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Discovery of safety biomarkers for realgar in rat urine using UFLC-IT-TOF/MS and 1 H NMR based metabolomics

As an arsenical, realgar (As 4 S 4 ) is known as a poison and paradoxically as a therapeutic agent. However, a complete understanding of the precise biochemical alterations accompanying the toxicity and therapy effects of realgar is lacking. Using a combined ultrafast liquid chromatography (UFLC) co... Full description

Journal Title: Analytical and Bioanalytical Chemistry 2013, Vol.405(14), pp.4811-4822
Main Author: Huang, Yin
Other Authors: Tian, Yuan , Li, Geng , Li, Yuanyuan , Yin, Xinjuan , Peng, Can , Xu, Fengguo , Zhang, Zunjian
Format: Electronic Article Electronic Article
Language: English
Subjects:
NMR
ID: ISSN: 1618-2642 ; E-ISSN: 1618-2650 ; DOI: 10.1007/s00216-013-6842-0
Link: http://dx.doi.org/10.1007/s00216-013-6842-0
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recordid: springer_jour10.1007/s00216-013-6842-0
title: Discovery of safety biomarkers for realgar in rat urine using UFLC-IT-TOF/MS and 1 H NMR based metabolomics
format: Article
creator:
  • Huang, Yin
  • Tian, Yuan
  • Li, Geng
  • Li, Yuanyuan
  • Yin, Xinjuan
  • Peng, Can
  • Xu, Fengguo
  • Zhang, Zunjian
subjects:
  • Realgar
  • Metabolomics
  • Liquid chromatography–mass spectrometry
  • NMR
  • Urine
  • Biomarker
ispartof: Analytical and Bioanalytical Chemistry, 2013, Vol.405(14), pp.4811-4822
description: As an arsenical, realgar (As 4 S 4 ) is known as a poison and paradoxically as a therapeutic agent. However, a complete understanding of the precise biochemical alterations accompanying the toxicity and therapy effects of realgar is lacking. Using a combined ultrafast liquid chromatography (UFLC) coupled with ion trap time-of-flight mass spectrometry (IT-TOF/MS) and 1 H NMR spectroscopy based metabolomics approach, we were able to delineate significantly altered metabolites in the urine samples of realgar-treated rats. The platform stability of the liquid chromatography LC/MS and NMR techniques was systematically investigated, and the data processing method was carefully optimized. Our results indicate significant perturbations in amino acid metabolism, citric acid cycle, choline metabolism, and porphyrin metabolism. Thirty-six metabolites were proposed as potential safety biomarkers related to disturbances caused by realgar, and glycine and serine are expected to serve as the central contacts in the metabolic pathways related to realgar-induced disturbance. The LC/MS and NMR based metabolomics approach established provided a systematic and holistic view of the biochemical effects of realgar on rats, and might be employed to investigate other drugs or xenobiotics in the future. Figure Pipeline of safety biomarkers discovery for realgar in rat urine by metabolomics
language: eng
source:
identifier: ISSN: 1618-2642 ; E-ISSN: 1618-2650 ; DOI: 10.1007/s00216-013-6842-0
fulltext: fulltext
issn:
  • 1618-2650
  • 16182650
  • 1618-2642
  • 16182642
url: Link


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titleDiscovery of safety biomarkers for realgar in rat urine using UFLC-IT-TOF/MS and 1 H NMR based metabolomics
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subjectRealgar ; Metabolomics ; Liquid chromatography–mass spectrometry ; NMR ; Urine ; Biomarker
descriptionAs an arsenical, realgar (As 4 S 4 ) is known as a poison and paradoxically as a therapeutic agent. However, a complete understanding of the precise biochemical alterations accompanying the toxicity and therapy effects of realgar is lacking. Using a combined ultrafast liquid chromatography (UFLC) coupled with ion trap time-of-flight mass spectrometry (IT-TOF/MS) and 1 H NMR spectroscopy based metabolomics approach, we were able to delineate significantly altered metabolites in the urine samples of realgar-treated rats. The platform stability of the liquid chromatography LC/MS and NMR techniques was systematically investigated, and the data processing method was carefully optimized. Our results indicate significant perturbations in amino acid metabolism, citric acid cycle, choline metabolism, and porphyrin metabolism. Thirty-six metabolites were proposed as potential safety biomarkers related to disturbances caused by realgar, and glycine and serine are expected to serve as the central contacts in the metabolic pathways related to realgar-induced disturbance. The LC/MS and NMR based metabolomics approach established provided a systematic and holistic view of the biochemical effects of realgar on rats, and might be employed to investigate other drugs or xenobiotics in the future. Figure Pipeline of safety biomarkers discovery for realgar in rat urine by metabolomics
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abstractAs an arsenical, realgar (As 4 S 4 ) is known as a poison and paradoxically as a therapeutic agent. However, a complete understanding of the precise biochemical alterations accompanying the toxicity and therapy effects of realgar is lacking. Using a combined ultrafast liquid chromatography (UFLC) coupled with ion trap time-of-flight mass spectrometry (IT-TOF/MS) and 1 H NMR spectroscopy based metabolomics approach, we were able to delineate significantly altered metabolites in the urine samples of realgar-treated rats. The platform stability of the liquid chromatography LC/MS and NMR techniques was systematically investigated, and the data processing method was carefully optimized. Our results indicate significant perturbations in amino acid metabolism, citric acid cycle, choline metabolism, and porphyrin metabolism. Thirty-six metabolites were proposed as potential safety biomarkers related to disturbances caused by realgar, and glycine and serine are expected to serve as the central contacts in the metabolic pathways related to realgar-induced disturbance. The LC/MS and NMR based metabolomics approach established provided a systematic and holistic view of the biochemical effects of realgar on rats, and might be employed to investigate other drugs or xenobiotics in the future. Figure Pipeline of safety biomarkers discovery for realgar in rat urine by metabolomics
copBerlin/Heidelberg
pubSpringer-Verlag
doi10.1007/s00216-013-6842-0
pages4811-4822
date2013-05