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Record W4408059806 · doi:10.1016/j.talanta.2025.127857

Improved 2D 1H–13C NMR permits in vivo analysis of Daphnia magna metabolism without isotopic enrichment

2025· article· en· W4408059806 on OpenAlexafffund
Jonathan Farjon, Katelyn Downey, Kiera Ronda, William Wolff, Katrina Steiner, André J. Simpson

Bibliographic record

VenueTalanta · 2025
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicMetabolomics and Mass Spectrometry Studies
Canadian institutionsThe Scarborough HospitalUniversity of Toronto
FundersCanadian Nautical Research SocietyNatural Sciences and Engineering Research Council of CanadaCentre National de la Recherche Scientifique
KeywordsChemistryDaphnia magnaIn vivoCarbon-13 NMRMetabolismEnvironmental chemistryRadiochemistryChromatographyBiochemistryToxicityOrganic chemistry

Abstract

fetched live from OpenAlex

Daphnia magna are small crustaceans, used commonly in aquatic toxicity due to their sensitivity to pollutants. In vivo NMR provides unique insights into real-time metabolic responses, information needed to understand “why” at the biochemical level, contaminants are toxic. Due to overlap caused by the magnetic susceptibility distortions in 1D 1 H NMR, 2D is required for metabolic fingerprinting in vivo . In particular, 2D 1 H– 13 C NMR offers excellent spectral dispersion but is time-consuming and has intrinsic low sensitivity. As such, to date nearly all studies have used 13 C isotopically enriched D. magna , but this limits studies to lab-raised organisms. Here, in order to assess the feasibility of studying Daphnia at natural abundance, symmetric ASAP HSQC in combination with time-resolved non-uniform sampling (TR-NUS) is explored. The combined approach (TR-NUS ASAP HSQC) improved Signal-to-Noise Ratios (SNRs) up to 3 times versus standard HSQC, while reconstruction of TR-NUS data provided information on a 4 min time scale. In turn, this allowed anoxia (and recovery from anoxia) to be studied for the first time on unlabelled Daphnia using HSQC. TR-NUS ASAP 1 H– 13 C HSQC is a key step towards to investigate environmental adaptability and exposure in living organisms in close to real-time. As the approach does not require isotopic enrichment it affords future possibilities to sample organisms directly from the environment.

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 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)0.000
Version: codex-gemma-dda1882f352aValidation 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 score0.365
Threshold uncertainty score0.628

Codex and Gemma teacher scores by category

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

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 head0.006
GPT teacher head0.256
Teacher spread0.250 · 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 teacher head, 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

Citations0
Published2025
Admission routes2
Has abstractyes

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