Evidence map›Paper›PMID 30003207›Full record

ReviewNatural product reports2019

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 and 63 more

Erratum issuedAbstract readReview
PubMed Full text at PMC Publisher
In one paragraph

Review in Natural product reports, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 48 papers.

0numbers the graph read from it
0cells of the map it votes in
48citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

48 citing papers in PubMed.

  1. Article
  2. Review
  3. QuantitativeMolecules (Basel, Switzerland) · 2026
    Review
  4. Review
  5. Article
  6. Current research in food science · 2025
    Article
  7. Article
  8. Article
  9. Article
  10. Article
  11. Review
  12. Article
  13. Practical Aspects of NMR-Based Metabolomics.Handbook of experimental pharmacology · 2023
    Article
  14. Review
  15. Review
  16. Article
  17. SpecDB: A relational database for archiving biomolecular NMR spectral data.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2022
    Article
  18. Article
  19. Article
  20. Review
4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

73 authors.

James B McAlpineCenter 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.ORCID 0000-0003-1696-8828
Shao-Nong ChenCenter 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.ORCID 0000-0003-0748-0863
Andrei KutateladzeDepartment of Chemistry and Biochemistry, University of Denver, Denver, CO 80210, USA.ORCID 0000-0003-3066-517X
John B MacMillanDepartment of Chemistry and Biochemistry, University of California, Santa Cruz, CA 95064, USA.ORCID 0000-0003-1430-1077
Giovanni AppendinoDipartimento di Scienze Chimiche, Alimentari, Farmaceutiche e Farmacologiche, Universita` del Piemonte Orientale, Via Bovio 6, 28100 Novara, Italy.ORCID 0000-0002-4170-9919
Andersson BarisonNMR Center, Federal University of Paraná, Curitiba, Brazil.ORCID 0000-0001-9381-8239
Mehdi A BeniddirÉquipe "Pharmacognosie-Chimie des Substances Naturelles" BioCIS, Univ. Paris-Sud, CNRS, Université Paris-Saclay, 5 rue J.-B. Clément, 92290 Châtenay-Malabry, France.ORCID 0000-0003-2153-4290
Maique W BiavattiDepartment of Pharmaceutical Sciences, Federal University of Santa Catarina, Florianópolis, Brazil.ORCID 0000-0001-7911-3662
Stefan BlumlUniversity of Southern California, Keck School of Medicine, Los Angeles, CA 90089, USA.ORCID 0000-0003-2124-797X
Asmaa BoufridiGriffith Institute for Drug Discovery, Griffith University, Brisbane, QLD 4111, Australia.ORCID 0000-0002-9005-2343
Mark S ButlerInstitute for Molecular Bioscience, The University of Queensland, St. Lucia, QLD 4072, Australia.ORCID 0000-0001-6689-4236
Robert J CaponInstitute for Molecular Bioscience, The University of Queensland, St. Lucia, QLD 4072, Australia.ORCID 0000-0002-8341-7754
Young H ChoiDivision of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands.ORCID 0000-0003-1484-1700
David CoppageDepartment of Chemistry and Biochemistry, University of California, Santa Cruz, CA 95064, USA.
Phillip CrewsDepartment of Chemistry and Biochemistry, University of California, Santa Cruz, CA 95064, USA.ORCID 0000-0002-9061-9549
Michael T CrimminsKenan and Caudill Laboratories of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, USA.ORCID 0000-0003-0313-6010
Marie CseteUniversity of Southern California, Huntington Medical Research Institutes, 99 N. El Molino Ave., Pasadena, CA 91101, USA.ORCID 0000-0003-4591-0510
Pradeep DewapriyaInstitute for Molecular Bioscience, The University of Queensland, St. Lucia, QLD 4072, Australia.ORCID 0000-0002-6383-1843
Joseph M EganDepartment of Chemistry, Simon Fraser University, Burnaby, BC V5A 1S6, Canada.ORCID 0000-0002-6836-2361
Mary J GarsonSchool of Chemistry and Molecular Sciences, University of Queensland, St. Lucia, QLD 4072, Australia.ORCID 0000-0001-8670-1075
Grégory Genta-JouveC-TAC, UMR 8638 CNRS, Faculté de Pharmacie de Paris, Paris-Descartes University, Sorbonne, Paris Cité, 4, Aveue de l'Observatoire, 75006 Paris, France.ORCID 0000-0002-9239-4371
William H GerwickSkaggs 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.ORCID 0000-0003-1403-4458
Harald GrossPharmaceutical Institute, Department of Pharmaceutical Biology, Eberhard Karls University of Tübingen, Auf der Morgenstelle 8, 72076 Tübingen, Germany.ORCID 0000-0002-0731-821X
Mary Kay HarperDepartment of Medicinal Chemistry, University of Utah, Salt Lake City, UT 84112, USA.
Precilia HermantoNMR Facility, Mark Wainwright Analytical Centre, University of New South Wales, Sydney, NSW 2052, Australia.
James M HookNMR Facility, Mark Wainwright Analytical Centre, University of New South Wales, Sydney, NSW 2052, Australia.ORCID 0000-0002-1185-7320
Luke HunterNMR Facility, Mark Wainwright Analytical Centre, University of New South Wales, Sydney, NSW 2052, Australia.ORCID 0000-0002-8678-3602
Damien JeanneratUniversity of Geneva, Department of Organic Chemistry, 30 quai E. Ansermet, CH 1211 Geneva 4, Switzerland.ORCID 0000-0001-7018-4288
Nai-Yun JiYantai Institute of Coastal Zone Research, Chinese Academy of Sciences, Chunhui Road 17, Yantai 264003, People's Republic of China.ORCID 0000-0002-6526-4731
Tyler A JohnsonDepartment of Chemistry and Biochemistry, University of California, Santa Cruz, CA 95064, USA.
David G I KingstonDepartment of Chemistry, M/C 0212, Virginia Polytechnic Institute and State University, Blacksburg, VA 24061, USA.ORCID 0000-0001-8944-246X
Hiroyuki KoshinoRIKEN Center for Sustainable Resource Science, Wako, Saitama, 351-0198, Japan.ORCID 0000-0002-0954-9839
Hsiau-Wei LeeDepartment of Chemistry and Biochemistry, University of California, Santa Cruz, CA 95064, USA.
Guy LewinÉquipe "Pharmacognosie-Chimie des Substances Naturelles" BioCIS, Univ. Paris-Sud, CNRS, Université Paris-Saclay, 5 rue J.-B. Clément, 92290 Châtenay-Malabry, France.
Jie LiCenter for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, La Jolla, CA 92093, USA.ORCID 0000-0001-7977-6749
Roger G LiningtonDepartment of Chemistry, Simon Fraser University, Burnaby, BC V5A 1S6, Canada.ORCID 0000-0003-1818-4971
Miaomiao LiuGriffith Institute for Drug Discovery, Griffith University, Brisbane, QLD 4111, Australia.
Kerry L McPhailDepartment of Pharmaceutical Sciences, College of Pharmacy, Oregon State University, Corvallis, OR 97331, USA.ORCID 0000-0003-2076-1002
Tadeusz F MolinskiCenter 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.ORCID 0000-0003-1935-2535
Bradley S MooreSkaggs 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.ORCID 0000-0002-4652-1253
Joo-Won NamCenter 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.ORCID 0000-0001-5502-0736
Ram P NeupaneCenter 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.
Matthias NiemitzCenter 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.ORCID 0000-0002-5452-5203
Jean-Marc NuzillardCenter 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.ORCID 0000-0002-5120-2556
Nicholas H OberliesCenter 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.ORCID 0000-0002-0354-8464
Fernanda M M OcamposNMR Center, Federal University of Paraná, Curitiba, Brazil.ORCID 0000-0002-0373-7396
Guohui PanCenter 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.ORCID 0000-0002-8839-3886
Ronald J QuinnGriffith Institute for Drug Discovery, Griffith University, Brisbane, QLD 4111, Australia.ORCID 0000-0002-4022-2623
D Sai ReddyDepartment of Chemistry and Biochemistry, University of Denver, Denver, CO 80210, USA.
Jean-Hugues RenaultCenter 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.ORCID 0000-0002-8705-7258
José Rivera-ChávezCenter 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.
Wolfgang RobienCenter 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.ORCID 0000-0001-8565-7316
Carla M SaundersCenter 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.ORCID 0000-0001-6699-2848
Thomas J SchmidtCenter 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.ORCID 0000-0003-2634-9705
Christoph SegerCenter 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.ORCID 0000-0002-3984-461X
Ben ShenCenter 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.ORCID 0000-0002-9750-5982
Christoph SteinbeckCenter 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.ORCID 0000-0001-6966-0814
Hermann StuppnerCenter 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.ORCID 0000-0001-8862-0201
Sonja SturmCenter 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.
Orazio Taglialatela-ScafatiCenter 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.ORCID 0000-0001-8010-0180
Dean J TantilloCenter 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.ORCID 0000-0002-2992-8844
Robert VerpoorteDivision of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands.ORCID 0000-0001-6180-1424
Bin-Gui WangYantai 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.ORCID 0000-0003-0116-6195
Craig M WilliamsSchool of Chemistry and Molecular Sciences, University of Queensland, St. Lucia, QLD 4072, Australia.ORCID 0000-0002-3834-7398
Philip G WilliamsCenter 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.ORCID 0000-0001-8987-0683
Julien WistCenter 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.ORCID 0000-0002-3416-2572
Jian-Min YueCenter 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.ORCID 0000-0002-4053-4870
Chen ZhangCenter 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.
Zhengren XuCenter 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.ORCID 0000-0001-7302-6488
Charlotte SimmlerCenter 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.ORCID 0000-0002-6923-2630
David C LankinCenter 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.ORCID 0000-0003-3166-5980
Jonathan BissonCenter 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.ORCID 0000-0003-1640-9989
Guido F PauliCenter 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.ORCID 0000-0003-1022-4326

