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Record W2903014297 · doi:10.1002/cjce.23409

Experimental Methods in Chemical Engineering: Nuclear Magnetic Resonance

2018· article· en· W2903014297 on OpenAlexaffvenueabout
Marco G. Rigamonti, Francesco G. Gatti, Gregory S. Patience

Bibliographic record

VenueThe Canadian Journal of Chemical Engineering · 2018
Typearticle
Languageen
FieldPhysics and Astronomy
TopicNMR spectroscopy and applications
Canadian institutionsPolytechnique Montréal
Fundersnot available
KeywordsNuclear magnetic resonance spectroscopyNuclear reaction analysisSpectroscopyDensity functional theoryMaterials scienceNMR spectra databasePolymerNuclear magnetic resonanceAnalytical Chemistry (journal)ChemistryChemical physicsSpectral lineComputational chemistryPhysicsOrganic chemistryIon

Abstract

fetched live from OpenAlex

Abstract Nuclear magnetic resonance (NMR) spectroscopy measures free induction decay (FID) signals that atomic nuclei emit when excited by a radio‐frequency (RF) pulse in a static magnetic field. The Fourier‐transformed spectrum shows chemically shifted peaks, area intensity, and multiplicity, which give information on molecular structure, bonds, functional groups, and purity. Web of Science Core Collection indexed 46 000 articles that mentioned NMR in 2016 and 2017. The VosViewer software grouped the research into 5 clusters: solid‐state analysis including metabolomics; biology with in‐vitro and antibacterial applications; coupled analytical techniques to identify crystal structure for which x‐ray diffraction and density functional theory figure prominently; liquid‐state analysis for polymers, aqueous solutions, nano‐particles, and drug delivery; and chemosensors. Researchers publishing in The Canadian Journal of Chemical Engineering focus most on: liquid‐state NMR to characterize polymers, branching, and monomers; quantify conformation, reaction kinetics, and equilibrium; and assess surfactant stability, ionic liquids, and composition. We introduce the theory behind NMR spectroscopy and common applications in chemistry and material science. We highlight the strength and limitations, sources of error, and the detection limit for this analytical technique, as manufacturers develop massive magnets for high‐resolution spectra (1 GHz), and benchtop NMR for real‐time, in‐situ analysis (80 MHz).

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 score0.015
Threshold uncertainty score0.380

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 head0.008
GPT teacher head0.285
Teacher spread0.278 · 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

Citations11
Published2018
Admission routes3
Has abstractyes

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