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

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

  • McAlpine JB Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu.
  • Chen SN Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu.
  • Kutateladze A Department of Chemistry and Biochemistry, University of Denver, Denver, CO 80210, USA.
  • MacMillan JB Department of Chemistry and Biochemistry, University of California, Santa Cruz, CA 95064, USA.
  • Appendino G Dipartimento di Scienze Chimiche, Alimentari, Farmaceutiche e Farmacologiche, Universita` del Piemonte Orientale, Via Bovio 6, 28100 Novara, Italy.
  • Barison A NMR Center, Federal University of Paraná, Curitiba, Brazil.
  • Beniddir MA Équipe "Pharmacognosie-Chimie des Substances Naturelles" BioCIS, Univ. Paris-Sud, CNRS, Université Paris-Saclay, 5 rue J.-B. Clément, 92290 Châtenay-Malabry, France.
  • Biavatti MW Department of Pharmaceutical Sciences, Federal University of Santa Catarina, Florianópolis, Brazil.
  • Bluml S University of Southern California, Keck School of Medicine, Los Angeles, CA 90089, USA.
  • Boufridi A Griffith Institute for Drug Discovery, Griffith University, Brisbane, QLD 4111, Australia.
  • Butler MS Institute for Molecular Bioscience, The University of Queensland, St. Lucia, QLD 4072, Australia.
  • Capon RJ Institute for Molecular Bioscience, The University of Queensland, St. Lucia, QLD 4072, Australia.
  • Choi YH Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands.
  • Coppage D Department of Chemistry and Biochemistry, University of California, Santa Cruz, CA 95064, USA.
  • Crews P Department of Chemistry and Biochemistry, University of California, Santa Cruz, CA 95064, USA.
  • Crimmins MT Kenan and Caudill Laboratories of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, USA.
  • Csete M University of Southern California, Huntington Medical Research Institutes, 99 N. El Molino Ave., Pasadena, CA 91101, USA.
  • Dewapriya P Institute for Molecular Bioscience, The University of Queensland, St. Lucia, QLD 4072, Australia.
  • Egan JM Department of Chemistry, Simon Fraser University, Burnaby, BC V5A 1S6, Canada.
  • Garson MJ School of Chemistry and Molecular Sciences, University of Queensland, St. Lucia, QLD 4072, Australia.
  • Genta-Jouve G C-TAC, UMR 8638 CNRS, Faculté de Pharmacie de Paris, Paris-Descartes University, Sorbonne, Paris Cité, 4, Aveue de l'Observatoire, 75006 Paris, France.
  • Gerwick WH Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, La Jolla, San Diego, CA 92093, USA and Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, La Jolla, CA 92093, USA.
  • Gross H Pharmaceutical Institute, Department of Pharmaceutical Biology, Eberhard Karls University of Tübingen, Auf der Morgenstelle 8, 72076 Tübingen, Germany.
  • Harper MK Department of Medicinal Chemistry, University of Utah, Salt Lake City, UT 84112, USA.
  • Hermanto P NMR Facility, Mark Wainwright Analytical Centre, University of New South Wales, Sydney, NSW 2052, Australia.
  • Hook JM NMR Facility, Mark Wainwright Analytical Centre, University of New South Wales, Sydney, NSW 2052, Australia.
  • Hunter L NMR Facility, Mark Wainwright Analytical Centre, University of New South Wales, Sydney, NSW 2052, Australia.
  • Jeannerat D University of Geneva, Department of Organic Chemistry, 30 quai E. Ansermet, CH 1211 Geneva 4, Switzerland.
  • Ji NY Yantai Institute of Coastal Zone Research, Chinese Academy of Sciences, Chunhui Road 17, Yantai 264003, People's Republic of China.
  • Johnson TA Department of Chemistry and Biochemistry, University of California, Santa Cruz, CA 95064, USA.
  • Kingston DGI Department of Chemistry, M/C 0212, Virginia Polytechnic Institute and State University, Blacksburg, VA 24061, USA.
  • Koshino H RIKEN Center for Sustainable Resource Science, Wako, Saitama, 351-0198, Japan.
  • Lee HW Department of Chemistry and Biochemistry, University of California, Santa Cruz, CA 95064, USA.
  • Lewin G Équipe "Pharmacognosie-Chimie des Substances Naturelles" BioCIS, Univ. Paris-Sud, CNRS, Université Paris-Saclay, 5 rue J.-B. Clément, 92290 Châtenay-Malabry, France.
  • Li J Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, La Jolla, CA 92093, USA.
  • Linington RG Department of Chemistry, Simon Fraser University, Burnaby, BC V5A 1S6, Canada.
  • Liu M Griffith Institute for Drug Discovery, Griffith University, Brisbane, QLD 4111, Australia.
  • McPhail KL Department of Pharmaceutical Sciences, College of Pharmacy, Oregon State University, Corvallis, OR 97331, USA.
  • Molinski TF Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Moore BS Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, La Jolla, San Diego, CA 92093, USA and Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, La Jolla, CA 92093, USA.
  • Nam JW Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Neupane RP Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Niemitz M Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Nuzillard JM Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Oberlies NH Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Ocampos FMM NMR Center, Federal University of Paraná, Curitiba, Brazil.
  • Pan G Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Quinn RJ Griffith Institute for Drug Discovery, Griffith University, Brisbane, QLD 4111, Australia.
  • Reddy DS Department of Chemistry and Biochemistry, University of Denver, Denver, CO 80210, USA.
  • Renault JH Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Rivera-Chávez J Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Robien W Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Saunders CM Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Schmidt TJ Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Seger C Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Shen B Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Steinbeck C Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Stuppner H Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Sturm S Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Taglialatela-Scafati O Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Tantillo DJ Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Verpoorte R Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands.
  • Wang BG Yantai Institute of Coastal Zone Research, Chinese Academy of Sciences, Chunhui Road 17, Yantai 264003, People's Republic of China and Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Williams CM School of Chemistry and Molecular Sciences, University of Queensland, St. Lucia, QLD 4072, Australia.
  • Williams PG Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Wist J Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Yue JM Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Zhang C Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Xu Z Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu and.
  • Simmler C Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu.
  • Lankin DC Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu.
  • Bisson J Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu.
  • Pauli GF Center for Natural Product Technologies (CENAPT), Program for Collaborative Research in the Pharmaceutical Sciences (PCRPS), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 S. Wood St., Chicago, IL 60612, USA. gfp@uic.edu, mcalpine@uic.edu.
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  • 2018-07-14
Published in:
  • Natural product reports. - 2019
English Covering: up to 2018With 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.
Language
  • English
Open access status
hybrid
Identifiers
Persistent URL
https://folia.unifr.ch/global/documents/216306
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