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High‐resolution 2‐D NMR spectroscopy based on the Radon transform and pure shift technique for studying chemical shifts perturbations
Author(s) -
Chen Jinyong,
Zeng Qing,
Tian Dan,
Lin Yanqin,
Chen Zhong
Publication year - 2021
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.5000
Subject(s) - chemistry , chemical shift , spectral line , spectroscopy , decoupling (probability) , resolution (logic) , analytical chemistry (journal) , projection (relational algebra) , nuclear magnetic resonance spectroscopy , nuclear magnetic resonance , physics , algorithm , stereochemistry , organic chemistry , quantum mechanics , artificial intelligence , computer science , astronomy , control engineering , engineering
Chemical shift plays an important role in molecular analysis. However, chemical shifts are influenced by temperature, solvent concentration, pressure, and so forth. Therefore, measuring chemical shift perturbations caused by these factors is helpful to molecular studies. A new form of 2‐D spectroscopy (projection spectroscopy) has been introduced whose indirect dimension is derived by implementing the Radon transform on a series of conventional 1‐D proton spectra and indicates such perturbations. However, signal overlap may exist in the conventional 1‐D spectra and hence in the resulting projection spectra, hampering clear multiplet analysis and accurate extraction of perturbations. Here, the pure shift decoupling technique is employed to obtain clearer projection spectrum with higher spectral resolution. The combination of pure shift technique and the Radon transform is helpful to accurately extract chemical shift perturbations. It is believed that this application will open up a vast prospect for molecular analysis.