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Record W4283074903 · doi:10.26434/chemrxiv-2022-s2dcb

Polar organic chemical integrative sampler (POCIS) allows compound specific isotope analysis of substituted chlorobenzenes at trace levels

2022· preprint· en· W4283074903 on OpenAlexafffund
Shamsunnahar Suchana, Sávia Gavazza, Natanna Melo, Elizabeth A. Edwards, Line Lomheim, E. Erin Mack, Elodie Passeport

Bibliographic record

VenueChemRxiv · 2022
Typepreprint
Languageen
FieldEnvironmental Science
TopicIsotope Analysis in Ecology
Canadian institutionsUniversity of Toronto
FundersHelmholtz-Zentrum für UmweltforschungUniversity of Toronto
KeywordsChemistryEnvironmental chemistryChlorobenzeneIsotope analysisAdsorptionFractionationChromatographyOrganic chemistry

Abstract

fetched live from OpenAlex

Compound specific isotope analysis (CSIA) is an established tool to demonstrate in situ degradation of traditional groundwater contaminants at heavily contaminated sites, usually at mg/L range aqueous concentrations. Currently, an efficient preconcentration method is lacking to expand CSIA to low aqueous concentration environmental samples. This work demonstrated the compatibility of polar organic chemical integrative sampler (POCIS) with CSIA of C, H, and N isotopes for four NH2- and NO¬2-substituted chlorobenzenes at low μg/L. Diffusion and sorption showed insignificant carbon isotope fractionation (<0.7‰) in laboratory experiment, except for a reproducible shift of 1.6‰ for 3,4-dichloronitrobenzene. A similar constant reproducible shift of 0.8-2‰ was evident for N-CSIA. Whereas, the compatibility of POCIS for H-CSIA seems to be analyte specific possibly reflecting the adsorption mechanism to POCIS by H-bonding. Performance of the POCIS-CSIA method was evaluated in a pilot constructed wetland where comparable C- and N-CSIA results were obtained from grab sampling and POCIS. This work opens the potential of CSIA application to the low concentration polar emerging contaminants in the environment, such as pesticides, pharmaceuticals, and flame-retardants.

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)0.000
metaresearch head score (Gemma)0.000
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: Methods · Consensus signal: none
Teacher disagreement score0.002
Threshold uncertainty score0.006

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.001
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0020.001

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 head0.028
GPT teacher head0.259
Teacher spread0.231 · 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
GenreMethods

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

Citations1
Published2022
Admission routes2
Has abstractyes

Explore more

Same venueChemRxiv→Same topicIsotope Analysis in Ecology→French-language works237,207→