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Record W1979115564 · doi:10.1021/ja001022o

Localization of <sup>23</sup>Na<sup>+</sup> in a DNA Quadruplex by High-Field Solid-State NMR

2000· article· en· W1979115564 on OpenAlexaff
David Rovnyak, Marc Baldus, Gang Wu, Nicholas V. Hud, Juli Feigon, Robert G. Griffin

Bibliographic record

VenueJournal of the American Chemical Society · 2000
Typearticle
Languageen
FieldChemistry
TopicAdvanced NMR Techniques and Applications
Canadian institutionsQueen's University
Fundersnot available
KeywordsChemistryIonQuadrupoleNuclear magnetic resonance spectroscopySolid-state nuclear magnetic resonanceSpectroscopyNMR spectra databaseGuanineSodiumAnalytical Chemistry (journal)Spectral lineCrystallographyNuclear magnetic resonanceStereochemistryAtomic physicsNucleotideChromatography

Abstract

fetched live from OpenAlex

Monovalent cations such as Na +, K +, and NH 4 + are known to stabilize DNA quadruplexes formed of guanine-quartets. Such structures readily form from the guanine-rich repeat sequences found in telomeres, the physical ends of eukaryotic chromosomes. We present a solid-state NMR approach for studying ions associated with G-quartets based on the direct NMR observation of 23 Na + ion resonances and report new methods for studying quadrupolar nuclei in biological solids. In the tetraplex forming oligonucleotide d(TG 4 T), high-field (17.6 T) NMR spectra cleanly resolve three distinct classes of sodium ions. A high-resolution 2D-MQMAS spectrum established the assignment of an amorphously broadened signal at −19 ppm (relative to 0.1 M NaCl) to surface-bound Na + ions. Two-dimensional nutation spectroscopy was used to indicate the relative size of the quadrupole coupling for each line, while a standard exchange experiment established a correlation between surface (−19 ppm) and channel-bound (6.8 ppm) Na + ions. Finally, free sodium ions are observed at 0 ppm. This work demonstrates the utility of high field spectroscopy in combination with a suite of 2D solid-state NMR experiments for resolving and assigning multiple Na + sites in [d(TG 4 T)] 4 .

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 score0.097
Threshold uncertainty score0.677

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.001
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 head0.006
GPT teacher head0.266
Teacher spread0.260 · 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

Citations63
Published2000
Admission routes1
Has abstractyes

Explore more

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