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Record W4224862171 · doi:10.1021/acs.est.1c05543

<i>In Vivo</i> Bioconcentration of 10 Anionic Surfactants in Rainbow Trout Explained by <i>In Vitro</i> Data on Partitioning and S9 Clearance

2022· article· en· W4224862171 on OpenAlexaff
Anton Ribbenstedt, James M. Armitage, Felix Günther, Jon A. Arnot, Steven T. J. Droge, Michael S. McLachlan

Bibliographic record

VenueEnvironmental Science & Technology · 2022
Typearticle
Languageen
FieldEnvironmental Science
TopicPharmaceutical and Antibiotic Environmental Impacts
Canadian institutionsARC Resources (Canada)The Scarborough HospitalUniversity of TorontoASL Environmental Sciences (Canada)
FundersEuropean Chemical Industry Council
KeywordsBioconcentrationBioaccumulationBiotransformationChemistryRainbow troutPartition coefficientIn vivoEnvironmental chemistryToxicokineticsReaction rate constantMembraneIn vitroPulmonary surfactantPersistent organic pollutantChromatographyToxicityBiochemistryKineticsFish <Actinopterygii>PollutantOrganic chemistryBiologyEnzyme

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide Bioconcentration factors (BCFs) in rainbow trout were measured for 10 anionic surfactants with a range of alkyl chain lengths and different polar head groups. The BCFs ranged from 0.04 L kg –1 ww (for C 10 SO 3 ) to 1370 L kg –1 ww (C 16 SO 3 ). There was a strong correlation between the log BCF and log membrane lipid–water distribution ratio ( D MLW, r 2 = 0.96), and biotransformation was identified as the dominant elimination mechanism. The strong positive influence of D MLW on BCF was attributed to two phenomena: (i) increased partitioning from water into the epithelial membrane of the gill, leading to more rapid diffusion across this barrier and more rapid uptake, and (ii) increased sequestration of the surfactant body burden into membranes and other body tissues, resulting in lower freely dissolved concentrations available for biotransformation. Estimated whole-body in vivo biotransformation rate constants k B-BCF are within a factor three of rate constants estimated from S9 in vitro assays for six of the eight test chemicals for which k B-BCF could be determined. A model-based assessment indicated that the hepatic clearance rate of freely dissolved chemicals was similar for the studied surfactants. The dataset will be useful for evaluation of in silico and in vitro methods to assess bioaccumulation.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.019
Threshold uncertainty score0.038

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.001
Bibliometrics0.0000.000
Science and technology studies0.0000.001
Scholarly communication0.0010.000
Open science0.0000.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0030.001

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.014
GPT teacher head0.257
Teacher spread0.243 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations13
Published2022
Admission routes1
Has abstractyes

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