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Frontiers in molecular biosciences2022; 9; 829511; doi: 10.3389/fmolb.2022.829511

Profiling Urinary Sulfate Metabolites With Mass Spectrometry.

Abstract: The study of urinary phase II sulfate metabolites is central to understanding the role and fate of endogenous and exogenous compounds in biological systems. This study describes a new workflow for the untargeted metabolic profiling of sulfated metabolites in a urine matrix. Analysis was performed using ultra-high-performance liquid chromatography-high resolution tandem mass spectrometry (UHPLC-HRMS/MS) with data dependent acquisition (DDA) coupled to an automated script-based data processing pipeline and differential metabolite level analysis. Sulfates were identified through -means clustering analysis of sulfate ester derived MS/MS fragmentation intensities. The utility of the method was highlighted in two applications. Firstly, the urinary metabolome of a thoroughbred horse was examined before and after administration of the anabolic androgenic steroid (AAS) testosterone propionate. The analysis detected elevated levels of ten sulfated steroid metabolites, three of which were identified and confirmed by comparison with synthesised reference materials. This included 5α-androstane-3β,17α-diol 3-sulfate, a previously unreported equine metabolite of testosterone propionate. Secondly, the hydrolytic activity of four sulfatase enzymes on pooled human urine was examined. This revealed that arylsulfatases (PaS) enzymes possessed higher selectivity for the hydrolysis of sulfated metabolites than the commercially available arylsulfatase (HpS). This novel method provides a rapid tool for the systematic, untargeted metabolic profiling of sulfated metabolites in a urinary matrix.
Copyright © 2022 Fitzgerald, Hedman, Uduwela, Paszerbovics, Carroll, Neeman, Cawley, Brooker and McLeod.
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Publication Date: 2022-02-23 PubMed ID: 35281273PubMed Central: PMC8906285DOI: 10.3389/fmolb.2022.829511Google Scholar: Lookup
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Summary

This research summary has been generated with artificial intelligence and may contain errors and omissions. Refer to the original study to confirm details provided. Submit correction.

This research explores a new process for the detailed study of sulfate metabolites in urine. This method uses high-tech chromatography and mass spectrometry to identify these substances and their quantities, which can ultimately help in understanding the behavior of natural and synthetic compounds in the body. Two practical applications of this process include monitoring the use of a performance-enhancing drug in horses by uniquely identifying sulfate substances in their urine and investigating the metabolic activity of specific enzymes in human urine.

Objective of the Research

  • The main goal of the research is to illustrate a new method for the unspecific profiling of sulfated metabolites in a urine sample.
  • The researchers aim to demonstrate the utility of their new method in real-world applications.

Methodology

  • The analysis involved ultra-high-performance liquid chromatography, a technique that separates compounds from a liquid mixture, and high resolution tandem mass spectrometry (UHPLC-HRMS/MS), which helps identify and quantify the substances in the mixture.
  • The data created from the mass spectrometer was processed using an automated script, allowing systematic comparison of the metabolite levels.
  • Sulfate substances were identified with the help of k-means clustering analysis of derived fragmentation intensities.

Applications of the Method

  • The first application was the examination of urine from a racehorse before and after administration of testosterone propionate, an anabolic androgenic steroid (AAS). The resulting analysis detected increased levels of ten sulfated steroid metabolites, three of which were positively identified by comparing with synthesized reference substances.
  • The method also proved effective in discerning a previously unknown equine metabolite of the drug.
  • The second application involved testing the hydrolytic activity, or the chemical breakdown due to reaction with water, of four sulfatase enzymes (PA and HpS) in pooled human urine. The PA enzymes showed a higher selectivity for the hydrolysis of sulfated metabolites than the HpS enzymes.

Conclusions

  • This novel method provides a rapid and efficient tool for the systematic, untargeted metabolic profiling of sulfated metabolites in a urine matrix.
  • However, further testing and application will be necessary to explore the full potential and limitations of this process.

Cite This Article

APA
Fitzgerald CCJ, Hedman R, Uduwela DR, Paszerbovics B, Carroll AJ, Neeman T, Cawley A, Brooker L, McLeod MD. (2022). Profiling Urinary Sulfate Metabolites With Mass Spectrometry. Front Mol Biosci, 9, 829511. https://doi.org/10.3389/fmolb.2022.829511

Publication

Frontiers in molecular biosciences
ISSN: 2296-889X
NlmUniqueID: 101653173
Country: Switzerland
Language: English
Volume: 9
Pages: 829511
PII: 829511

Researcher Affiliations

Fitzgerald, Christopher C J
  • Research School of Chemistry, Australian National University, Acton, ACT, Australia.
Hedman, Rikard
  • Research School of Chemistry, Australian National University, Acton, ACT, Australia.
Uduwela, Dimanthi R
  • Research School of Chemistry, Australian National University, Acton, ACT, Australia.
Paszerbovics, Bettina
  • Research School of Chemistry, Australian National University, Acton, ACT, Australia.
Carroll, Adam J
  • Research School of Chemistry, Australian National University, Acton, ACT, Australia.
Neeman, Teresa
  • Research School of Chemistry, Australian National University, Acton, ACT, Australia.
Cawley, Adam
  • Australian Racing Forensic Laboratory, Racing NSW, Sydney, NSW, Australia.
Brooker, Lance
  • Australian Sports Drug Testing Laboratory, National Measurement Institute, Sydney, NSW, Australia.
McLeod, Malcolm D
  • Research School of Chemistry, Australian National University, Acton, ACT, Australia.

Conflict of Interest Statement

The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.

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