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Title: Reducing acquisition times in multidimensional NMR with a time-optimized Fourier encoding algorithm

Speeding up the acquisition of multidimensional nuclear magnetic resonance (NMR) spectra is an important topic in contemporary NMR, with central roles in high-throughput investigations and analyses of marginally stable samples. A variety of fast NMR techniques have been developed, including methods based on non-uniform sampling and Hadamard encoding, that overcome the long sampling times inherent to schemes based on fast-Fourier-transform (FFT) methods. Here, we explore the potential of an alternative fast acquisition method that leverages a priori knowledge, to tailor polychromatic pulses and customized time delays for an efficient Fourier encoding of the indirect domain of an NMR experiment. By porting the encoding of the indirect-domain to the excitation process, this strategy avoids potential artifacts associated with non-uniform sampling schemes and uses a minimum number of scans equal to the number of resonances present in the indirect dimension. An added convenience is afforded by the fact that a usual 2D FFT can be used to process the generated data. Acquisitions of 2D heteronuclear correlation NMR spectra on quinine and on the anti-inflammatory drug isobutyl propionic phenolic acid illustrate the new method's performance. This method can be readily automated to deal with complex samples such as those occurring in metabolomics, inmore » in-cell as well as in in vivo NMR applications, where speed and temporal stability are often primary concerns.« less
Authors:
 [1] ;  [2] ; ;  [1]
  1. Department of Chemical Physics, Weizmann Institute of Science, Rehovot 76100 (Israel)
  2. (China)
Publication Date:
OSTI Identifier:
22415373
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 19; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ALGORITHMS; DATA ACQUISITION; EXCITATION; FOURIER TRANSFORMATION; IN VIVO; NMR SPECTRA; NUCLEAR MAGNETIC RESONANCE; PHENOLS; PULSES; QUININE; STABILITY