Abstract

Introduction

Technological advancements enabled the analyses of limited sample volumes on 1H NMR. Manual spectral profiling of the data is, however, complex, and timely.

Objective

To evaluate the performance of BAYESIL for automated identification and quantification of 1H NMR spectra of limited volume samples.

Method

Aliquots of a pooled African elephant serum sample were analyzed using standard and reduced volumes. Performance was evaluated on confidence scores, non-detects and laboratory CV.

Results

Of the 47 compounds detected, 28 had favorable performances. The approach could differentiate samples based on biological variation.

Conclusions

BAYESIL is valuable for limited sample 1H NMR data analyses.

Details

Title
Evaluation of BAYESIL for automated annotation of 1H NMR data using limited sample volumes: application to African elephant serum
Author
van Zyl, Christiaan De Wet 1   VIAFID ORCID Logo  ; van Reenen, Mari 1   VIAFID ORCID Logo  ; Osthoff, Gernot 2   VIAFID ORCID Logo  ; du Preez, Ilse 1   VIAFID ORCID Logo 

1  North-West University, Centre for Human Metabolomics, Potchefstroom, South Africa (GRID:grid.25881.36) (ISNI:0000 0000 9769 2525) 
2  University of the Free State, Department of Microbiology and Biochemistry, Bloemfontein, South Africa (GRID:grid.412219.d) (ISNI:0000 0001 2284 638X) 
Pages
31
Publication year
2023
Publication date
Apr 2023
Publisher
Springer Nature B.V.
ISSN
15733882
e-ISSN
15733890
Source type
Scholarly Journal
Language of publication
English
DOI
https://doi.org/10.1007/s11306-023-02001-1
ProQuest document ID
2792727236
Copyright
© The Author(s) 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.