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Metabolites
Special Issues
Metabolic Profiling of Aromatic Compounds
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Metabolic Profiling of Aromatic Compounds

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

Deadline for manuscript submissions: closed (14 December 2023) | Viewed by 10551

Special Issue Editor

Dr. Alisa K. Pautova

E-Mail Website
Guest Editor
Laboratory of Human Metabolism in Critical States, Negovsky Research Institute of Gen-eral Reanimatology, Federal Research and Clinical Center of Intensive Care Medicine and Rehabilitology, Moscow 107031, Russia
Interests: analytical chemistry; mass spectrometry; gas chromatography; metabolom-ics; sample preparation; microextraction techniques; biomarkers; microbial metabolites; central nervous system; cerebrospinal fluid; infection; sepsis

Special Issue Information

Dear Colleagues,

Aromatic compounds are a huge family of organic compounds with a highly stable aromatic system that can also include heteroatoms such as oxygen, nitrogen, or sulfur. The variety of sources of aromatic compounds, such as plants, food, or drugs, leads to different metabolic pathways which could be involved in their biotransformation. Despite the different metabolism in plants and animals, the profiling of aromatic compounds is of great interest in both biological systems.

Metabolic profiling is a powerful tool in understanding normal or pathological processes in the body. Both targeted and untargeted methods using chromatography–mass spectrometry or nuclear magnetic resonance spectroscopy are widely used to identify potentially relevant molecules which could, for example, characterize specific properties of the source, such as antimicrobial properties of the plants, or indicate pathological processes in humans.

The aim of the Special Issue is to accumulate the results of different studies that could reveal the diversity of the properties of aromatic compounds and their role in the metabolic pathways.

Dr. Alisa K. Pautova
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. 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

  • metabolomics
  • targeted and untargeted methods
  • chromatography
  • mass spectrometry
  • natural products
  • polyphenols
  • flavonoids
  • microbiome
  • biomarkers
  • diagnostics

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Published Papers (6 papers)

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Editorial

Jump to: Research, Review

5 pages, 189 KiB  
Editorial
Metabolic Profiling of Aromatic Compounds
by Alisa K. Pautova
Metabolites 2024, 14(2), 107; https://doi.org/10.3390/metabo14020107 - 5 Feb 2024
Cited by 1 | Viewed by 1375
Abstract
Metabolic profiling is a powerful modern tool in searching for novel biomarkers and indicators of normal or pathological processes in the body [...] Full article
(This article belongs to the Special Issue Metabolic Profiling of Aromatic Compounds)

