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.