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Related Concept Videos

Applications Of NMR In Biology01:25

Applications Of NMR In Biology

4.8K
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.
4.8K
¹H NMR Signal Integration: Overview00:58

¹H NMR Signal Integration: Overview

4.5K
The intensity of a signal, which can be represented by the area under the peak, depends on the number of protons contributing to that signal. The area under each peak is shown as a vertical line called an integral, with the integral value listed under it, as seen in the proton NMR spectrum of benzyl acetate. Each integral value is divided by the smallest integral value to obtain the ratio of the number of protons producing each signal. The ratio reveals the relative number of protons and not...
4.5K
2D NMR: Overview of Homonuclear Correlation Techniques01:16

2D NMR: Overview of Homonuclear Correlation Techniques

823
Homonuclear correlation spectroscopy (COSY) is a powerful technique used in Nuclear Magnetic Resonance (NMR) spectroscopy to study the correlations between nuclei of the same type within a molecule. It provides information about scalar couplings between adjacent nuclei, which helps determine connectivity and structural information. There are several COSY variants, each with its unique strengths and experimental parameters.
COSY90 is the standard two-dimensional (2D) COSY experiment that...
823
NMR Spectrometers: Overview01:20

NMR Spectrometers: Overview

2.5K
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...
2.5K
2D NMR: Overview of Heteronuclear Correlation Techniques01:18

2D NMR: Overview of Heteronuclear Correlation Techniques

930
Heteronuclear correlation spectroscopy is an analytical technique that investigates the coupling between different types of nuclei, often a proton and an X-nucleus, such as carbon-13 or nitrogen-15. This method is commonly used in nuclear magnetic resonance (NMR) spectroscopy to gain insights into complex chemical compounds' structural and compositional aspects. A typical heteronuclear correlation spectrum displays X-nucleus chemical shifts on one axis and a proton spectrum on the other...
930
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

1.8K
Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
1.8K

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Related Experiment Video

Updated: Apr 13, 2026

Concentration of Metabolites from Low-density Planktonic Communities for Environmental Metabolomics using Nuclear Magnetic Resonance Spectroscopy
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(13)C NMR Metabolomics: INADEQUATE Network Analysis.

Chaevien S Clendinen, Christian Pasquel1, Ramadan Ajredini

  • 1§Wolfram Research South America, Lima, 17 Peru.

Analytical Chemistry
|May 2, 2015
PubMed
Summary

We developed INETA, a new semiautomated method for analyzing (13)C-(13)C correlation NMR data. This approach enhances metabolomics analysis by leveraging an in silico database for untargeted INADEQUATE experiments.

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Area of Science:

  • Biochemistry
  • Analytical Chemistry
  • Metabolomics

Background:

  • Carbon-13 Nuclear Magnetic Resonance ((13)C NMR) offers direct insights into biologically relevant molecules.
  • Low sensitivity of (13)C NMR limits its widespread application.
  • Two-dimensional (13)C-(13)C correlation experiments, such as INADEQUATE (incredible natural abundance double quantum transfer experiment), are powerful for structural elucidation but underutilized in metabolomics.

Purpose of the Study:

  • To introduce INETA (INADEQUATE network analysis), a novel semiautomated approach for processing INADEQUATE NMR data.
  • To enable untargeted metabolomics analysis using (13)C-(13)C correlation spectroscopy.
  • To demonstrate the utility of INETA with isotopically labeled Caenorhabditis elegans.

Main Methods:

  • Development of a semiautomated INETA pipeline for INADEQUATE data analysis.
  • Creation of an in silico INADEQUATE database for computational analysis.
  • Application of INETA to isotopically labeled Caenorhabditis elegans samples.

Main Results:

  • Successful implementation of the INETA approach for untargeted analysis of complex (13)C-(13)C correlation NMR datasets.
  • Demonstration of INETA's capability in analyzing metabolomic samples.
  • Validation of the method using Caenorhabditis elegans.

Conclusions:

  • INETA provides an efficient and semiautomated solution for analyzing INADEQUATE NMR data.
  • This method unlocks the potential of (13)C-(13)C correlation experiments for advanced metabolomics.
  • INETA facilitates deeper structural insights into complex biological mixtures.