ArticleScience (New York, N.Y.)2017
Unequivocal determination of complex molecular structures using anisotropic NMR measurements.
Article in Science (New York, N.Y.), 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 43 papers.
What it found
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The trial behind it
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Who cites it
43 citing papers in PubMed.
- Diastereotopic Fluorines of CFChirality · 2026Article
- Anisotropic NMR as a Crucial Tool for Differentiation of Epimers With High Conformational Flexibility.Angewandte Chemie (International ed. in English) · 2026Article
- A Computational Investigation of theInternational journal of molecular sciences · 2026Article
- Assigning the stereochemistry of natural products by machine learning.Journal of cheminformatics · 2026Article
- The Evolving Landscape of NMR Structural Elucidation.Molecules (Basel, Switzerland) · 2026Review
- Residual Chemical Shift Anisotropies in the Structure Determination of Small Molecules.Magnetic resonance in chemistry : MRC · 2026Review
- The Transition State of PBLG Studied by Deuterium NMR.Polymers · 2025Article
- Chiral Polyacetylene-PDMS-Copolymer-Gels as Enantiodifferentiating Alignment Media.Magnetic resonance in chemistry : MRC · 2025Article
- Impact of dispersion correction in DFT-enhanced anisotropic NMR for stereochemical elucidation of flexible marine natural products.Marine life science & technology · 2025Article
- Computational NMR Study ofInternational journal of molecular sciences · 2025Article
- Benchmark of Density Functional Theory in the Prediction ofJournal of chemical theory and computation · 2025Article
- Absolute Configuration of 12Journal of natural products · 2024Article
- Molecular mechanisms and evolutionary robustness of a color switch in proteorhodopsins.Science advances · 2024Article
- Unequivocal identification of two-bond heteronuclear correlations in natural products at nanomole scale by i-HMBC.Nature communications · 2023Article
- Magnetically aligned nanodiscs enable direct measurement ofJournal of magnetic resonance (San Diego, Calif. : 1997) · 2023Article
- Connection of Isolated Stereoclusters by CombiningMarine drugs · 2022Article
- Approaches to Configuration Determinations of Flexible Marine Natural Products: Advances and Prospects.Marine drugs · 2022Review
- NMR-Based Configurational Assignments of Natural Products: Gibbs Sampling and Bayesian Inference Using Floating Chirality Distance Geometry Calculations.Marine drugs · 2021Article
- Ethnobotany and the Role of Plant Natural Products in Antibiotic Drug Discovery.Chemical reviews · 2021Review
- Application of Crystalline Matrices for the Structural Determination of Organic Molecules.ACS central science · 2021Review
Corrections and comments
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Authors and funding
8 authors.
Funding
Abstract
Assignment of complex molecular structures from nuclear magnetic resonance (NMR) data can be prone to interpretational mistakes. Residual dipolar couplings and residual chemical shift anisotropy provide a spatial view of the relative orientations between bonds and chemical shielding tensors, respectively, regardless of separation. Consequently, these data constitute a reliable reporter of global structural validity. Anisotropic NMR parameters can be used to evaluate investigators' structure proposals or structures generated by computer-assisted structure elucidation. Application of the method to several complex structure assignment problems shows promising results that signal a potential paradigm shift from conventional NMR data interpretation, which may be of particular utility for compounds not amenable to x-ray crystallography.
Identifiers
What OpenQuestion holds
Registered trials
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.