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Related Concept Videos

Applications Of NMR In Biology01:25

Applications Of NMR In Biology

3.3K
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: Overview01:20

NMR Spectrometers: Overview

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NMR spectrometers consist of a strong magnet, a radiofrequency transmitter, and a detector attached to a computer console for recording spectra of samples containing NMR-active nuclei. In first-generation NMR instruments called continuous-wave spectrometers, the resonance frequencies of the nuclei are determined by frequency-sweep or field-sweep methods. The magnetic field strength is fixed and the rf signal is swept in the former, while the radiofrequency signal is fixed and the magnetic field...
2.0K

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Concentration of Metabolites from Low-density Planktonic Communities for Environmental Metabolomics using Nuclear Magnetic Resonance Spectroscopy
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Databases and Software for NMR-Based Metabolomics.

James J Ellinger1, Roger A Chylla, Eldon L Ulrich

  • 1Department of Biochemistry, University of Wisconsin-Madison, 433 Babcock Drive, Madison WI 53706, USA.

Current Metabolomics
|November 22, 2013
PubMed
Summary
This summary is machine-generated.

Nuclear Magnetic Resonance (NMR) spectroscopy, aided by advanced metabolite databases and software, enhances the identification and quantification of small molecules. This supports crucial metabolite biomarker and metabolic flux studies.

Keywords:
Chemometricsdatabasesnuclear magnetic resonancequantitative metabolomicssoftware

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Area of Science:

  • Analytical Chemistry
  • Biochemistry
  • Computational Biology

Background:

  • Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful technique for identifying and quantifying small molecules in solution.
  • Sophisticated NMR metabolite spectral databases and software are crucial for advancing metabolomics research.
  • Existing databases offer experimental and theoretical spectral data for numerous compounds, supporting complex biological mixture analysis.

Purpose of the Study:

  • To review database and software tools that facilitate quantitative NMR analysis.
  • To highlight advancements in NMR spectroscopy for metabolomics.
  • To discuss the integration of computational algorithms with NMR data for chemometric and quantitative metabolomics.

Main Methods:

  • Focus on database and software tools for quantitative NMR.
  • Analysis of 1D and 2D NMR spectra from complex biological mixtures.
  • Leveraging experimental and theoretical spectral data from public and commercial databases.

Main Results:

  • Emerging public databases provide experimental NMR data for complex metabolic studies.
  • Databases contain extensive spectral information for over a thousand compounds.
  • These resources are vital for developing and validating new computational algorithms for metabolomics.

Conclusions:

  • Advanced NMR databases and software are essential for quantitative metabolomics.
  • The development of computational tools is critical for interpreting complex NMR spectral data.
  • NMR spectroscopy, supported by robust data resources, plays a key role in metabolite biomarker discovery and metabolic flux analysis.