ArticleAnalytical chemistry2014
Customized metabolomics database for the analysis of NMR ¹H-¹H TOCSY and ¹³C-¹H HSQC-TOCSY spectra of complex mixtures.
Article in Analytical chemistry, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 46 papers.
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.
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.
Who cites it
46 citing papers in PubMed.
- Determination of the structure and dynamics of linear polypeptide gramicidin A at atomic-scale resolution.RSC advances · 2026Article
- Use of Nuclear Magnetic Resonance (NMR) to Study Cancer Metabolism.Advances in experimental medicine and biology · 2026Review
- Exercise Attenuates Skeletal Muscle Atrophy in Senescent SAMP8 Mice: Metabolic Insights from NMR-Based Metabolomics.Molecules (Basel, Switzerland) · 2025Article
- Development of a Proton Spin Network Fingerprint Library to Support Mass Spectrometry-Based Identification of Pharmacophore-Bearing Constituents in the Botanical SupplementJournal of natural products · 2025Article
- Anticoagulant effects, substance basis, and quality assessment approach of Aspongopus chinensis Dallas.PloS one · 2025Article
- NMR-Based Stable Isotope Tracing of Cancer Metabolism.Methods in molecular biology (Clifton, N.J.) · 2025Article
- Practical Aspects of NMR-Based Metabolomics.Handbook of experimental pharmacology · 2023Article
- Metabolomics in Cell Biology.Handbook of experimental pharmacology · 2023Article
- Problems, principles and progress in computational annotation of NMR metabolomics data.Metabolomics : Official journal of the Metabolomic Society · 2022Review
- Metabolomics on the study of marine organisms.Metabolomics : Official journal of the Metabolomic Society · 2022Review
- Studying Metabolism by NMR-Based Metabolomics.Frontiers in molecular biosciences · 2022Review
- Novelty detection for metabolic dynamics established on breast cancer tissue using 2D NMR TOCSY spectra.Computational and structural biotechnology journal · 2022Article
- It happened again: Convergent evolution of acylglucose specialized metabolism in black nightshade and wild tomato.Science advances · 2021Article
- The exposome paradigm to predict environmental health in terms of systemic homeostasis and resource balance based on NMR data science.RSC advances · 2021Review
- NMR-based serum and urine metabolomic profile reveals suppression of mitochondrial pathways in experimental sepsis-associated acute kidney injury.American journal of physiology. Renal physiology · 2021Article
- NMR-based metabolomics with enhanced sensitivity.RSC advances · 2021Article
- Quantitative NMR-Based Biomedical Metabolomics: Current Status and Applications.Molecules (Basel, Switzerland) · 2020Review
- Metabolomics in the Context of Plant Natural Products Research: From Sample Preparation to Metabolite Analysis.Metabolites · 2020Review
- Evidence for Proline Utilization by Oral Bacterial Biofilms Grown in Saliva.Frontiers in microbiology · 2020Article
- Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
Abstract
A customized metabolomics NMR database, termed (1)H((13)C)-TOCCATA, is introduced, which contains complete (1)H and (13)C chemical shift information on individual spin systems and isomeric states of common metabolites. Since this information directly corresponds to cross sections of 2D (1)H-(1)H TOCSY and 2D (13)C-(1)H HSQC-TOCSY spectra, it allows the straightforward and unambiguous identification of metabolites of complex metabolic mixtures at (13)C natural abundance from these types of experiments. The (1)H((13)C)-TOCCATA database, which is complementary to the previously introduced TOCCATA database for the analysis of uniformly (13)C-labeled compounds, currently contains 455 metabolites, and it can be used through a publicly accessible web portal. We demonstrate its performance by applying it to 2D (1)H-(1)H TOCSY and 2D (13)C-(1)H HSQC-TOCSY spectra of a cell lysate from E. coli, which yields a substantial improvement over other databases, as well as 1D NMR-based approaches, in the number of compounds that can be correctly identified with high confidence.
Indexed as
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.