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NMR Spectrometers: Overview

NMR Spectrometers: Overview

NMR spectrometers consist of a strong magnet, a radiofrequency transmitter, and a detector attached to a computer console for recording spectra of samples containing NMR-active nuclei. In first-generation NMR instruments called continuous-wave spectrometers, the resonance frequencies of the nuclei are determined by frequency-sweep or field-sweep methods. The magnetic field strength is fixed and the rf signal is swept in the former, while the radiofrequency signal is fixed and the magnetic field...

NMR Spectroscopy of Aromatic Compounds

NMR Spectroscopy of Aromatic Compounds

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.

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Related Experiment Video

Updated: Dec 22, 2025

Investigating Protein Sequence-structure-dynamics Relationships with Bio3D-web

Investigating Protein Sequence-structure-dynamics Relationships with Bio3D-web

Published on: July 16, 2017

ARIAweb: a server for automated NMR structure calculation.

Fabrice Allain¹, Fabien Mareuil², Hervé Ménager²

¹Structural Bioinformatics Unit, Department of Structural Biology and Chemistry, CNRS UMR 3528, Institut Pasteur, Paris, 75015, France.

Nucleic Acids Research

|May 9, 2020

Summary

This summary is machine-generated.

Nuclear magnetic resonance (NMR) spectroscopy aids macromolecule structure determination. ARIAweb offers a user-friendly online interface for automated NMR data assignment and 3D structure calculation, enhancing accessibility.

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Area of Science:

Biophysics and structural biology
Computational chemistry
Biochemistry

Background:

Nuclear magnetic resonance (NMR) spectroscopy is a key technique for elucidating macromolecule dynamics and atomic structures in solution.
The ARIA (Ambiguous Restraints for Iterative Assignment) software is a widely used tool for automated NOE assignment and structure calculation in NMR.
Existing tools often require specialized expertise, limiting broader accessibility for NMR data analysis.

Purpose of the Study:

To develop a transparent and user-friendly online service for ARIA.
To integrate data conversion, structure calculation, and visualization into a single platform.
To make advanced NMR structure calculation accessible to a wider scientific audience.

Main Methods:

Development of a web-based graphical user interface (GUI) for the ARIA software.
Integration of automated nuclear Overhauser enhancement (NOE) data assignment algorithms.
Implementation of 3D structure calculation and interactive visualization tools.
Ensuring seamless data input, processing, and output management.

Main Results:

ARIAweb provides a comprehensive online platform for ARIA, incorporating data conversion, automated assignment, and structure calculation.
The web interface simplifies the setup and execution of complex NMR structure determination workflows.
Interactive visualization of generated 3D structures is integrated, facilitating data interpretation.

Conclusions:

ARIAweb significantly enhances the accessibility and usability of ARIA for NMR structure determination.
The integrated online service streamlines the process from raw data to 3D structural models.
This platform democratizes advanced computational methods in structural biology.