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Record W2888767132 · doi:10.1002/cphc.201800683

A Quadrupole‐Central‐Transition <sup>59</sup>Co NMR Study of Cobalamins in Solution

2018· article· en· W2888767132 on OpenAlexafffund
Jiahui Shen, Victor V. Terskikh, Gang Wu

Bibliographic record

VenueChemPhysChem · 2018
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicPorphyrin Metabolism and Disorders
Canadian institutionsUniversity of OttawaQueen's University
FundersCanada Foundation for InnovationOntario Innovation Trust
KeywordsQuadrupoleChemistryNuclear magnetic resonance spectroscopyTransition metalCrystallographyPhysical chemistryPhysicsAtomic physicsStereochemistryOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

Abstract We report the first observation of quadrupole‐central‐transition (QCT) 59 Co ( I =7/2) NMR signals from three cobalamin (Cbl) compounds (CNCbl, MeCbl, and AdoCbl) dissolved in glycerol/water. Measurements were performed at four magnetic fields ranging from 11.7 to 21.1 T. We found that the 59 Co QCT signals observed for cobalamin compounds in the slow motion regime (ω 0 τ C ≫1) are significantly narrower than those observed from their aqueous solutions where the molecular tumbling is near the condition of ω 0 τ C ≈1. We demonstrated that an analysis of 59 Co QCT signals recorded over different temperatures and at multiple magnetic fields allowed determination of both the 59 Co quadrupole coupling constant and chemical shift anisotropy for each of the three cobalamins. We successfully applied the 59 Co QCT NMR approach to monitor in situ the transformation of CNCbl to its “base off” form in the presence of KCN. We further discovered that, to obtain the maximum QCT signal intensity with the Hahn‐echo sequence, a strong B 1 field should be used for the first 90° pulse, but a weak B 1 field for the second 180° pulse. The reported 59 Co QCT NMR methodology opens up a new direction for studying structure and function of cobalamin compounds and their roles in biological processes.

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 score0.018
Threshold uncertainty score0.742

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 head0.009
GPT teacher head0.253
Teacher spread0.244 · 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

Citations10
Published2018
Admission routes2
Has abstractyes

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