Research

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13 pages, 1036 KiB  
Article
Blood Serum and Drainage Microbial and Mitochondrial Metabolites in Patients after Surgery for Pancreatic Cancer
by Maria Getsina, Nikolay Tsyba, Petr Polyakov, Natalia Beloborodova and Ekaterina Chernevskaya
Metabolites 2023, 13(12), 1198; https://doi.org/10.3390/metabo13121198 - 15 Dec 2023
Cited by 1 | Viewed by 1576
Abstract
Pancreatic cancer (PC) has the highest mortality rate of all major cancers in the world despite improvements in clinical care and an understanding of the biology of pancreatic cancer. A study of 64 patients with verified pancreatic cancer who underwent surgery was included. [...] Read more.
Pancreatic cancer (PC) has the highest mortality rate of all major cancers in the world despite improvements in clinical care and an understanding of the biology of pancreatic cancer. A study of 64 patients with verified pancreatic cancer who underwent surgery was included. Sampling was carried out at three points: before surgery and on days 1–3 after surgery and 5–7 days after surgery. Drainage fluid collection was taken from the drains installed intraoperatively one day after surgery. Tyrosine and phenylalanine metabolites and two mitochondrial metabolites, namely succinic and fumaric acids, were identified and quantified by GC-MS in the serum of healthy donors and patients. Differences in the metabolomic profile were found between the patients and healthy people. A statistically significant decrease in the level of p-hydroxyphenyllactic acid (p-HPhLA), the amount of sum 3 sepsis-associated metabolites (Σ 3AMM), as well as fumaric and succinic acids in patients was observed. It was also noted that p-hydroxyphenyllactic acid in the preoperative period may be considered as a predictor of complications and longer postoperative recovery. Full article
(This article belongs to the Special Issue Metabolic Profiling of Aromatic Compounds)
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15 pages, 2695 KiB  
Article
Analysis of 4-Hydroxyphenyllactic Acid and Other Diagnostically Important Metabolites of α-Amino Acids in Human Blood Serum Using a Validated and Sensitive Ultra-High-Pressure Liquid Chromatography-Tandem Mass Spectrometry Method
by Pavel D. Sobolev, Natalia A. Burnakova, Natalia V. Beloborodova, Alexander I. Revelsky and Alisa K. Pautova
Metabolites 2023, 13(11), 1128; https://doi.org/10.3390/metabo13111128 - 3 Nov 2023
Cited by 2 | Viewed by 1614
Abstract
The profile of and dynamic concentration changes in tyrosine, phenylalanine, and tryptophan metabolites in blood are of great interest since they could be considered potential biomarkers of different disorders. Some aromatic metabolites, such as 4-hydroxyphenyllactic, 4-hydroxyphenylacetic, phenyllactic, and 4-hydroxybenzoic acids have previously demonstrated [...] Read more.
The profile of and dynamic concentration changes in tyrosine, phenylalanine, and tryptophan metabolites in blood are of great interest since they could be considered potential biomarkers of different disorders. Some aromatic metabolites, such as 4-hydroxyphenyllactic, 4-hydroxyphenylacetic, phenyllactic, and 4-hydroxybenzoic acids have previously demonstrated their diagnostic significance in critically ill patients and patients with post-COVID-19 syndrome. In this study, a sensitive method, including serum protein precipitation with methanol and ultra-high-pressure liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) detection, was developed and validated for six phenyl- and five indole-containing acids in human serum. The liquid–liquid extraction was also examined, but it demonstrated unsatisfactory results based on analyte recoveries and the matrix effect. However, the recoveries for all analytes reached 100% and matrix effects were not observed using protein precipitation. This made it possible to use deionized water as a blank matrix. The lower limits of quantitation (LLOQs) were from 0.02 to 0.25 μmol/L. The validated method was used for the analysis of serum samples of healthy volunteers (n = 48) to reveal the reference values of the target analytes. The concentrations of the most clinically significant metabolite 4-hydroxyphenyllactic acid, which were revealed using UPLC-MS/MS and a previously developed gas chromatography-mass spectrometry method, were completely comparable. The proposed UPLC-MS/MS protocol can be used in the routine clinical practice of medical centers. Full article
(This article belongs to the Special Issue Metabolic Profiling of Aromatic Compounds)
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Graphical abstract

