Publication

Toward automated assignment of nuclear magnetic resonance spectra: pattern recognition in two-dimensional correlation spectra

Geoffrey Bodenhausen
1985
Journal Articles

Abstract

Computer anal. of the multiplet structure of cross peaks in phase-sensitive 2-dimensional NMR correlation spectra allows one to trace out networks of coupled spins, to measure the magnitudes and signs of the scalar coupling consts., and to det. the no. of magnetically equiv. spins at each site. Applications to mixts. of smallmols. show that pattern recognition is feasible even if the signal-to-noise ratio is low, if the multiplets are barely resolved, or if the patterns are partly disguised because of accidentally overlapping cross peaks. [on SciFinder (R)]

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https://infoscience.epfl.ch/entities/publication/4f9e708e-3496-49ce-a5bc-b3f8c96fb308

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Geoffrey Bodenhausen
1985
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/4f9e708e-3496-49ce-a5bc-b3f8c96fb308

About this result

Related concepts (21)

Two-dimensional nuclear magnetic resonance spectroscopy

Two-dimensional nuclear magnetic resonance spectroscopy (2D NMR) is a set of nuclear magnetic resonance spectroscopy (NMR) methods which give data plotted in a space defined by two frequency axes rather than one. Types of 2D NMR include correlation spectroscopy (COSY), J-spectroscopy, exchange spectroscopy (EXSY), and nuclear Overhauser effect spectroscopy (NOESY). Two-dimensional NMR spectra provide more information about a molecule than one-dimensional NMR spectra and are especially useful in determining the structure of a molecule, particularly for molecules that are too complicated to work with using one-dimensional NMR.

Nuclear magnetic resonance spectroscopy

Nuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy or magnetic resonance spectroscopy (MRS), is a spectroscopic technique to observe local magnetic fields around atomic nuclei. This spectroscopy is based on the measurement of absorption of electromagnetic radiations in the radio frequency region from roughly 4 to 900 MHz. Absorption of radio waves in the presence of magnetic field is accompanied by a special type of nuclear transition, and for this reason, such type of spectroscopy is known as Nuclear Magnetic Resonance Spectroscopy.

Signal-to-noise ratio

Signal-to-noise ratio (SNR or S/N) is a measure used in science and engineering that compares the level of a desired signal to the level of background noise. SNR is defined as the ratio of signal power to noise power, often expressed in decibels. A ratio higher than 1:1 (greater than 0 dB) indicates more signal than noise. SNR is an important parameter that affects the performance and quality of systems that process or transmit signals, such as communication systems, audio systems, radar systems, imaging systems, and data acquisition systems.

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Toward automated assignment of nuclear magnetic resonance spectra: pattern recognition in two-dimensional correlation spectra

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