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Record W2521242121 · doi:10.1021/acs.macromol.6b01291

<sup>19</sup>F Double Quantum NMR Spectroscopy: A Tool for Probing Dynamics in Proton-Conducting Fluorinated Polymer Materials

2016· article· en· W2521242121 on OpenAlexafffund
Z. Blossom Yan, Darren H. Brouwer, Gillian R. Goward

Bibliographic record

VenueMacromolecules · 2016
Typearticle
Languageen
FieldChemistry
TopicAdvanced NMR Techniques and Applications
Canadian institutionsRedeemer UniversityMcMaster University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsPolymerChemistrySide chainMolecular dynamicsChemical physicsNuclear magnetic resonance spectroscopyProtonDipoleRelaxation (psychology)Fluorine-19 NMRCarbon-13 NMR satelliteSolid-state nuclear magnetic resonanceSpectroscopyNuclear magnetic resonanceComputational chemistryOrganic chemistryPhysics

Abstract

fetched live from OpenAlex

Solid-state NMR spectroscopy is an important technique for probing the structure and local dynamics of materials at the molecular level. For example, 1 H double quantum (DQ) NMR is a well-established probe of local dynamics. Here, this concept has been extended to characterize fluorinated ionomer materials for the first time. 19 F DQ recoupling NMR experiments are applied to investigate the site-specific local dynamics of the polymer electrolyte material, Nafion 117, under various conditions with respect to temperature and hydration level. The initial rise of the normalized double quantum (nDQ) build-up curves generated from NMR dipolar recoupling experiments is compared as a measure of the motionally averaged 19 F– 19 F dipolar couplings for spectroscopically resolved domains of the polymers. Since the side-chain and backbone fluorines can be distinguished by their chemical shifts, it was possible to demonstrate a difference between the side-chain and backbone local dynamics profiles. The side chain is shown to be more sensitive toward the temperature and relative humidity (%RH) changes, and generally the side chain exhibits greater local dynamics as compared to the hydrophobic backbone, which is consistent with subsegmental motion known as β-relaxation. Elevated temperature and increased relative humidity give rise to increased local dynamics, which is reflected by the slower initial increase of the nDQ build-up curves. This NMR technique has been validated as a comparative analysis tool, suitable for a range of perfluorinated ionomers.

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 score0.020
Threshold uncertainty score0.860

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 head0.023
GPT teacher head0.297
Teacher spread0.274 · 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

Citations9
Published2016
Admission routes2
Has abstractyes

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