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2D NMR: Overview of Homonuclear Correlation Techniques01:16

2D NMR: Overview of Homonuclear Correlation Techniques

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

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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...
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Homonuclear correlation spectroscopy, or COSY, is a 2-dimensional NMR technique that provides information about coupled protons. Typically, the geminal and vicinal coupling are observed. For example, consider the COSY spectrum of ethyl acetate, where its 1D proton NMR spectrum is plotted along the vertical and horizontal axes with their corresponding chemical shift scale. Three spots on the diagonal corresponding to the three peaks in the 1D proton spectrum are called diagonal peaks. The COSY...
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2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)01:19

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Heteronuclear single-quantum correlation spectroscopy (HSQC) is a 2D NMR technique that reveals one-bond correlations between hydrogen and a heteronucleus. The HSQC experiment is similar to the heteronuclear correlation experiment (HETCOR) but is more sensitive. In the HSQC spectrum, the proton chemical shift is plotted on the horizontal F2 axis, while the 13C chemical shift is plotted on the vertical F1 axis. The corresponding proton and 13C spectra are also shown. The HSQC contour plot does...
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NMR Spectrometers: Resolution and Error Correction01:14

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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...
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Sample Drift Correction Following 4D Confocal Time-lapse Imaging
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Simultaneous frequency and phase corrections of single-shot MRS data using cross-correlation.

Dinesh K Deelchand1

  • 1Center for Magnetic Resonance Research, Department of Radiology, University of Minnesota, Minneapolis, Minnesota, USA.

Magnetic Resonance in Medicine
|August 18, 2024
PubMed
Summary

A new spectral cross-correlation (SC) technique rapidly and accurately corrects frequency and phase drifts in Magnetic Resonance Spectroscopy (MRS) data, even with low signal-to-noise ratios and artifacts.

Keywords:
MR spectroscopyanalysisbrainpreprocessing

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Area of Science:

  • Magnetic Resonance Spectroscopy (MRS)
  • Biomedical Signal Processing

Background:

  • MRS data is susceptible to frequency and phase drifts, complicating analysis.
  • Accurate spectral alignment is crucial for reliable MRS quantification.

Purpose of the Study:

  • To introduce a novel spectral cross-correlation (SC) method for simultaneous frequency and phase drift correction in MRS.
  • To evaluate the SC technique's performance against existing alignment methods.

Main Methods:

  • Simulations were performed using STEAM human data at 7T with added frequency/phase offsets and noise.
  • The proposed SC method was compared with three other simultaneous alignment techniques.
  • Validation was conducted on human brain MRS at 3T and mouse brain MRS at 16.4T.

Main Results:

  • The SC technique effectively corrected significant frequency and phase drifts, even at low SNR levels.
  • SC demonstrated comparable mean square error to other methods but with substantially faster processing.
  • Successful demonstration on human and mouse brain MRS data, including a challenging small ROI dataset.

Conclusions:

  • A fast, robust, and accurate method for correcting frequency and phase shifts in MRS data was developed.
  • The SC technique offers a significant improvement for MRS data preprocessing.