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Related Concept Videos

¹H NMR Chemical Shift Equivalence: Homotopic and Heterotopic Protons01:03

¹H NMR Chemical Shift Equivalence: Homotopic and Heterotopic Protons

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Protons in identical electronic environments within a molecule are chemically equivalent and have the same chemical shift. The replacement test is a useful tool to identify chemical equivalence and predict NMR spectra. A substituent replaces each of the protons being examined and the resulting molecules are compared. If the same molecule is obtained, the protons are equivalent or homotopic. Replacement of any hydrogens in ethane by chlorine yields chloroethane because all six protons are...
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Inductive Effects on Chemical Shift: Overview01:27

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The protons in unsubstituted alkanes are strongly shielded with chemical shifts below 1.8 ppm. Methine, methylene, and methyl protons appear at approximately 1.7, 1.2 and 0.7 ppm, while the proton signal from methane appears at 0.23 ppm. An electronegative substituent, such as chlorine, withdraws the electron density from the protons, increasing their chemical shift. Progressive substitution of the hydrogens in methane by chlorine shifts the proton signals increasingly downfield, to 3.05 ppm in...
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π Electron Effects on Chemical Shift: Overview01:27

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An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0,...
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Chemical Shift: Internal References and Solvent Effects01:17

Chemical Shift: Internal References and Solvent Effects

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In an NMR sample, precise measurement of the absolute absorption frequencies of nuclei is difficult. A standard internal reference compound is added, and the frequency difference between the reference signal and sample signals is measured.
The internal reference compound generally used in NMR spectroscopy is tetramethylsilane (TMS). TMS is preferred because it is chemically inert, soluble in NMR solvents, and easily removable. Also, the highly shielded methyl protons in TMS yield an intense...
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NMR Spectroscopy: Chemical Shift Overview01:15

NMR Spectroscopy: Chemical Shift Overview

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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...
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¹H NMR Chemical Shift Equivalence: Enantiotopic and Diastereotopic Protons00:58

¹H NMR Chemical Shift Equivalence: Enantiotopic and Diastereotopic Protons

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Replacing each alpha-hydrogen in chloroethane by bromine (or a different functional group) yields a pair of enantiomers. Such protons are called prochiral or enantiotopic and are related by a mirror plane. Enantiotopic protons are chemically equivalent in an achiral environment. Because most proton NMR spectra are recorded using achiral solvents, enantiotopic hydrogens yield a single signal.
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Updated: Dec 12, 2025

Pure Shift Nuclear Magnetic Resonance: a New Tool for Plant Metabolomics
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Chemical shift-based prospective k-space anonymization.

Hendrik Mattern1, Martin Knoll1, Falk Lüsebrink1,2

  • 1Biomedical Magnetic Resonance, Otto-von-Guericke-University Magdeburg, Magdeburg, Germany.

Magnetic Resonance in Medicine
|August 8, 2020
PubMed
Summary
This summary is machine-generated.

Chemical shift-based prospective k-space anonymization (CHARISMA) offers a novel method for defacing raw head scan data. This low-cost technique effectively masks subject identification in gradient-echo images, supporting open science principles.

Keywords:
anonymizationdata securitydefacingfat shift

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Area of Science:

  • Medical Imaging
  • Data Privacy
  • Open Science

Background:

  • Publicly available data is crucial for open science, but poses challenges for data privacy and protection regulations.
  • Head scans are particularly sensitive due to the potential for facial reconstruction from images.
  • Defacing reconstructed images is possible, but not applicable to raw k-space data.

Purpose of the Study:

  • To present a novel method for prospective k-space defacing of raw head scan data.
  • To address the conflict between open data requirements and data privacy regulations in neuroimaging.
  • To enable the publication of anonymized raw k-space data.

Main Methods:

  • Developed chemical shift-based prospective k-space anonymization (CHARISMA).
  • Utilized an oil-filled mask placed on the subject's face during 7 T MRI acquisition.
  • Tested CHARISMA with gradient-echo sequences, varying readout bandwidth to adjust fat shift.
  • Employed intensity-based segmentation to assess retrospective unmasking potential.

Main Results:

  • A fat shift of 3.3 mm to 4.9 mm demonstrated the most effective masking of subject identification.
  • The CHARISMA approach significantly impaired subject identification in gradient-echo k-space data.
  • Longer echo times (TEs) inherently impeded retrospective unmasking, independent of CHARISMA.

Conclusions:

  • CHARISMA is the first prospective k-space defacing technique.
  • This method provides a simple, cost-effective solution for enhancing data privacy in MRI.
  • Further validation with additional imaging sequences is warranted.