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Universally Quantitative Band-Selective Pure Shift NMR Spectroscopy

H. Foster, Mathias Nilsson, Ralph W. Adams, Gareth A. Morris

2024Analytical Chemistry15 citationsDOIOpen Access PDF

Abstract

High Resolution Image Download MS PowerPoint Slide NMR spectroscopy is often described as a quantitative analytical technique. Strictly, only the simple pulse-acquire experiment is universally quantitative, but the poor signal resolution of the 1 H NMR pulse-acquie experiment frequently complicates quantitative analysis. Pure shift NMR techniques provide higher resolution, by reducing signal overlap, but they are susceptible to a variety of sources of site-dependent signal loss. Here, we introduce a new method that corrects for signal loss from such sources in band-selective pure shift NMR experiments, by performing different numbers of iterations of the same pulse sequence elements before acquisition to allow extrapolation back to the loss-free signal. We apply this method to both interferogram and semi-realtime acquisition modes, obtaining integrals within 1% of those acquired from a pulse-acquire experiment for a three-component mixture.

Topics & Concepts

ChemistryPulse sequenceSIGNAL (programming language)ExtrapolationPulse (music)Nuclear magnetic resonance spectroscopyResolution (logic)SpectroscopyAnalytical Chemistry (journal)Biological systemNuclear magnetic resonanceComputational physicsOpticsArtificial intelligencePhysicsComputer scienceChromatographyStatisticsStereochemistryQuantum mechanicsProgramming languageBiologyMathematicsDetectorNMR spectroscopy and applicationsAdvanced NMR Techniques and ApplicationsAdvanced MRI Techniques and Applications
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