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Related Concept Videos

NMR Spectroscopy Of Amines01:19

NMR Spectroscopy Of Amines

11.2K
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...
11.2K
NMR Spectroscopy of Aromatic Compounds01:14

NMR Spectroscopy of Aromatic Compounds

6.4K
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.
6.4K
NMR Spectroscopy of Benzene Derivatives01:34

NMR Spectroscopy of Benzene Derivatives

11.3K
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...
11.3K
NMR Spectroscopy: Chemical Shift Overview01:15

NMR Spectroscopy: Chemical Shift Overview

3.4K
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...
3.4K
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

3.3K
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...
3.3K
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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Hyperpolarized Xenon for NMR and MRI Applications
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Accurate pH Sensing using Hyperpolarized 129 Xe NMR Spectroscopy.

Estelle Léonce1, Jean-Pierre Dognon1, Delphine Pitrat2

  • 1NIMBE, CEA, CNRS, Université Paris Saclay, CEA Saclay, 91191, Gif-sur-Yvette, France.

Chemistry (Weinheim an Der Bergstrasse, Germany)
|March 1, 2018
PubMed
Summary

This study introduces a novel, bias-free method for non-invasive pH measurement using hyperpolarized 129 Xe and cryptophanes. The technique monitors chemical shift differences for accurate pH determination in complex samples.

Keywords:
NMR spectroscopycryptophaneshyperpolarized xenonpH mappingquantum chemistry

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Area of Science:

  • Nuclear Magnetic Resonance (NMR) spectroscopy
  • Chemical sensing
  • Biophysical chemistry

Background:

  • Non-invasive pH measurement is crucial in various scientific fields.
  • Traditional NMR methods for pH sensing often exhibit biases, particularly in heterogeneous environments.
  • Developing accurate and reliable pH monitoring techniques remains a significant challenge.

Purpose of the Study:

  • To develop a novel, bias-free method for non-invasive pH measurement.
  • To overcome the limitations of conventional NMR techniques in complex samples.
  • To utilize hyperpolarized 129 Xe and cryptophanes for enhanced pH sensing.

Main Methods:

  • Employing hyperpolarized 129 Xe gas encapsulated within water-soluble cryptophanes.
  • Utilizing the differential chemical shifts of 129 Xe signals for pH determination.
  • Analyzing the signals to achieve pH measurements free from common biases.

Main Results:

  • Demonstrated a novel approach for differential pH measurement using 129 Xe NMR.
  • The proposed method effectively minimizes biases typically associated with heterogeneous samples.
  • Successful application of the technique for accurate pH determination in complex systems.

Conclusions:

  • The developed method offers a powerful, non-invasive tool for pH measurement.
  • This technique significantly advances NMR-based sensing capabilities for biological and chemical applications.
  • The bias-free nature of this approach makes it highly suitable for analyzing complex and heterogeneous samples.