Evidence map›Paper›PMID 39814553›Full record

ArticleJournal of the American Chemical Society2025

OPTO: Automated Optimization for Solid-State NMR Spectroscopy.

Collin G Borcik, Barry DeZonia, Thirupathi Ravula, Benjamin D Harding, Rajat Garg, Chad M Rienstra

Abstract read
In one paragraph

Article in Journal of the American Chemical Society, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing papers in PubMed
–field-weighted citation impact
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

6 citing papers in PubMed.

  1. Article
  2. bioRxiv : the preprint server for biology · 2026
    Article
  3. Article
  4. Probe design for high sensitivity proton-detected solid-state NMR.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2025
    Article
  5. Article
  6. Review
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

6 authors.

Collin G BorcikDepartment of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706, United States.ORCID 0000-0002-4733-7773
Barry DeZoniaDepartment of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706, United States.ORCID 0000-0002-7151-8670
Thirupathi RavulaDepartment of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706, United States.ORCID 0000-0002-6351-6878
Benjamin D HardingDepartment of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706, United States.
Rajat GargDepartment of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706, United States.ORCID 0000-0001-8713-0198
Chad M RienstraDepartment of Biochemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706, United States.ORCID 0000-0002-9912-5596

Funding

Technologies for Solid-State NMR Data CollectionP41GM136463 · NIGMS · UNIVERSITY OF WISCONSIN-MADISON · PI WESTLER, WILLIAM MILO · 2021 to 2025
$6.4M
Predoctoral Training in Molecular BiophysicsT32GM130550 · NIGMS · UNIVERSITY OF WISCONSIN-MADISON · PI SENES, ALESSANDRO · 2019 to 2023
$1.5M
Structural Biology and Biophysics of Alpha-Synuclein Fibrils by Solid-State NMRF32GM149118 · NIGMS · UNIVERSITY OF WISCONSIN-MADISON · PI BORCIK, COLLIN GRIFFIN · 2023 to 2024
$143k
NIGMS NIH HHS F32 GM149118NIGMS NIH HHS P41 GM136463NIGMS NIH HHS T32 GM130550
6 · The paper itself

Abstract

NMR spectroscopy presents boundless opportunities for understanding the structure, dynamics, and function for a broad range of scientific applications. Solid-state NMR (SSNMR), in particular, provides novel insights into biological and material systems that are not amenable to other approaches. However, a major bottleneck is the extent of user training and the difficulty of obtaining reproducible, high-quality experimental results, especially for the sophisticated multidimensional pulse sequences that are essential to provide site-resolved measurements in large biomolecules. Here, we present OPTO, a software operating environment that addresses these challenges and enhances the performance of many types of commonly utilized SSNMR experiments. OPTO is compatible with Varian OpenVnmrJ and Bruker Topspin, with a front-end graphical user interface that presents the instrument operator with access to powerful underlying optimization algorithms, including simplex and grid searches of the dozens of parameter settings required for optimal performance. Therefore, OPTO efficiently leverages instrument time and enables instrument operators to find optimal experimental conditions reliably. We demonstrate examples including improvements in (1) resolution, with an automated, global search of 21 shimming parameters to achieve a 12 parts per billion line width; (2) sensitivity, with searches and refinements of several cross-polarization conditions dependent on 16 parameters in triple resonance experiments; and (3) robustness, with results from protein samples on several spectrometers operating at different magnetic field strengths and magic-angle spinning rates.

Identifiers

PMID39814553
PMCPMC11808819

What OpenQuestion holds

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Registered trials

None linked

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.