The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research

James B McAlpine; Shao-Nong Chen; Andrei Kutateladze; John B MacMillan; Giovanni Appendino; Andersson Barison; Mehdi A. Beniddir; Maique W Biavatti; Stefan Bluml; Asmaa Boufridi; See article text for complete list of remaining 58 authors

doi:10.1039/c7np00064b

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The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research

Journal article

Open access

Peer reviewed

The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research

James B McAlpine, Shao-Nong Chen, Andrei Kutateladze, John B MacMillan, Giovanni Appendino, Andersson Barison, Mehdi A. Beniddir, Maique W Biavatti, Stefan Bluml, Asmaa Boufridi, …

Natural Product Reports, Vol.36(1), pp.35-107

2019

DOI: https://doi.org/10.1039/c7np00064b

PMID: 30003207

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Abstract

Analytical chemistry

Covering up to : 2018. With contributions from the global natural product (NP) research community, and continuing the Raw Data Initiative, this review collects a comprehensive demonstration of the immense scientific value of disseminating raw nuclear magnetic resonance (NMR) data, independently of, and in parallel with, classical publishing outlets. A comprehensive compilation of historic to present-day cases as well as contemporary and future applications show that addressing the urgent need for a repository of publicly accessible raw NMR data has the potential to transform natural products (NPs) and associated fields of chemical and biomedical research. The call for advancing open sharing mechanisms for raw data is intended to enhance the transparency of experimental protocols, augment the reproducibility of reported outcomes, including biological studies, become a regular component of responsible research, and thereby enrich the integrity of NP research and related fields.

Details

Title: The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research
Authors: James B McAlpine (Author) - University of Illinois Chicago
Shao-Nong Chen (Author) - University of Illinois Chicago
Andrei Kutateladze (Author) - University of Denver
John B MacMillan (Author) - University of California, Santa Cruz
Giovanni Appendino (Author) - Università degli Studi del Piemonte Orientale “Amedeo Avogadro”
Andersson Barison (Author) - Universidade Federal do Paraná
Mehdi A. Beniddir (Author) - Université Paris-Saclay
Maique W Biavatti (Author) - Universidade Federal de Santa Catarina
Stefan Bluml (Author) - University of Southern California
Asmaa Boufridi (Author) - Griffith University
See article text for complete list of remaining 58 authors (Author)
Publication details: Natural Product Reports, Vol.36(1), pp.35-107
Publisher: Royal Society of Chemistry
Date published: 2019
DOI: 10.1039/c7np00064b
ISSN: 1460-4752
PMID: 30003207
Copyright note: This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Organisation Unit: School of Health - Biomedicine; School of Science, Technology and Engineering; Centre for Bioinnovation
Language: English
Record Identifier: 99650997802621
Output Type: Journal article

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Collaboration types: Domestic collaboration; International collaboration
Web Of Science research areas: Biochemistry & Molecular Biology; Chemistry, Medicinal; Chemistry, Organic

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