TitlePredicting polycyclic aromatic hydrocarbon concentrations in resident aquatic organisms using passive samplers and partial least-squares calibration.
Publication TypeJournal Article
2014
AuthorsForsberg ND, Smith BW, Sower GJ, Anderson KA
JournalEnviron Sci Technol
Volume48
Issue11
Pagination6291-9
Date Published6/2014
ISSN1520-5851

The current work sought to develop predictive models between time-weighted average polycyclic aromatic hydrocarbon (PAH) concentrations in the freely dissolved phase and those present in resident aquatic organisms. We deployed semipermeable membrane passive sampling devices (SPMDs) and collected resident crayfish (Pacifastacus leniusculus) at nine locations within and outside of the Portland Harbor Superfund Mega-site in Portland, OR. Study results show that crayfish and aqueous phase samples collected within the Mega-site had PAH profiles enriched in high molecular weight PAHs and that freely dissolved PAH profiles tended to be more populated by low molecular weight PAHs compared to crayfish tissues. Results also show that of several modeling approaches, a two-factor partial least-squares (PLS) calibration model using detection limit substitution provided the best predictive power for estimating PAH concentrations in crayfish, where the model explained ≥72% of the variation in the data set and provided predictions within ∼3× of measured values. Importantly, PLS calibration provided a means to estimate PAH concentrations in tissues when concentrations were below detection in the freely dissolved phase. The impact of measurements below detection limits is discussed.

10.1021/es5000534
Alternate JournalEnviron. Sci. Technol.
PubMed ID24800862
PubMed Central IDPMC4046869
Grant ListP30 ES000210 / ES / NIEHS NIH HHS / United States
P42 ES016465 / ES / NIEHS NIH HHS / United States
R21 ES020120 / ES / NIEHS NIH HHS / United States
Projects Reference: 
Superfund
LDPE Passive Sampling Devices
Portland Harbor