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The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research.
Natural Sciences and Mathematics | Faculty Scholarship
  • James B. McAlpine, Center for Natural Product Technologies, University of Illinois at Chicago
  • Shao-Nong Chen, Center for Natural Product Technologies, University of Illinois at Chicago
  • Andrei Kutateladze, Department of Chemistry and Biochemistry, University of Denver
  • John B. MacMillan, Department of Chemistry and Biochemistry, University of California, Santa Cruz
  • Giovanni Appendino, Dipartimento di Scienze Chimiche, Alimentari, Farmaceutiche e Farmacologiche, Universita` del Piemonte Orientale
  • Andersson Barison, NMR Center, Federal University of Paraná
  • Mehdi A. Beniddir, Équipe “Pharmacognosie-Chimie des Substances Naturelles” BioCIS, Univ. Paris-Sud, CNRS, Université Paris-Saclay
  • Maique W. Biavatti, Department of Pharmaceutical Sciences, Federal University of Santa Catarina
  • Stefan Bluml, Keck School of Medicine, University of Southern California
  • Asmaa Boufridi, Griffith Institute for Drug Discovery, Griffith University
  • Mark S. Butler, Institute for Molecular Bioscience, The University of Queensland
  • Robert J. Capon, Institute for Molecular Bioscience, The University of Queensland
  • Young H. Choi, Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University
  • David Coppage, Department of Chemistry and Biochemistry, University of California, Santa Cruz
  • Phillip Crews, University of California, Santa Cruz
  • Michael T. Crimmins, Kenan and Caudill Laboratories of Chemistry, University of North Carolina at Chapel Hill
  • Marie Csete, Huntington Medical Research Institutes, University of Southern California
  • Pradeep Dewapriya, Institute for Molecular Bioscience, The University of Queensland
  • Joseph M. Egan, Department of Chemistry, Simon Fraser University
  • Mary J Garson, School of Chemistry and Molecular Sciences, University of Queensland
  • Grégory Genta-Jouve, C-TAC, UMR 8638 CNRS, Faculté de Pharmacie de Paris, Paris-Descartes University
  • William H Gerwick, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California
  • Harald Gross, Pharmaceutical Institute, Department of Pharmaceutical Biology, Eberhard Karls University of Tübingen
  • Mary Kay Harper, Department of Medicinal Chemistry, University of Utah
  • Precilia Hermanto, NMR Facility, Mark Wainwright Analytical Centre, University of New South Wales
  • James M. Hook, NMR Facility, Mark Wainwright Analytical Centre, University of New South Wales
  • Luke Hunter, NMR Facility, Mark Wainwright Analytical Centre, University of New South Wales
  • Damien Jeannerat, Department of Organic Chemistry, University of Geneva
  • Nai-Yun Ji, Yantai Institute of Coastal Zone Research, Chinese Academy of Sciences
  • Tyler A. Johnson, Department of Chemistry and Biochemistry, University of California, Santa Cruz
  • David G. I. Kingston, Department of Chemistry, M/C 0212, Virginia Polytechnic Institute and State University
  • Hiroyuki Koshino, Department of Chemistry, M/C 0212, Virginia Polytechnic Institute and State University
  • Hsiau-Wei Lee, Department of Chemistry and Biochemistry, University of California, Santa Cruz
  • Guy Lewin, Équipe “Pharmacognosie-Chimie des Substances Naturelles” BioCIS, Univ. Paris-Sud, CNRS, Université Paris-Saclay
  • Jie Li, Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography
  • Roger G Linington, Department of Chemistry, Simon Fraser University
  • Miaomiao Liu, Griffith Institute for Drug Discovery, Griffith University
  • Kerry L McPhail, Department of Pharmaceutical Sciences, College of Pharmacy, Oregon State University
  • Tadeusz F Molinski, Department of Chemistry and Biochemistry and Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego
  • Bradley S Moore, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, La Jolla
  • Joo-Won Nam, College of Pharmacy, Yeungnam University
  • Ram P Neupane, Department of Chemistry, University of Hawaii at Manoa
  • Matthias Niemitz, NMR Solutions Limited
  • Jean-Marc Nuzillard, FRE CNRS 2715, IFR 53, Université de Reims Champagne-Ardenne
  • Nicholas H Oberlies, Department of Chemistry and Biochemistry, University of North Carolina at Greensboro
  • Fernanda M M Ocampos, NMR Center, Federal University of Paraná
  • Guohui Pan, Department of Chemistry, Department of Molecular Medicine, and Natural Products Library Initiative at the Scripps Research Institute
  • Ronald J Quinn, Kenan and Caudill Laboratories of Chemistry, University of North Carolina at Chapel Hill
  • D Sai Reddy, Department of Chemistry and Biochemistry, University of Denver
  • Jean-Hugues Renault, FRE CNRS 2715, IFR 53, Université de Reims Champagne-Ardenne
  • José Rivera-Chávez, Instituto de Química, Universidad Nacional Autónoma de México, Ciudad de México
  • Wolfgang Robien, Department of Organic Chemistry, University of Vienna
  • Carla M Saunders, Department of Chemistry, University of California, Davis
  • Thomas J Schmidt, Institute of Pharmaceutical Biology and Phytochemistry (IPBP), University of Münster
  • Christoph Seger, Institute of Pharmacy, Pharmacognosy, Member of CMBI, University of Innsbruck,
  • Ben Shen, Department of Chemistry, Department of Molecular Medicine, and Natural Products Library Initiative at the Scripps Research Institute
  • Christoph Steinbeck
  • Hermann Stuppner, Institute of Pharmacy, Pharmacognosy, Member of CMBI, University of Innsbruck,
  • Sonja Sturm, Institute of Pharmacy, Pharmacognosy, Member of CMBI, University of Innsbruck,
  • Orazio Taglialatela-Scafati, Dipartimento di Farmacia, Università; di Napoli Federico II
  • Dean J Tantillo, Department of Chemistry, University of California, Davis
  • Robert Verpoorte
  • Bin-Gui Wang, Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University
  • Craig M Williams, School of Chemistry and Molecular Sciences, University of Queensland
  • Philip G Williams, Department of Chemistry, University of Hawaii at Manoa
  • Julien Wist, Departamento de Química, Universidad del Valle
  • Jian-Min Yue, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences
  • Chen Zhang, Department of Nanoengineering, University of California, La Jolla
  • Zhengren Xu, Department of Chemistry, Department of Molecular Medicine, and Natural Products Library Initiative at the Scripps Research Institute
  • Charlotte Simmler, Center for Natural Product Technologies, University of Illinois at Chicago
  • David C Lankin, Center for Natural Product Technologies, University of Illinois at Chicago
  • Jonathan Bisson, Center for Natural Product Technologies, University of Illinois at Chicago
  • Guido F Pauli, Center for Natural Product Technologies, University of Illinois at Chicago
Department
Natural Sciences and Mathematics
Document Type
Article
Source
Natural Product Reports
Publication Date
1-1-2019
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.

PubMed ID
30003207
Creative Commons License
Creative Commons Attribution 3.0
Citation Information
James B. McAlpine, Shao-Nong Chen, Andrei Kutateladze, John B. MacMillan, et al.. "The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research." Vol. 36 Iss. 1 (2019) p. 35 - 107 ISSN: 1460-4752
Available at: http://works.bepress.com/tyler-a-johnson/15/