title: Dissemination of original NMR data enhances reproducibility and integrity in chemical research.
abstract: The notion of data transparency is gaining a strong awareness among the scientific community. The availability of raw data is actually regarded as a fundamental way to advance science by promoting both integrity and reproducibility of research outcomes. Particularly, in the field of natural product and chemical research, NMR spectroscopy is a fundamental tool for structural elucidation and quantification (qNMR). As such, the accessibility of original NMR data, i.e., Free Induction Decays (FIDs), fosters transparency in chemical research and optimizes both peer review and reproducibility of reports by offering the fundamental tools to perform efficient structural verification. Although original NMR data are known to contain a wealth of information, they are rarely accessible along with published data. This viewpoint discusses the relevance of the availability of original NMR data as part of good research practices not only to promote structural correctness, but also to enhance traceability and reproducibility of both chemical and biological results.
authors.affiliation: Center for Natural Product Technologies (CENAPT), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 South Wood Street, Chicago, Illinois 60612, USA. gfp@uic.edu.
authors.forename: Jonathan
authors.initials: J
authors.lastname: Bisson
authors.affiliation: Center for Natural Product Technologies (CENAPT), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 South Wood Street, Chicago, Illinois 60612, USA. gfp@uic.edu.
authors.forename: Charlotte
authors.initials: C
authors.lastname: Simmler
authors.affiliation: Center for Natural Product Technologies (CENAPT), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 South Wood Street, Chicago, Illinois 60612, USA. gfp@uic.edu.
authors.forename: Shao-Nong
authors.initials: SN
authors.lastname: Chen
authors.affiliation: Center for Natural Product Technologies (CENAPT), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 South Wood Street, Chicago, Illinois 60612, USA. gfp@uic.edu.
authors.forename: J Brent
authors.initials: JB
authors.lastname: Friesen
authors.affiliation: Center for Natural Product Technologies (CENAPT), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 South Wood Street, Chicago, Illinois 60612, USA. gfp@uic.edu.
authors.forename: David C
authors.initials: DC
authors.lastname: Lankin
authors.affiliation: Center for Natural Product Technologies (CENAPT), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 South Wood Street, Chicago, Illinois 60612, USA. gfp@uic.edu.
authors.forename: James B
authors.initials: JB
authors.lastname: McAlpine
authors.affiliation: Center for Natural Product Technologies (CENAPT), Department of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, University of Illinois at Chicago, 833 South Wood Street, Chicago, Illinois 60612, USA. gfp@uic.edu.
authors.forename: Guido F
authors.initials: GF
authors.lastname: Pauli
mesh_terms: D001688:Biological Products / Q000737:chemistry*; D015394:Molecular Structure; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D015203:Reproducibility of Results
chemical_list: D001688:Biological Products