13 pages, 1293 KiB  
Article
Development and Validation of Sensitive, Fast and Simple LC-MS/MS Method to Investigate the Association between Adrenocortical Steroidogenesis and the High Intensity Exercise in Elite Athletes
by Marina A. Dikunets, Grigory A. Dudko and Edward D. Virus
Metabolites 2023, 13(7), 825; https://doi.org/10.3390/metabo13070825 - 5 Jul 2023
Cited by 1 | Viewed by 1134
Abstract
The very high intensity of exercise accompanied by mental stress triggers adaptive mechanisms associated with adrenocortical steroidogenesis. However, the association between adrenocortical steroidogenesis and the high intensity of exercise in elite athletes is poorly studied. A significant obstacle to solving this complex task [...] Read more.
The very high intensity of exercise accompanied by mental stress triggers adaptive mechanisms associated with adrenocortical steroidogenesis. However, the association between adrenocortical steroidogenesis and the high intensity of exercise in elite athletes is poorly studied. A significant obstacle to solving this complex task is the wide range (4–5 orders) of steroid concentrations in serum and limitations related to the amount of biological samples taken from professional athletes. To solve this task, we have developed and validated a non-trivial approach for targeted serum metabolic profiling based on the use of LC-MS/MS with dual-polarity electrospray ionization. The developed method based on the proposed approach allows for the quantitative determination of 14 stress resistance biomarkers in elite athletes using a small amount of specimen within 8.5 min. Full article
(This article belongs to the Special Issue Metabolic Profiling of Aromatic Compounds)
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13 pages, 1055 KiB  
Article
Non-Invasive Lung Cancer Diagnostics through Metabolites in Exhaled Breath: Influence of the Disease Variability and Comorbidities
by Azamat Z. Temerdashev, Elina M. Gashimova, Vladimir A. Porkhanov, Igor S. Polyakov, Dmitry V. Perunov and Ekaterina V. Dmitrieva
Metabolites 2023, 13(2), 203; https://doi.org/10.3390/metabo13020203 - 30 Jan 2023
Cited by 11 | Viewed by 2301
Abstract
Non-invasive, simple, and fast tests for lung cancer diagnostics are one of the urgent needs for clinical practice. The work describes the results of exhaled breath analysis of 112 lung cancer patients and 120 healthy individuals using gas chromatography-mass spectrometry (GC-MS). Volatile organic [...] Read more.
Non-invasive, simple, and fast tests for lung cancer diagnostics are one of the urgent needs for clinical practice. The work describes the results of exhaled breath analysis of 112 lung cancer patients and 120 healthy individuals using gas chromatography-mass spectrometry (GC-MS). Volatile organic compound (VOC) peak areas and their ratios were considered for data analysis. VOC profiles of patients with various histological types, tumor localization, TNM stage, and treatment status were considered. The effect of non-pulmonary comorbidities (chronic heart failure, hypertension, anemia, acute cerebrovascular accident, obesity, diabetes) on exhaled breath composition of lung cancer patients was studied for the first time. Significant correlations between some VOC peak areas and their ratios and these factors were found. Diagnostic models were created using gradient boosted decision trees (GBDT) and artificial neural network (ANN). The performance of developed models was compared. ANN model was the most accurate: 82–88% sensitivity and 80–86% specificity on the test data. Full article
(This article belongs to the Special Issue Metabolic Profiling of Aromatic Compounds)
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Review

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15 pages, 1616 KiB  
Review
The Expectation and Reality of the HepG2 Core Metabolic Profile
by Olga I. Kiseleva, Ilya Y. Kurbatov, Viktoriia A. Arzumanian, Ekaterina V. Ilgisonis, Svyatoslav V. Zakharov and Ekaterina V. Poverennaya
Metabolites 2023, 13(8), 908; https://doi.org/10.3390/metabo13080908 - 3 Aug 2023
Cited by 2 | Viewed by 1582
Abstract
To represent the composition of small molecules circulating in HepG2 cells and the formation of the “core” of characteristic metabolites that often attract researchers’ attention, we conducted a meta-analysis of 56 datasets obtained through metabolomic profiling via mass spectrometry and NMR. We highlighted [...] Read more.
To represent the composition of small molecules circulating in HepG2 cells and the formation of the “core” of characteristic metabolites that often attract researchers’ attention, we conducted a meta-analysis of 56 datasets obtained through metabolomic profiling via mass spectrometry and NMR. We highlighted the 288 most commonly studied compounds of diverse chemical nature and analyzed metabolic processes involving these small molecules. Building a complete map of the metabolome of a cell, which encompasses the diversity of possible impacts on it, is a severe challenge for the scientific community, which is faced not only with natural limitations of experimental technologies, but also with the absence of transparent and widely accepted standards for processing and presenting the obtained metabolomic data. Formulating our research design, we aimed to reveal metabolites crucial to the Hepg2 cell line, regardless of all chemical and/or physical impact factors. Unfortunately, the existing paradigm of data policy leads to a streetlight effect. When analyzing and reporting only target metabolites of interest, the community ignores the changes in the metabolomic landscape that hide many molecular secrets. Full article
(This article belongs to the Special Issue Metabolic Profiling of Aromatic Compounds)
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