The Value of Universally Available Raw NMR Data for Transparency, Reproducibility, and Integrity in Natural Product Research

Authors

James B. McAlpine, The University of Illinois at Chicago
Shao-Nong Chen, The University of Illinois at Chicago
Andrei G. Kutateladze, University of DenverFollow
John B. MacMillan, University of California, Santa Cruz
Giovanni Appendino, Universita` del Piemonte Orientale
Andersson Barison, Federal University of Paraná
Mehdi A. Beniddir, Université Paris-Saclay
Maique W. Biavatti, Federal University of Santa Catarina
Stefan Bluml, University of Southern California
Asmaa Boufridi, Griffith University - Australia
Mark S. Butler, The University of Queensland, Australia
Robert J. Capon, The University of Queensland, Australia
Young H. Choi, Leiden University
David Coppage, University of California, Santa Cruz
Phillip Crews, University of California, Santa Cruz
Michael T. Crimmins, University of North Carolina at Chapel Hill
Marie Csete, University of Southern California
Pradeep Dewapriya, The University of Queensland, Australia
Joseph M. Egan, Simon Fraser University
Mary J. Garson, University of Queensland
Grégory Genta-Jouve, Paris-Descartes University
William H. Gerwick, University of California, Scripps Institution of Oceanography
Harald Gross, Eberhard Karls University of Tübingen
Mary Kay Harper, University of Utah
Precilia Hermanto, University of New South Wales
James M. Hook, University of New South Wales
Luke Hunter, University of New South Wales
Damien Jeannerat, University of Geneva
Nai-Yun Ji, Chinese Academy of Sciences
Tyler A. Johnson, University of California, Santa Cruz
David G. I. Kingston, Virginia Polytechnic Institute and State University, Blacksburg
Hiroyuki Koshino, RIKEN Center for Sustainable Resource Science
Hsiau-Wei Lee, University of California, Santa Cruz
Guy Lewin, Université Paris-Saclay
Jie Li, Scripps Institution of Oceanography
Roger G. Linington, Simon Fraser University
Miaomiao Liu, Griffith University - Australia
Kerry L. McPhail, Oregon State University
Tadeusz F. Molinski, University of California - San Diego
Bradley S. Moore, University of California - San Diego
Joo-Won Nam, Yeungnam University
Ram P. Neupane, University of Hawaii at Manoa
Matthias Niemitz, NMR Solutions Limited
Jean-Marc Nuzillard, Université de Reims Champagne-Ardenne
Nicholas H. Oberlies, University of North Carolina at Greensboro
Fernanda M. M. Ocampos, Federal University of Paraná
Guohui Pan, The Scripps Research Institute
Ronald J. Quinn, Griffith University - Australia
D. Sai Reddy, University of Denver
Jean-Hugues Renault, Université de Reims Champagne-Ardenne
José Rivera-Chávez, Universidad Nacional Autónoma de México
Wolfgang Robien, University of Vienna
Carla M. Saunders, University of California, Davis
Thomas J. Schmidt, University of Münster
Christoph Seger, University of Innsbruck
Ben Shen, The Scripps Research Institute
Christoph Steinbeck, Friedrich-Schiller-University
Hermann Stuppner, University of Innsbruck
Sonja Sturm, University of Innsbruck
Orazio Taglialatela-Scafati, Università di Napoli Federico II
Dean J. Tantillo, University of California, Davis
Robert Verpoorte, Leiden University
Bin-Gui Wang, Chinese Academy of Sciences
Craig M. Williams, University of Queensland
Philip G. Williams, University of Hawaii at Manoa
Julien Wist, Universidad del Valle
Jian-Min Yue, Chinese Academy of Sciences
Chen Zhang, University of California
Zhengren Xu, The Scripps Research Institute
Charlotte Simmler, University of Illinois at Chicago
David C. Lankin, University of Illinois at Chicago
Jonathan Bisson, University of Illinois at Chicago
Guido F. Pauli, University of Illinois at Chicago

Publication Date

2019

Document Type

Article

Organizational Units

College of Natual Science and Mathematics, Chemistry and Biochemistry

Keywords

Nuclear magnetic resonance, Natural product

Abstract

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.

Publication Statement

Copyright held by author or publisher. User is responsible for all copyright compliance.

Recommended Citation

McAlpine, J. B., Chen, S.-N., Kutateladze, A., MacMillan, J. B., Appendino, G., Barison, A., . . . Pauli, G. F. (2019). The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research. Natural Product Reports, 36(1), 35-107. DOI: 10.1039/c7np00064b.