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Related Concept Videos

Atomic Nuclei: Magnetic Resonance01:05

Atomic Nuclei: Magnetic Resonance

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The number of nuclear spins aligned in the lower energy state is slightly greater than those in the higher energy state. In the presence of an external magnetic field, as the spins precess at the Larmor frequency, the excess population results in a net magnetization oriented along the z axis. When a pulse or a short burst of radio waves at the Larmor frequency is applied along the x axis, the coupling of frequencies causes resonance and flips the nuclear spins of the excess population from the...
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Atomic Nuclei: Nuclear Relaxation Processes01:23

Atomic Nuclei: Nuclear Relaxation Processes

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In the absence of an external magnetic field, nuclear spin states are degenerate and randomly oriented. When a magnetic field is applied, the spins begin to precess and orient themselves along (lower energy) or against (higher energy) the direction of the field. At equilibrium, a slight excess population of spins exists in the lower energy state. Because the direction of the magnetic field is fixed as the z-axis,  the precessing magnetic moments are randomly oriented around the z-axis.
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Nuclear Magnetic Resonance (NMR): Overview01:07

Nuclear Magnetic Resonance (NMR): Overview

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Nuclear magnetic resonance (NMR) is a phenomenon exhibited by certain nuclei that can absorb characteristic radio frequency radiation under certain conditions. NMR has been extensively applied in molecular spectroscopy and medical diagnostic imaging. In both these applications, the molecule or subject under study is placed in a magnetic field and irradiated with radio frequency energy.
NMR spectroscopy generates a spectrum where the characteristic absorption frequencies of the sample are...
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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...
831
Atomic Nuclei: Nuclear Spin State Overview01:03

Atomic Nuclei: Nuclear Spin State Overview

2.1K
NMR-active nuclei have energy levels called 'spin states' that are associated with the orientations of their nuclear magnetic moments. In the absence of a magnetic field, the nuclear magnetic moments are randomly oriented, and the spin states are degenerate. When an external magnetic field is applied, the spin states have only 2 + 1 orientations available to them. A proton with = ½ has two available orientations. Similarly, for a quadrupolar nucleus with a nuclear spin value of one, the...
2.1K
Atomic Nuclei: Nuclear Magnetic Moment00:59

Atomic Nuclei: Nuclear Magnetic Moment

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All atomic nuclei are positively charged. When they have a nonzero spin, they behave like rotating charges. As a consequence of their charge and spin, these nuclei generate a magnetic field (B). This, in turn, gives rise to a magnetic moment (μ), which is randomly oriented in the absence of an external magnetic field. When an external magnetic field (B0) is applied, the magnetic moment vectors can align with the field or against it in 2 + 1 orientations. A hydrogen nucleus, which is just a...
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Updated: Mar 13, 2026

Paramagnetic Relaxation Enhancement for Detecting and Characterizing Self-Associations of Intrinsically Disordered Proteins
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Paramagnetic Relaxation Enhancement for Detecting and Characterizing Self-Associations of Intrinsically Disordered Proteins

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Autonomous driving in NMR.

Manuel Perez1

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

Magnetic Resonance in Chemistry : MRC
|October 28, 2016
PubMed
Summary
This summary is machine-generated.

Automating Nuclear Magnetic Resonance (NMR) data analysis is crucial for modern labs. Integrating NMR with other techniques like Mass Spectrometry (MS) via automated databases enhances data interpretation and efficiency.

Keywords:
CASENMR automationanalytical databasesautomatic assignmentsautomatic reprocessingautomatic verification

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Area of Science:

  • Analytical Chemistry
  • Computational Chemistry

Background:

  • The automation of analytical techniques, including Nuclear Magnetic Resonance (NMR) spectroscopy, has been a long-standing goal.
  • Advances in hardware, pulse sequences, and automation have increased the demand for efficient data processing in NMR.
  • Laboratories often utilize multiple analytical instruments, necessitating integrated data analysis approaches.

Purpose of the Study:

  • To highlight the growing need for automated data analysis in NMR spectroscopy.
  • To emphasize the importance of integrating data from complementary techniques like NMR and Mass Spectrometry (MS).
  • To discuss the role of databases in enabling automated data aggregation, verification, and elucidation.

Main Methods:

  • Discussion of the challenges and benefits of full automation in NMR data analysis.
  • Exploration of data aggregation and verification using complementary analytical techniques.
  • Conceptualization of database-driven workflows for automated scientific data management.

Main Results:

  • Full automation of NMR data analysis remains a significant challenge.
  • Integrating multiple analytical techniques (e.g., NMR and MS) manually is time-consuming.
  • Automated, database-integrated workflows are essential for efficient data handling.

Conclusions:

  • Automation is vital for handling the increasing volume and complexity of NMR data.
  • Inter-instrument data integration, particularly between NMR and MS, requires automated solutions.
  • The design and classification of analytical data within databases are critical for implementing effective automated workflows.