Exposure marker discovery of di-2(propylheptyl) phthalate using ultra-performance liquid chromatography-mass spectrometry and a rat model

Chia Lung Shih, Jen Yi Hsu, Chien Ping Tien, Yi Ning Chung, Victor G. Zgoda, Pao-Chi Liao

Research output: Contribution to journalArticle

Abstract

Di-(2-propylheptyl) phthalate (DPHP) is a plasticizer and has been suggested to be a subchronic toxicant in rats. DPHP has been approved to be used in food containers and handling by the U.S. Food and Drug Administration. The use of DPHP is still increasing, and the risk of human exposure to DPHP via food may be high. Exposure markers measured in human samples are commonly used to monitor human exposure levels. Ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) and a rat model were used to discover tentative DPHP exposure markers. DPHP and mono-(2-propylheptyl) phthalate (MPHP) were used as the precursors for calculating metabolite candidates using biotransformation mass changes of known enzymatic reactions. A rat model was designed to validate these metabolite candidates as tentative exposure markers. A total of 28 signals show dose–response relationships and these signals contain a few isomers. The chemical structures of 15 tentative exposure marker signals were speculated based on the product ion mass spectra from MS/MS analysis. These 15 signals included 7 chemical structures and some of them may be isomers. The different arrangement of the atoms in space of these isomers should be validated by standard compounds in the future studies. Among the 7 speculated chemical structures, 2 structures were novel tentative DPHP metabolites, and 5 structures have been previously reported in the literature. The results indicate that using UPLC-MS and a rat model can be used to identify tentative toxicant exposure markers.

Original languageEnglish
Pages (from-to)585-594
Number of pages10
JournalJournal of Food and Drug Analysis
Volume27
Issue number2
DOIs
Publication statusPublished - 2019 Apr 1

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ultra-performance liquid chromatography
phthalates
Liquid Chromatography
Mass Spectrometry
animal models
mass spectrometry
chemical structure
isomers
metabolites
toxic substances
Food Packaging
Plasticizers
Food Handling
United States Food and Drug Administration
Biotransformation
plasticizers
bis(2-propylheptyl)phthalate
enzymatic reactions
biotransformation
dose response

All Science Journal Classification (ASJC) codes

  • Food Science
  • Pharmacology

Cite this

Shih, Chia Lung ; Hsu, Jen Yi ; Tien, Chien Ping ; Chung, Yi Ning ; Zgoda, Victor G. ; Liao, Pao-Chi. / Exposure marker discovery of di-2(propylheptyl) phthalate using ultra-performance liquid chromatography-mass spectrometry and a rat model. In: Journal of Food and Drug Analysis. 2019 ; Vol. 27, No. 2. pp. 585-594.
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Exposure marker discovery of di-2(propylheptyl) phthalate using ultra-performance liquid chromatography-mass spectrometry and a rat model. / Shih, Chia Lung; Hsu, Jen Yi; Tien, Chien Ping; Chung, Yi Ning; Zgoda, Victor G.; Liao, Pao-Chi.

In: Journal of Food and Drug Analysis, Vol. 27, No. 2, 01.04.2019, p. 585-594.

Research output: Contribution to journalArticle

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