the investigation of the deuterium uptake in lipids is [...] Read more.
The administration of low doses of D2O to living organisms was used for decades for the investigation of metabolic pathways and for the measurement of the turnover rate for specific compounds. Usually, the investigation of the deuterium uptake in lipids is performed by measuring the deuteration level of the palmitic acid residue using GC-MS instruments, and to our knowledge, the application of the modern untargeted LC-MS/MS lipidomics approaches was only reported a few times. Here, we investigated the deuterium uptake for >500 lipids for 13 organs and body liquids of mice (brain, lung, heart, liver, kidney, spleen, plasma, urine, etc.) after 4 days of 100% D2O administration. The maximum deuteration level was observed in the liver, plasma, and lung, while in the brain and heart, the deuteration level was lower. Using MS/MS, we demonstrated the incorporation of deuterium in palmitic and stearic fragments in lipids (PC, PE, TAG, PG, etc.) but not in the corresponding free forms. Our results were analyzed based on the metabolic pathways of lipids. Full article
(This article belongs to the Special Issue Advances in Metabolomics and Small Molecules Analysis)
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