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dc.contributor.authorLaue, Heike-
dc.contributor.authorGfeller, Hans-
dc.contributor.authorJenner, Karen J.-
dc.contributor.authorNichols, John W.-
dc.contributor.authorKern, Susanne-
dc.contributor.authorNatsch, Andreas-
dc.date.accessioned2022-01-21T16:22:59Z-
dc.date.available2022-01-21T16:22:59Z-
dc.date.issued2014-08-19-
dc.identifier.issn0013-936Xde_CH
dc.identifier.issn1520-5851de_CH
dc.identifier.urihttps://digitalcollection.zhaw.ch/handle/11475/23986-
dc.description.abstractBioaccumulation in aquatic species is a critical end point in the regulatory assessment of chemicals. Few measured fish bioconcentration factors (BCFs) are available for fragrance ingredients. Thus, predictive models are often used to estimate their BCFs. Because biotransformation can reduce chemical accumulation in fish, models using QSAR-estimated biotransformation rates have been developed. Alternatively, biotransformation can be measured by in vitro methods. In this study, biotransformation rates for nine fragrance ingredients were measured using trout liver S9 fractions and used as inputs to a recently refined in vitro-in vivo extrapolation (IVIVE) model. BCFs predicted by the model were then compared to (i) in vivo BCFs, (ii) BCFs predicted using QSAR-derived biotransformation rates, (iii) BCFs predicted without biotransformation, and (iv) BCFs predicted by a well-known regression model. For fragrance ingredients with relatively low (<4.7) log K(OW) values, all models predicted BCFs below a bioaccumulation threshold of 1000. For chemicals with higher (4.7-5.8) log K(OW) values, the model incorporating measured in vitro biotransformation rates and assuming no correction for potential binding effects on hepatic clearance provided the most accurate predictions of measured BCFs. This study demonstrates the value of integrating measured biotransformation rates for prediction of chemical bioaccumulation in fish.de_CH
dc.language.isoende_CH
dc.publisherAmerican Chemical Societyde_CH
dc.relation.ispartofEnvironmental Science & Technologyde_CH
dc.rightsLicence according to publishing contractde_CH
dc.subjectAnimalde_CH
dc.subjectBiotransformationde_CH
dc.subjectCosmeticde_CH
dc.subjectFishde_CH
dc.subjectIn vitro techniquede_CH
dc.subjectLiverde_CH
dc.subjectOncorhynchus mykissde_CH
dc.subjectWater pollutant, chemicalde_CH
dc.subjectTheoretical modelde_CH
dc.subject.ddc572: Biochemiede_CH
dc.titlePredicting the bioconcentration of fragrance ingredients by rainbow trout using measured rates of in vitro intrinsic clearancede_CH
dc.typeBeitrag in wissenschaftlicher Zeitschriftde_CH
dcterms.typeTextde_CH
zhaw.departementLife Sciences und Facility Managementde_CH
zhaw.organisationalunitInstitut für Chemie und Biotechnologie (ICBT)de_CH
dc.identifier.doi10.1021/es500904hde_CH
dc.identifier.pmid25058173de_CH
zhaw.funding.euNode_CH
zhaw.issue16de_CH
zhaw.originated.zhawNode_CH
zhaw.pages.end9495de_CH
zhaw.pages.start9486de_CH
zhaw.publication.statuspublishedVersionde_CH
zhaw.volume48de_CH
zhaw.publication.reviewPeer review (Publikation)de_CH
zhaw.author.additionalNode_CH
zhaw.display.portraitYesde_CH
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Laue, H., Gfeller, H., Jenner, K. J., Nichols, J. W., Kern, S., & Natsch, A. (2014). Predicting the bioconcentration of fragrance ingredients by rainbow trout using measured rates of in vitro intrinsic clearance. Environmental Science & Technology, 48(16), 9486–9495. https://doi.org/10.1021/es500904h
Laue, H. et al. (2014) ‘Predicting the bioconcentration of fragrance ingredients by rainbow trout using measured rates of in vitro intrinsic clearance’, Environmental Science & Technology, 48(16), pp. 9486–9495. Available at: https://doi.org/10.1021/es500904h.
H. Laue, H. Gfeller, K. J. Jenner, J. W. Nichols, S. Kern, and A. Natsch, “Predicting the bioconcentration of fragrance ingredients by rainbow trout using measured rates of in vitro intrinsic clearance,” Environmental Science & Technology, vol. 48, no. 16, pp. 9486–9495, Aug. 2014, doi: 10.1021/es500904h.
LAUE, Heike, Hans GFELLER, Karen J. JENNER, John W. NICHOLS, Susanne KERN und Andreas NATSCH, 2014. Predicting the bioconcentration of fragrance ingredients by rainbow trout using measured rates of in vitro intrinsic clearance. Environmental Science & Technology. 19 August 2014. Bd. 48, Nr. 16, S. 9486–9495. DOI 10.1021/es500904h
Laue, Heike, Hans Gfeller, Karen J. Jenner, John W. Nichols, Susanne Kern, and Andreas Natsch. 2014. “Predicting the Bioconcentration of Fragrance Ingredients by Rainbow Trout Using Measured Rates of in Vitro Intrinsic Clearance.” Environmental Science & Technology 48 (16): 9486–95. https://doi.org/10.1021/es500904h.
Laue, Heike, et al. “Predicting the Bioconcentration of Fragrance Ingredients by Rainbow Trout Using Measured Rates of in Vitro Intrinsic Clearance.” Environmental Science & Technology, vol. 48, no. 16, Aug. 2014, pp. 9486–95, https://doi.org/10.1021/es500904h.


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