University of Oulu

Urbańczyk M, Shchukina A, Gołowicz D, Kazimierczuk K. TReNDS—Software for reaction monitoring with time‐resolved non‐uniform sampling. Magn Reson Chem. 2019;57:4–12. https://doi.org/10.1002/mrc.4796

TReNDS — software for reaction monitoring with time‐resolved non‐uniform sampling

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Author: Urbańczyk, Mateusz1,2,3; Shchukina, Alexandra1; Gołowicz, Dariusz1,4;
Organizations: 1Centre of New Technologies, University of Warsaw
2Spektrino Sp. z o.o.
3NMR Research Unit, University of Oulu
4Faculty of Chemistry, Biological and Chemical Research Centre, University of Warsaw
Format: article
Version: accepted version
Access: embargoed
Persistent link: http://urn.fi/urn:nbn:fi-fe2018121951302
Language: English
Published: John Wiley & Sons, 2018
Publish Date: 2019-09-25
Description:

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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Series: Magnetic resonance in chemistry
ISSN: 0749-1581
ISSN-E: 1097-458X
ISSN-L: 0749-1581
Volume: 57
Issue: 1
Pages: 4 - 12
DOI: 10.1002/mrc.4796
OADOI: https://oadoi.org/10.1002/mrc.4796
Type of Publication: A1 Journal article – refereed
Field of Science: 114 Physical sciences
116 Chemical sciences
Subjects:
Funding: Authors thank National Science Centre for the support with OPUS Grant 2015/17/B/ST4/04221. MU acknowledges financial support from the Kvantum Institute (University of Oulu).
Copyright information: © 2018 John Wiley & Sons, Ltd. This is the peer reviewed version of the following article: Urbańczyk M, Shchukina A, Gołowicz D, Kazimierczuk K. TReNDS—Software for reaction monitoring with time‐resolved non‐uniform sampling. Magn Reson Chem. 2019;57:4–12, which has been published in final form at https://doi.org/10.1002/mrc.4796. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.