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Record W3217563761 · doi:10.1021/acs.analchem.1c02549

μATR-FTIR Spectral Libraries of Plastic Particles (FLOPP and FLOPP-e) for the Analysis of Microplastics

2021· article· en· W3217563761 on OpenAlex
Hannah De Frond, R. Rubinovitz, Chelsea M. Rochman

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueAnalytical Chemistry · 2021
Typearticle
Languageen
FieldEnvironmental Science
TopicMicroplastics and Plastic Pollution
Canadian institutionsUniversity of Toronto
FundersSouthern California Coastal Water Research Project
KeywordsMicroplasticsFourier transform infrared spectroscopyPrincipal component analysisPolymerChemistryParticle (ecology)Analytical Chemistry (journal)Chemical engineeringEnvironmental chemistryComputer scienceOrganic chemistryGeologyArtificial intelligence

Abstract

fetched live from OpenAlex

Raman spectral libraries specific to microplastics demonstrated improved spectral matching results when weathered plastics and a variety of particle colors and morphologies were included. Here, we explore if this is true for Fourier transform infrared (FTIR) spectroscopy as well. We present two novel databases specific to microplastics using attenuated total reflection (μATR-FTIR): (1) an FTIR library of plastic particles (FLOPP), containing 186 spectra from common plastic items, across 14 polymer types and (2) an FTIR library of plastic particles sourced from the environment (FLOPP-e), containing 195 spectra across 15 polymer types. Both libraries include particles from a variety of sources, morphologies, and colors. We demonstrate the applicability of these libraries for microplastics research by comparing spectral match results from two microplastic datasets. For this, we use different combinations of libraries including: commercially available reference libraries, an open-access polymer library, and FLOPP and FLOPP-e. Among tests, the greatest mean HQI result was achieved when the greatest number of libraries was included. This work demonstrates that spectral libraries specific to plastic particles found in the environment improve the accuracy of spectral matching and are best used in combination with commercial libraries containing chemical components that are commonly found within plastics and other anthropogenic particles. Multivariate principal component analyses of FLOPP and FLOPP-e spectra confirmed differences among polymer types and higher variation in principal component scores among weathered particles, but no patterns were observed among particle colors or morphologies. These results demonstrate that ATR-FTIR analyses are sensitive to weathering of plastics but not to particle color and morphology.

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.

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
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 score0.242
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

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

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 head0.010
GPT teacher head0.211
Teacher spread0.201 · 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