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Record W3023895321 · doi:10.1002/mrc.5036

Lead‐207 NMR spectroscopy at 1.4 T: Application of benchtop instrumentation to a challenging <i>I</i> = ½ nucleus

2020· article· en· W3023895321 on OpenAlexafffund
Guy M. Bernard, Vladimir K. Michaelis

Bibliographic record

VenueMagnetic Resonance in Chemistry · 2020
Typearticle
Languageen
FieldChemistry
TopicAdvanced NMR Techniques and Applications
Canadian institutionsAlberta Glycomics CentreUniversity of Alberta
FundersNatural Sciences and Engineering Research Council of CanadaAlberta InnovatesGovernment of Alberta
KeywordsChemistryLead chlorideNMR spectra databaseAnisotropySpectral lineAnalytical Chemistry (journal)Nuclear magnetic resonance spectroscopySolid-state nuclear magnetic resonanceChloridePerovskite (structure)SolventNuclear magnetic resonanceCrystallographyStereochemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract The practicality of obtaining liquid‐ and solid‐state 207Pb nuclear magnetic resonance (NMR) spectra with a low permanent‐field magnet is investigated. Obtaining 207Pb NMR spectra of salts in solution is shown to be viable for samples as dilute as 0.05 M. The concentration dependence of the 207Pb chemical shifts for lead nitrate was investigated; the results are comparable with those obtained with high‐field instruments. Likewise, the isotope effect of substituting D2O for H2O as the solvent was investigated and found to be comparable with those reported previously. Obtaining solid‐state 207Pb NMR spectra is challenging, but we demonstrate the ability to obtain such spectra for three unique solid samples. An axially symmetric 207Pb powder pattern for lead nitrate and the powder pattern expected for lead chloride reveal linewidths dominated by shielding anisotropy, while 207Pb‐35/37Cl J‐coupling dominates in the methylammonium lead chloride perovskite material. Finally, recent innovations and the future potential of the instruments are considered.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation 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 score0.003
Threshold uncertainty score0.009

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0010.001
Scholarly communication0.0010.000
Open science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0030.001

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 head0.012
GPT teacher head0.265
Teacher spread0.253 · 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 source (direct Gemma or distilled Codex), 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

Citations5
Published2020
Admission routes2
Has abstractyes

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