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1996•Concepts in Magnetic ResonanceRequires access

Relaxation analysis of 2D NOE in macromolecules

Vladimir A. Likić

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Abstract

Two-dimensional nuclear Overhauser effect (2D NOE) spectroscopy is a well-established technique for the study of complex molecules in solution. Relaxation analysis of 2D NOE spectra yields cross-relaxation rates, which, when combined with a motional model, provide distance constraints for the purpose of structure determination. This paper presents fundamental concepts of the relaxation analysis explicitly, by treating simple model systems. Initial slope approximation and relaxation matrix analysis, two methods routinely used for the extraction of cross-relaxation rates, are rationalized. Conditions that can cause these methods to fail are discussed. © 1996 John Wiley & Sons, Inc.

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What this paper is about

Two-dimensional nuclear Overhauser effect (2D NOE) spectroscopy is a well-established technique for the study of complex molecules in solution. Relaxation analysis of 2D NOE spectra yields cross-relaxation rates, which, when combined with a motional model, provide distance constraints for the purpose of structure determination. This paper presents fundamental concepts of the relaxation analysis explicitly, by treating simple model systems. Initial slope approximation and relaxation matrix analysis, two methods routinely used for the extraction of cross-relaxation rates, are rationalized. Conditions that can cause these methods to fail are discussed. © 1996 John Wiley & Sons, Inc.

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Available abstract

Two-dimensional nuclear Overhauser effect (2D NOE) spectroscopy is a well-established technique for the study of complex molecules in solution. Relaxation analysis of 2D NOE spectra yields cross-relaxation rates, which, when combined with a motional model, provide distance constraints for the purpose of structure determination. This paper presents fundamental concepts of the relaxation analysis explicitly, by treating simple model systems. Initial slope approximation and relaxation matrix analysis, two methods routinely used for the extraction of cross-relaxation rates, are rationalized. Conditions that can cause these methods to fail are discussed. © 1996 John Wiley & Sons, Inc.

Key concepts: Relaxation (psychology), Nuclear Overhauser effect, Macromolecule, Chemistry, Statistical physics, Matrix (chemical analysis), Spectroscopy, Nuclear magnetic resonance

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