Funding

Urgent Covid-19 Revision to the Center for High-Throughput Functional Annotation of Natural ProductsU41AT008718 · NCCIH · UT SOUTHWESTERN MEDICAL CENTER · PI CECH, NADJA B, LININGTON, ROGER G · 2015 to 2024
$10.1M
UCSC PREPR25GM104552 · NIGMS · UNIVERSITY OF CALIFORNIA SANTA CRUZ · PI William T. SULLIVAN · 2013 to 2026
$3.9M
Center for Natural Product Technologies at UIC (CeNAPT)U41AT008706 · NCCIH · UNIVERSITY OF ILLINOIS AT CHICAGO · PI PAULI, GUIDO F · 2015 to 2019
$1.5M
An Integrated Methodology for Nanomole-Scale Structure Elucidation of Natural ProductsR21AT009783 · NCCIH · UNIVERSITY OF CALIFORNIA, SAN DIEGO · PI MOLINSKI, TADEUSZ F · 2018 to 2019
$426k
NCCIH NIH HHS R21 AT009783NCCIH NIH HHS U41 AT008706NCCIH NIH HHS U41 AT008718NIGMS NIH HHS R25 GM104552
6 · The paper itself

Abstract

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.

Indexed as

Biological ProductsMagnetic Resonance SpectroscopyMolecular ConformationReproducibility of ResultsBiological Products

Identifiers

PMID30003207
PMCPMC6350634

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.