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Related Concept Videos

Applications Of NMR In Biology01:25

Applications Of NMR In Biology

4.6K
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.
4.6K
Two-Dimensional (2D) NMR: Overview01:12

Two-Dimensional (2D) NMR: Overview

1.6K
The 1D NMR spectrum of large and complex molecules like natural products has complicated splitting patterns and overlapping signals, which can be easily interpreted using 2-dimensional (2D) NMR. Unlike 1D NMR, 2D NMR has two frequency axes that provide the coupling information between the nucleus A and nucleus B in a molecule. The process from which 2D spectra are obtained has four steps.
The first step is the preparation period, during which nucleus A is excited with a radiofrequency pulse....
1.6K
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

1.6K
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...
1.6K
¹³C NMR: ¹H–¹³C Decoupling01:04

¹³C NMR: ¹H–¹³C Decoupling

1.9K
The probability of having two carbon-13 atoms next to each other is negligible because of the low natural abundance of carbon-13. Consequently, peak splitting due to carbon-carbon spin-spin coupling is not observed in spectra. However, protons up to three sigma bonds away split the carbon signal according to the n+1 rule, resulting in complicated spectra.
A broadband decoupling technique is used to simplify these complex, sometimes overlapping, signals. Broadband decoupling relies on a...
1.9K
NMR Spectrometers: Resolution and Error Correction01:14

NMR Spectrometers: Resolution and Error Correction

1.1K
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...
1.1K
Nuclear Magnetic Resonance (NMR): Overview01:07

Nuclear Magnetic Resonance (NMR): Overview

7.5K
Nuclear magnetic resonance (NMR) is a phenomenon exhibited by certain nuclei that can absorb characteristic radio frequency radiation under certain conditions. NMR has been extensively applied in molecular spectroscopy and medical diagnostic imaging. In both these applications, the molecule or subject under study is placed in a magnetic field and irradiated with radio frequency energy.
NMR spectroscopy generates a spectrum where the characteristic absorption frequencies of the sample are...
7.5K

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Related Experiment Video

Updated: Mar 2, 2026

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

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Deriving biomedical diagnostics from NMR spectroscopic data.

Ian C P Smith1, Ray L Somorjai2

  • 1Institute for Biodiagnostics, National Research Council, Winnipeg, R3B 1Y6, Canada. ian.smith@nrc-cnrc.gc.ca.

Biophysical Reviews
|May 17, 2017
PubMed
Summary
This summary is machine-generated.

This study presents the statistical classification strategy (SCS) for analyzing biomedical spectroscopic data. SCS aids in developing accurate diagnostic tools by identifying key observations from large datasets, as shown with 1H NMR spectra analysis.

Keywords:
1H NMR spectraBiomedical spectroscopyCancer screeningSoft independent modelling of class analogies (SIMCA)Statistical classification strategy (SCS)

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Assessing Hepatic Metabolic Changes During Progressive Colonization of Germ-free Mouse by 1H NMR Spectroscopy
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Paramagnetic Relaxation Enhancement for Detecting and Characterizing Self-Associations of Intrinsically Disordered Proteins
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Assessing Hepatic Metabolic Changes During Progressive Colonization of Germ-free Mouse by 1H NMR Spectroscopy
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Area of Science:

  • Biomedical Spectroscopy
  • Chemometrics
  • Data Analysis

Background:

  • Biomedical spectroscopic experiments yield vast datasets.
  • Accurate diagnostic tools require analysis of few characteristic observations per subject.
  • A large number of subjects are essential for robust diagnostic models.

Purpose of the Study:

  • To describe and demonstrate data analytic approaches for biomedical spectroscopic data.
  • To showcase the application of the statistical classification strategy (SCS) using 1H NMR spectra.

Main Methods:

  • Principal component analysis (PCA) and partial least squares (PLS), collectively known as SIMCA.
  • Statistical Classification Strategy (SCS) for data analysis.
  • Analysis of 1H NMR spectra for diagnostic applications.

Main Results:

  • Demonstration of SCS application in three distinct biomedical scenarios.
  • Successful screening for colon cancer using 1H NMR spectra.
  • Characterization of thyroid cancer and differentiation of biliary tract cancer from cholangitis.

Conclusions:

  • The statistical classification strategy (SCS) is a viable approach for analyzing complex biomedical spectroscopic data.
  • SCS facilitates the development of diagnostic tools for various cancers and conditions.
  • 1H NMR spectroscopy combined with SCS shows promise in clinical diagnostics.