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Related Concept Videos

NMR Spectrometers: Resolution and Error Correction01:14

NMR Spectrometers: Resolution and Error Correction

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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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Double Resonance Techniques: Overview01:12

Double Resonance Techniques: Overview

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Double resonance techniques in Nuclear Magnetic Resonance (NMR) spectroscopy involve the simultaneous application of two different frequencies or radiofrequency pulses to manipulate and observe two distinct nuclear spins. One important application of double resonance is spin decoupling, which selectively suppresses coupling with one type of nucleus while observing the NMR signal from another nucleus, simplifying the spectrum and enhancing resolution.
Spin decoupling is usually achieved by...
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¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)01:20

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

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When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...
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¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

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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...
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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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NMR Spectrometers: Radiofrequency Pulses and Pulse Sequences01:17

NMR Spectrometers: Radiofrequency Pulses and Pulse Sequences

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A pulse is a short burst of radio waves distributed over a range of frequencies that simultaneously excites all the nuclei in the sample. Upon passing a radio frequency pulse along the x-axis, the nuclei absorb energy corresponding to their Larmor frequencies and achieve resonance. This shifts the net magnetization vector from the z-axis toward the transverse plane. This angle of rotation of the magnetization vector, or the flip angle, is proportional to the duration and intensity of the pulse.
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NMR Spectroscopy as a Robust Tool for the Rapid Evaluation of the Lipid Profile of Fish Oil Supplements
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A robust, general automatic phase correction algorithm for high-resolution NMR data.

Vadim Zorin1, Michael A Bernstein1, Carlos Cobas1

  • 1Mestrelab Research, S.L. Feliciano Barrera 9B - Bajo, 15706, Santiago de Compostela, Spain.

Magnetic Resonance in Chemistry : MRC
|February 21, 2017
PubMed
Summary
This summary is machine-generated.

A new algorithm for automatic phase correction of Nuclear Magnetic Resonance (NMR) spectra ensures reliable and accurate automated processing. This method enhances downstream data analysis for a wide range of NMR applications.

Keywords:
NMRalgorithmautomatic processinghigh throughputphase correctionqNMR

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Area of Science:

  • Analytical Chemistry
  • Spectroscopy
  • Data Science

Background:

  • Increasing demand for rapid Nuclear Magnetic Resonance (NMR) data acquisition and automated analysis necessitates robust data processing software.
  • Automated NMR spectrum analysis by less experienced users requires highly accurate and reliable processing algorithms.
  • Poor spectral processing significantly compromises downstream data analysis, highlighting the need for improved automated methods.

Purpose of the Study:

  • To introduce a novel algorithm for automatic phase correction of frequency-domain, high-resolution NMR spectra.
  • To demonstrate the reliability and wide-ranging applicability of this new phase correction method.

Main Methods:

  • Development of a new algorithm specifically for automatic phase correction.
  • Testing the algorithm's performance on NMR data from diverse and typical experimental setups.

Main Results:

  • The developed algorithm demonstrates high reliability across various NMR data types.
  • The method is effective for automatic phase correction in automated NMR spectral processing.

Conclusions:

  • The new phase correction algorithm is suitable for widespread application in automated NMR spectral processing.
  • This method is expected to positively impact the accuracy and efficiency of automated NMR data analysis.