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Quantifying Short-C...
Quantifying Short-Chain Chlorinated Paraffin Congener Groups
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- Yuan, Bo (author)
- Stockholms universitet,Institutionen för miljövetenskap och analytisk kemi
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Bogdal, Christian (author)
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Berger, Urs (author)
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- MacLeod, Matthew (author)
- Stockholms universitet,Institutionen för miljövetenskap och analytisk kemi
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Gebbink, Wouter A. (author)
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- Alsberg, Tomas (author)
- Stockholms universitet,Institutionen för miljövetenskap och analytisk kemi
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- de Wit, Cynthia A. (author)
- Stockholms universitet,Institutionen för miljövetenskap och analytisk kemi
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(creator_code:org_t)
- 2017-08-28
- 2017
- English.
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In: Environmental Science and Technology. - : American Chemical Society (ACS). - 0013-936X .- 1520-5851. ; 51:18, s. 10633-10641
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
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- Accurate quantification of short-chain chlorinated paraffins (SCCPs) poses an exceptional challenge to analytical chemists. SCCPs are complex mixtures of chlorinated alkanes with variable chain length and chlorination level; congeners with a fixed chain length (n) and number of chlorines (m) are referred to as a congener group CnClm Recently, we resolved individual CnClm by mathematically deconvolving soft ionization high-resolution mass spectra of SCCP mixtures. Here we extend the method to quantifying CnClm by introducing CnClm specific response factors (RFs) that are calculated from 17 SCCP chain-length standards with a single carbon chain length and variable chlorination level. The signal pattern of each standard is measured on APCI-QTOF-MS. RFs of each CnClm are obtained by pairwise optimization of the normal distribution's fit to the signal patterns of the 17 chain-length standards. The method was verified by quantifying SCCP technical mixtures and spiked environmental samples with accuracies of 82-123% and 76-109%, respectively. The absolute differences between calculated and manufacturer-reported chlorination degrees were 0.9 to 1.0%Cl for SCCP mixtures of 49-71%Cl. The quantification method has been replicated with ECNI magnetic sector MS and ECNI-Q:Orbitrap-MS. CnClm concentrations determined with the three instruments were highly correlated (R-2 > 0.90) with each other.
Subject headings
- TEKNIK OCH TEKNOLOGIER -- Naturresursteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Environmental Engineering (hsv//eng)
- NATURVETENSKAP -- Geovetenskap och miljövetenskap (hsv//swe)
- NATURAL SCIENCES -- Earth and Related Environmental Sciences (hsv//eng)
Publication and Content Type
- ref (subject category)
- art (subject category)
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