NMRium: Teaching nuclear magnetic resonance spectra interpretation in an online platform

Luc Patiny; Hamed Musallam; Alejandro Bolaños; Michaël Zasso; Julien Wist; Metin Karayilan; Eva Ziegler; Johannes C Liermann; Nils E Schlörer

doi:10.3762/bjoc.20.4

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NMRium: Teaching nuclear magnetic resonance spectra interpretation in an online platform

Journal article

Open access

Peer reviewed

NMRium: Teaching nuclear magnetic resonance spectra interpretation in an online platform

Luc Patiny, Hamed Musallam, Alejandro Bolaños, Michaël Zasso, Julien Wist, Metin Karayilan, Eva Ziegler, Johannes C Liermann and Nils E Schlörer

Beilstein journal of organic chemistry, Vol.20, pp.25-31

2024

DOI: https://doi.org/10.3762/bjoc.20.4

PMID: 38213841

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Abstract

E-learning

NMR

NMR spectra

structure elucidation

chemical education

NMRium is the first web-based software that allows displaying, processing, interpretation, and teaching of 1D and 2D NMR data in a user-friendly interface. It can import the most common data formats (e.g., JCAMP-DX, Bruker, Varian, and Jeol). While the scope for the use of NMRium encompasses a variety of applications such as being a component in data repositories or electronic lab notebooks (ELN), performing structure elucidation or preparing raw spectral data for publication, it also excels in enhancing teaching of NMR interpretation. In this paper, we present some current possibilities of this new tool. Several series of exercises are already provided on https://www.nmrium.org/teaching.

Details

Title: NMRium: Teaching nuclear magnetic resonance spectra interpretation in an online platform
Authors/Creators: Luc Patiny - Zakodium Sàrl, Route d'Echandens 6b, 1027 Lonay, Switzerland
Hamed Musallam - Schiller (France)
Alejandro Bolaños - Universidad del Valle
Michaël Zasso - Zakodium Sàrl, Route d'Echandens 6b, 1027 Lonay, Switzerland
Julien Wist - Murdoch University
Metin Karayilan - Case Western Reserve University
Eva Ziegler - Department of Chemistry, Johannes Gutenberg University Mainz, 55099 Mainz, Germany
Johannes C Liermann - Department of Chemistry, Johannes Gutenberg University Mainz, 55099 Mainz, Germany
Nils E Schlörer - Schiller (France)
Publication Details: Beilstein journal of organic chemistry, Vol.20, pp.25-31
Publisher: Beilstein-Institut.
Identifiers: 991005626167607891
Murdoch Affiliation: Centre for Computational and Systems Medicine
Language: English
Resource Type: Journal article

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Collaboration types: Domestic collaboration; International collaboration
Citation topics: 2 Chemistry; 2.123 Protein Stucture, Folding & Modelling; 2.123.248 Solid-State NMR
Web Of Science research areas: Chemistry, Organic
ESI research areas: Chemistry