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Record W4403030858 · doi:10.1021/acs.analchem.4c03200

Steady-State Free Precession (SSFP) NMR Spectroscopy for Sensitivity Enhancement in Complex Environmental and Biological Samples Using Both High-Field and Low-Field NMR

2024· article· en· W4403030858 on OpenAlexafffund
Katelyn Downey, Peter M. Costa, Kiera Ronda, Flávio Vinícius Crizóstomo Kock, Daniel H. Lysak, William W. Wolff, Katrina Steiner, Jacob Pellizzari, Agnes Haber, Colin Elliott, Venita Busse, Falko Busse, Benjamin Goerling, Tiago Bueno Moraes, Luiz Alberto Colnago, André J. Simpson

Bibliographic record

VenueAnalytical Chemistry · 2024
Typearticle
Languageen
FieldPhysics and Astronomy
TopicNMR spectroscopy and applications
Canadian institutionsThe Scarborough HospitalUniversity of Toronto
FundersFonds de recherche du Québec – Nature et technologiesOntario Ministry of Research and InnovationNatural Sciences and Engineering Research Council of CanadaKrembil FoundationCanada Foundation for InnovationGovernment of OntarioCentre for Environmental Research in the Anthropocene, University of Toronto Scarborough
KeywordsChemistrySteady-state free precession imagingField (mathematics)Nuclear magnetic resonance spectroscopySpectroscopyNuclear magnetic resonanceAnalytical Chemistry (journal)Sensitivity (control systems)Environmental chemistryStereochemistryPhysicsQuantum mechanics

Abstract

fetched live from OpenAlex

Nuclear magnetic resonance (NMR) spectroscopy is a valuable and complementary tool in environmental research, but it is underutilized due to the cost, size, and maintenance requirements of standard “high-field” NMR spectrometers. “Low-field” NMR spectrometers are a financially and physically accessible alternative, but their lower sensitivity and increased spectral overlap limit the analysis of heterogeneous environmental/biological media, especially with fast-relaxing samples that produce broad, low-intensity spectra. This study therefore investigates the potential of the steady-state free precession (SSFP) experiment to enhance signal-to-noise ratios (SNRs) of fast-relaxing, complex samples at both high- and low-field. SSFP works by obtaining steady-state transverse signal using a train of equally spaced radiofrequency pulses with the same flip angle and a time between pulses less than the transverse relaxation time, allowing for thousands of scans to be summed in a short time period. Here, 13 C-SSFP is applied to samples of varying complexity (egg white, dissolved organic matter, and crude oil) at low-field and at high-field for testing and comparison. The potential of in vivo SSFP NMR is additionally investigated by applying 31 P-SSFP to live Eisenia fetida at high-field. In some samples, SSFP increased 13 C SNR by over 2000% at both high-field and low-field compared to standard 13 C NMR and enabled detection of peaks that were not observable by standard 13 C NMR. Ultimately, SSFP holds great potential for improving analysis of fast-relaxing, complex samples, which could in turn make low-field NMR spectroscopy a more effective tool not only in environmental/biological research but also in numerous other disciplines.

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 score0.040
Threshold uncertainty score0.579

Codex and Gemma teacher scores by category

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

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 head0.021
GPT teacher head0.329
Teacher spread0.308 · 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

Citations8
Published2024
Admission routes2
Has abstractyes

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