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Related Concept Videos

Applications Of NMR In Biology01:25

Applications Of NMR In Biology

3.6K
Nuclear magnetic resonance (NMR) spectroscopy is a very valuable analytical technique for researchers. It has been used for more than 50 years as an analytical tool. F. Bloch and E. Purcell formulated NMR in 1946 and won the 1952 Nobel Prize in Physics  for their work. Biological macromolecules such as proteins, nucleic acids, lipids, and organic molecules including pharmaceutical compounds, can be studied using this versatile tool that exploits the magnetic properties of certain nuclei.
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NMR Spectrometers: Resolution and Error Correction01:14

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When magnetic nuclei in a sample achieve resonance and undergo relaxation, the signal detected in NMR is an approximately exponential free induction decay. Fourier transform of an exponential decay yields a Lorentzian peak in the frequency domain. Lorentzian peaks in an NMR spectrum are defined by their amplitude, full width at half maximum, and position, where the peak width is governed by the spin-spin relaxation time alone. In real experiments, however, the applied magnetic field is rendered...
592
Chemical Shift: Internal References and Solvent Effects01:17

Chemical Shift: Internal References and Solvent Effects

557
In an NMR sample, precise measurement of the absolute absorption frequencies of nuclei is difficult. A standard internal reference compound is added, and the frequency difference between the reference signal and sample signals is measured.
The internal reference compound generally used in NMR spectroscopy is tetramethylsilane (TMS). TMS is preferred because it is chemically inert, soluble in NMR solvents, and easily removable. Also, the highly shielded methyl protons in TMS yield an intense...
557

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Identification and Quantification of Deranged Metabolites in Critically Ill Patients Using NMR-Based Metabolomics
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Identification and Quantification of Deranged Metabolites in Critically Ill Patients Using NMR-Based Metabolomics

Published on: November 29, 2024

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Best Practices in NMR Metabolomics: Current State.

Robert Powers1, Erik R Andersson2, Amanda L Bayless3

  • 1Department of Chemistry, University of Nebraska-Lincoln, Lincoln, NE 68588-0304, USA Nebraska Center for Integrated Biomolecular Communication, University of Nebraska-Lincoln, Lincoln, NE 68588-0304, USA.

Trends in Analytical Chemistry : TRAC
|April 16, 2025
PubMed
Summary
This summary is machine-generated.

NMR metabolomics studies often lack essential details and standardized reporting. This survey highlights the need for best practices in conducting and reporting these scientific investigations.

Keywords:
Best PracticesLiterature surveyMetabolomicsNMR

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Area of Science:

  • Biochemistry
  • Analytical Chemistry
  • Bioinformatics

Background:

  • Nuclear Magnetic Resonance (NMR) metabolomics is a powerful tool for studying biological systems.
  • Standardized reporting of NMR metabolomics studies is crucial for reproducibility and data interpretation.
  • Previous assessments indicate variability in the reporting of metabolomics experiments.

Purpose of the Study:

  • To survey current practices in conducting and reporting NMR metabolomics studies.
  • To identify gaps in reporting essential experimental details and statistical methods.
  • To encourage the development and adoption of best practices in the field.

Main Methods:

  • A literature survey of 463 papers from 2020 and 80 papers from 2010, sourced from PubMed.
  • Manual analysis of selected papers by investigators to assess the completeness of reported experimental procedures and protocols.
  • Evaluation of statistical methods and model validation practices.

Main Results:

  • A significant number of studies incompletely reported essential experimental details and statistical methods.
  • Improper application and lack of validation for supervised multivariate statistical analyses were common.
  • High diversity in protocols and software suggests a lack of consensus and standardized practices.

Conclusions:

  • Current NMR metabolomics research exhibits considerable heterogeneity in methodology and reporting.
  • There is a pressing need for the NMR metabolomics community to establish and adhere to common standards.
  • Adoption of best practices will enhance the reliability and comparability of metabolomics data.