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Record W1978901740 · doi:10.1021/jp209049k

An Optimized Relaxation-Based Coherence Transfer NMR Experiment for the Measurement of Side-Chain Order in Methyl-Protonated, Highly Deuterated Proteins

2011· article· en· W1978901740 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueThe Journal of Physical Chemistry B · 2011
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicProtein Structure and Dynamics
Canadian institutionsHospital for Sick ChildrenUniversity of Toronto
FundersCanadian Institutes of Health Research
KeywordsCoherence (philosophical gambling strategy)DeuteriumMagnetization transferMethyl groupRelaxation (psychology)ChemistrySide chainDelocalized electronProtonationDegenerate energy levelsProtonTransferabilityMagnetizationPhysicsNuclear magnetic resonance spectroscopyQuantumChemical physicsNuclear magnetic resonanceAtomic physicsQuantum mechanicsMagnetic fieldComputer science

Abstract

fetched live from OpenAlex

Relaxation violated coherence transfer NMR spectroscopy has emerged as a powerful experimental tool for the quantitative measurement of amplitudes of motion of methyl containing side-chains. Typically, the experiments, performed on proteins that are highly deuterated and methyl-protonated, monitor the build-up of methyl (1)H double-quantum magnetization. Because all three protons in a methyl group are degenerate, such coherences can only result from differential relaxation of transverse magnetization components, which in turn reflect the extent and time-scale of motion of the methyl probe [Tugarinov, V., Sprangers, R.; Kay, L.E. J. Am. Chem. Soc. 2007, 129, 1743-1750]. We show here that a 50% gain in the sensitivity of the experiment can be achieved through selection of (1)H triple-quantum coherence, thereby significantly increasing the utility of the approach. A theoretical treatment rationalizes the sensitivity gain that is subsequently verified through experiment. The utility of the methodology is demonstrated on a number of proteins, including the 360 kDa α(7)α(7) "half-proteasome".

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.

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)0.001
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 score0.079
Threshold uncertainty score0.343

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
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 head0.020
GPT teacher head0.258
Teacher spread0.238 · 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