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Related Concept Videos

NMR Spectroscopy Of Amines01:19

NMR Spectroscopy Of Amines

11.1K
In proton NMR spectroscopy, primary amines and secondary amines showcase their N–H protons as a broad signal in the chemical shift range between δ 0.5 and 5 ppm. The exact position in this range depends on several factors, including sample concentration, hydrogen bonding, and the type of solvent used. Since amine protons undergo fast proton exchange in solution, the protons are labile and therefore do not participate in any splitting with adjacent protons. Thus, the observed peak is...
11.1K
NMR Spectroscopy of Aromatic Compounds01:14

NMR Spectroscopy of Aromatic Compounds

6.3K
Aromatic compounds can be identified or analyzed using proton NMR and carbon‐13 NMR. Typically, aromatic hydrogens or hydrogens directly bonded to the aromatic rings are strongly deshielded by the aromatic ring current. Therefore, they absorb in the range of 6.5–8.0 ppm in proton NMR spectra. For instance, aromatic hydrogens directly bonded to the benzene ring absorb at 7.3 ppm. However, aromatic hydrogens of larger rings absorb farther upfield or downfield than the ideal range.
6.3K
NMR Spectroscopy of Benzene Derivatives01:34

NMR Spectroscopy of Benzene Derivatives

11.2K
Simple unsubstituted benzene has six aromatic protons, all chemically equivalent. Therefore, benzene exhibits only a singlet peak at δ 7.3 ppm in the 1H NMR spectrum. The observed shift is far downfield because the aromatic ring current strongly deshields the protons. Any substitution on the benzene ring makes the aromatic protons nonequivalent, and the protons split each other. The peak is, therefore, no longer a singlet and the splitting pattern and their associated coupling...
11.2K
NMR Spectroscopy: Chemical Shift Overview01:15

NMR Spectroscopy: Chemical Shift Overview

3.3K
The position of the absorption signal of a sample is reported relative to the position of the signal of tetramethylsilane (TMS), which is added as an internal reference while recording spectra. The difference between the absorption frequencies of the sample and TMS (in Hz) is divided by the spectrometer operating frequency (in MHz) to obtain a dimensionless quantity called the chemical shift. It is reported on the δ (delta) scale and expressed in parts per million.
For instance, the proton...
3.3K
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

3.2K
The spin state of an NMR-active nucleus can have a slight effect on its immediate electronic environment. This effect propagates through the intervening bonds and affects the electronic environments of NMR-active nuclei up to three bonds away; occasionally, even farther. This phenomenon is called spin–spin coupling or J-coupling. Coupling interactions are mutual and result in small changes in the absorption frequencies of both nuclei involved. While nuclei of the same element are involved...
3.2K
NMR and Mass Spectroscopy of Carboxylic Acids01:30

NMR and Mass Spectroscopy of Carboxylic Acids

5.3K
In ¹H NMR spectroscopy, acidic protons (–COOH) of carboxylic acids are highly deshielded and absorb far downfield, at around 9–12 ppm. The chemical shift value depends on the concentration and solvent used.
While α protons of carboxylic acids absorb at 2–2.5 ppm, β protons absorb further upfield.
Carboxylic acids are easily identified by dissolving them in deuterium oxide, which results in a rapid exchange of the acidic protons with deuterium. This leads to the...
5.3K

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Related Experiment Video

Updated: Feb 3, 2026

Spot Variation Fluorescence Correlation Spectroscopy for Analysis of Molecular Diffusion at the Plasma Membrane of Living Cells
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Unexploited Dimension: New Software for Mixture Analysis by 3D Diffusion-Ordered NMR Spectroscopy.

Guilherme Dal Poggetto1, Laura Castañar1, Mohammadali Foroozandeh1

  • 1School of Chemistry , University of Manchester , Oxford Road , Manchester M13 9PL , United Kingdom.

Analytical Chemistry
|October 30, 2018
PubMed
Summary

MAGNATE software offers efficient analysis for 3D DOSY NMR diffusion data. This open-source tool enhances the use of powerful 3D DOSY experiments for researchers.

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Area of Science:

  • Nuclear Magnetic Resonance (NMR) Spectroscopy
  • Analytical Chemistry
  • Data Analysis Software

Background:

  • 3D DOSY experiments offer valuable insights but are underutilized due to a lack of efficient processing software.
  • Pulsed Field Gradient (PFG) 3D NMR diffusion data analysis is complex and requires specialized tools.

Purpose of the Study:

  • To introduce MAGNATE, an open-source software package for analyzing PFG 3D NMR diffusion data.
  • To demonstrate the capabilities of 3D DOSY experiments through user-friendly software.
  • To make advanced 3D diffusion data analysis more accessible to researchers.

Main Methods:

  • Development of MAGNATE software, a Multidimensional Analysis for the GNAT Environment package.
  • Implementation of both univariate (DOSY) and multivariate (OUTSCORE) analysis methods.
  • Creation of a user-friendly graphical interface for data visualization and analysis.

Main Results:

  • MAGNATE enables efficient analysis and visualization of 3D diffusion data for the first time.
  • The software supports diverse analytical approaches within a single platform.
  • MAGNATE can be used as a standalone tool or integrated with the GNAT program.

Conclusions:

  • MAGNATE significantly enhances the utility and accessibility of 3D DOSY NMR experiments.
  • The open-source nature of MAGNATE promotes wider adoption and further development in NMR data analysis.
  • This software empowers researchers to extract more comprehensive information from complex diffusion datasets.