Evidence map›Paper›PMID 24819426›Full record

ArticleJournal of magnetic resonance (San Diego, Calif. : 1997)2014

Evaluating the uncertainty in exchange parameters determined from off-resonance R1ρ relaxation dispersion for systems in fast exchange.

Jameson R Bothe, Zachary W Stein, Hashim M Al-Hashimi

Open access · greenAbstract read
In one paragraph

Article in Journal of magnetic resonance (San Diego, Calif. : 1997), 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 26 papers.

0numbers the graph read from it
0cells of the map it votes in
26citing papers in PubMed
2.1field-weighted citation impact, top 11% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

26 citing papers in PubMed, 46 citations in OpenAlex.

  1. Article
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  9. Measuring thermodynamic preferences to form non-native conformations in nucleic acids using ultraviolet melting.Proceedings of the National Academy of Sciences of the United States of America · 2022
    Article
  10. Review
  11. A quantitative model predicts how mNature communications · 2021
    Article
  12. Article
  13. Slow motions in A·T rich DNA sequence.Scientific reports · 2020
    Article
  14. Article
  15. Article
  16. Article
  17. Direct evidence for (G)O6···HJournal of magnetic resonance (San Diego, Calif. : 1997) · 2019
    Article
  18. Article
  19. Chemical Exchange.Methods in enzymology · 2019
    Article
  20. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

3 authors at 2 institutions in 1 country.

Jameson R BotheDepartment of Chemistry and Biophysics, University of Michigan, Ann Arbor, MI 48109, United States.
Zachary W SteinDepartment of Chemistry and Biophysics, University of Michigan, Ann Arbor, MI 48109, United States.
Hashim M Al-HashimiDepartment of Biochemistry and Chemistry, Duke University School of Medicine, Durham, NC 27710, United States. Electronic address: hashim.al.hashimi@duke.edu.
University of Michigan–Ann Arbor · USDuke University · US

Funding

Role of DNA structural dynamics in mutagenesis and oncogenesisR01GM089846 · NIGMS · UNIVERSITY OF MICHIGAN AT ANN ARBOR · PI Hashim M Al-Hashimi · 2010 to 2026
$5.2M
Targeting HIV-1 Regulatory RNA ElementsR01AI066975 · NIAID · UNIVERSITY OF MICHIGAN AT ANN ARBOR · PI AL-HASHIMI, HASHIM M · 2005 to 2014
$2.6M
NIAID NIH HHS AI066975NIGMS NIH HHS R01 GM089846
6 · The paper itself

Abstract

Spin relaxation in the rotating frame (R1ρ) is a powerful NMR technique for characterizing fast microsecond timescale exchange processes directed toward short-lived excited states in biomolecules. At the limit of fast exchange, only k(ex)=k(1)+k(-1) and Φex=p(G)p(E)(Δω)(2) can be determined from R1ρ data limiting the ability to characterize the structure and energetics of the excited state conformation. Here, we use simulations to examine the uncertainty with which exchange parameters can be determined for two state systems in intermediate-to-fast exchange using off-resonance R1ρ relaxation dispersion. R1ρ data computed by solving the Bloch-McConnell equations reveals small but significant asymmetry with respect to offset (R1ρ (ΔΩ)≠R1ρ (-ΔΩ)), which is a hallmark of slow-to-intermediate exchange, even under conditions of fast exchange for free precession chemical exchange line broadening (k(ex)/Δω>10). A grid search analysis combined with bootstrap and Monte-Carlo based statistical approaches for estimating uncertainty in exchange parameters reveals that both the sign and magnitude of Δω can be determined at a useful level of uncertainty for systems in fast exchange (k(ex)/Δω<10) but that this depends on the uncertainty in the R1ρ data and requires a thorough examination of the multidimensional variation of χ(2) as a function of exchange parameters. Results from simulations are complemented by analysis of experimental R1ρ data measured in three nucleic acid systems with exchange processes occurring on the slow (k(ex)/Δω=0.2; pE=∼0.7%), fast (k(ex)/Δω=∼10-16; p(E)=∼13%) and very fast (k(ex)=39,000 s(-1)) chemical shift timescales.

Indexed as

AlgorithmsModels, StatisticalBiopolymersComputer SimulationData Interpretation, StatisticalMagnetic Resonance SpectroscopyReproducibility of ResultsSensitivity and SpecificityBiopolymersDNADynamicsExcited stateFast exchangeRNARotating-frame relaxation dispersion

Identifiers

PMID24819426
PMCPMC4222517
OpenAlexW2031808936

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.