Metabolite Identification via Liquid Chromatography-Mass Spectrometry

A special issue of Separations (ISSN 2297-8739). This special issue belongs to the section "Bioanalysis/Clinical Analysis".

Deadline for manuscript submissions: closed (31 August 2023) | Viewed by 5172

Special Issue Editors


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1. REQUIMTE/LAQV—Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto, Porto, Portugal
2. REQUIMTE, LAQV, ICBAS, School of Medicine and Biomedical Sciences, University of Porto, Porto, Portugal
Interests: analytical chemistry; phytochemical analysis; metabolomics; liquid chromatography; mass spectrometry; animal nutrition, method development; sample preparation
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Guest Editor
REQUIMTE/LAQV-Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto, 4169-007 Porto, Portugal
Interests: analytical chemistry; bioanalytical chemistry; chromatography; mass spectrometry; food chemistry; food analysis; food control; food quality
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Metabolomic profiling has been a research topic of growing interest in the last decade, aiming at both targeted and untargeted analysis of small molecules resulting from biological processes in a diverse range of natural and biological matrices. The transversality of metabolomics to different scientific areas, such as human health, veterinary sciences, and phytochemical analysis, among others, has motivated important advances on the characterization of several metabolic pathways and their associations with, e.g., health and nutritional conditions, agronomic conditions, response to therapeutics, and food quality. Moreover, the strong improvement in analytical cutting-edge measurement technologies, coupled to new separation and sample preparation methods, generates renewed interest in metabolomics.  

In this context, liquid chromatography coupled to mass spectrometry (LC–MS) has a significant relevance in metabolomics, connecting the separation of complex samples and the identification of their metabolites.

This Special Issue aims to put together original research papers and review articles showing the recent advances in the identification of metabolites though LC–MS in diverse scientific fields. We invite studies on analytical method development, sample preparation for LC–MS analysis, mass data treatment and interpretation, and technological advances in this area, among other related studies.

Dr. Inês Maria Valente
Dr. Luis F. Guido
Guest Editors

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Keywords

  • metabolomics
  • liquid chromatography
  • mass spectrometry
  • metabolite identification
  • metabolic profiling
  • biomarkers
  • sample preparation
  • mass data analysis

Published Papers (2 papers)

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Research

17 pages, 3885 KiB  
Article
Development and Validation of Liquid Chromatography-Tandem Mass Spectrometry Method for Simultaneous Determination of Tramadol and Its Phase I and II Metabolites in Human Urine
by Varsha Chauhan, Manu Sharma, Abhishek Tiwari, Varsha Tiwari, Manish Kumar, Tarun Virmani, Girish Kumar, Najla Altwaijry, Omkulthom Al kamaly, Asmaa Saleh and Abdulsalam Alhalmi
Separations 2023, 10(6), 365; https://doi.org/10.3390/separations10060365 - 19 Jun 2023
Viewed by 1472
Abstract
Tramadol (TD) has been prescribed frequently in many countries for more than 40 years, but there is a risk of its misuse and trafficking. As a result, drug analysis has numerous legal and socially relevant implications, making it an essential part of modern [...] Read more.
Tramadol (TD) has been prescribed frequently in many countries for more than 40 years, but there is a risk of its misuse and trafficking. As a result, drug analysis has numerous legal and socially relevant implications, making it an essential part of modern analytical chemistry. Thus, the method for the detection of TD and its phase I and phase II metabolites in human urine has been developed and validated using a rapid and efficient approach combining liquid chromatography-tandem mass spectrometry (LC-MS/MS) with electrospray ionization. The sample preparation was best performed using dispersive liquid–liquid microextraction. Analysis was performed using an HyPRITY Cl8 column, and isocratic elution with methanol: water (35:65) with 0.2% formic acid was used. TD and its metabolites were detected at 264.2 (TD/M0) with a base peak at 58.2, 250.3758 (M1), 250.3124 (M2), 236.3976 (M3), 222.5361 (M4), and 236.4475 (M5) m/z peaks. TD showed linearity between 0.1 and 160 ng/mL (R2 = 0.9981). The accuracy ranged from 95.56 to 100.21% for the three concentration levels, while the between- and within-day RSD ranged from 1.58 to 3.92%. The absolute TD recovery was 96.29, 96.91, and 94.31% for the concentrations of 5, 50, and 150 ng/mL, respectively. TD’s phase I metabolites, M1–5 along with nine phase II metabolites, such as sulfo- and glucurono-conjugated metabolites, oxidative TD derivatives, and sulfo-conjugated metabolites were also identified in the urine samples. The pharmacokinetics and metabolism data given provide information for the design of possible future research disorders, evaluating drug mechanism and neurotoxicity and for the effective application screening of TD. Full article
(This article belongs to the Special Issue Metabolite Identification via Liquid Chromatography-Mass Spectrometry)
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20 pages, 3735 KiB  
Article
Zostera marina L.: Supercritical CO2-Extraction and Mass Spectrometric Characterization of Chemical Constituents Recovered from Seagrass
by Mayya P. Razgonova, Lyudmila A. Tekutyeva, Anna B. Podvolotskaya, Varvara D. Stepochkina, Alexander M. Zakharenko and Kirill Golokhvast
Separations 2022, 9(7), 182; https://doi.org/10.3390/separations9070182 - 19 Jul 2022
Cited by 16 | Viewed by 3078
Abstract
Three types of Zostera marina L. collection were extracted using the supercritical CO2-extraction method. For the purposes of supercritical CO2-extraction, old seagrass ejection on the surf edge, fresh seagrass ejection on the surf edge and seagrass collected in water [...] Read more.
Three types of Zostera marina L. collection were extracted using the supercritical CO2-extraction method. For the purposes of supercritical CO2-extraction, old seagrass ejection on the surf edge, fresh seagrass ejection on the surf edge and seagrass collected in water were used. Several experimental conditions were investigated in the pressure range 50–350 bar, with the used volume of co-solvent ethanol in the amount of 1% in the liquid phase at a temperature in the range of 31–70 °C. The most effective extraction conditions are: pressure 250 Bar and temperature 60 °C for Z. marina collected in sea water. Z. marina contain various phenolic compounds and sulfated polyphenols with valuable biological activity. Tandem mass-spectrometry (HPLC-ESI–ion trap) was applied to detect target analytes. 77 different biologically active components have been identified in Z. marina supercritical CO2-extracts. 38 polyphenols were identified for the first time in Z. marina. Full article
(This article belongs to the Special Issue Metabolite Identification via Liquid Chromatography-Mass Spectrometry)
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