Quick temperature-sweep pure-shift NMR: the case of solvent effects in atorvastatin.

Phys Chem Chem Phys

Centre of New Technologies, University of Warsaw, Banacha 2C, 02-097 Warsaw, Poland.

Published: September 2019

AI Article Synopsis

  • Pure-shift NMR experiments yield highly resolved spectra, ideal for tracking changes in chemical shifts due to factors like temperature or concentration.
  • Despite their advantages, these experiments suffer from low sensitivity and time-consuming sampling, resulting in lengthy experimental processes.
  • The paper introduces a novel NMR method that enhances the speed and sensitivity of pseudo-two-dimensional pure-shift experiments, demonstrated through a variable-temperature study of atorvastatin, confirming the method's effectiveness in validating theoretical predictions on solvent influences.

Article Abstract

Pure-shift NMR experiments provide highly resolved spectra, which could be perfect for precise monitoring of chemical shift variations under different conditions, such as temperature or concentration. However, their sensitivity is relatively low and signal sampling is time-consuming, which leads to long experimental times, making such serial acquisition problematic. In this paper we present a new method of NMR spectroscopy which improves the speed and sensitivity of serial pseudo-two-dimensional pure-shift experiments. The example of variable-temperature study of atorvastatin reveals the potential of the method in verifying the theoretical predictions of solvent-dependent spectral effects.

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http://dx.doi.org/10.1039/c9cp03921jDOI Listing

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