TReNDS—Software for reaction monitoring with time-resolved non-uniform sampling |
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Authors: | Mateusz Urbańczyk Alexandra Shchukina Dariusz Gołowicz Krzysztof Kazimierczuk |
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Institution: | 1. Centre of New Technologies, University of Warsaw, Warsaw, Poland;2. Centre of New Technologies, University of Warsaw, Warsaw, Poland
Faculty of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Warsaw, Poland |
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Abstract: | NMR spectroscopy, used routinely for structure elucidation, has also become a widely applied tool for process and reaction monitoring. However, the most informative of NMR methods—correlation experiments—are often useless in this kind of applications. The traditional sampling of a multidimensional FID is usually time-consuming, and thus, the reaction-monitoring toolbox was practically limited to 1D experiments (with rare exceptions, e.g., single-scan or fast-sampling experiments). Recently, the technique of time-resolved non-uniform sampling (TR-NUS) has been proposed, which allows to use standard multidimensional pulse sequences preserving the temporal resolution close to that achievable in 1D experiments. However, the method existed only as a prototype and did not allow on-the-fly processing during the reaction. In this paper, we introduce TReNDS: free, user-friendly software kit for acquisition and processing of TR-NUS data. The program works on Bruker, Agilent, and Magritek spectrometers, allowing to carry out up to four experiments with interleaved TR-NUS. The performance of the program is demonstrated on the example of enzymatic hydrolysis of sucrose. |
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Keywords: | compressed sensing non-uniform sampling reaction monitoring time-resolved N-dimensional spectroscopy |
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