Dissemination of original NMR data enhances reproducibility and integrity in chemical research
Author:
Affiliation:
1. Center for Natural Product Technologies (CENAPT)
2. Department of Medicinal Chemistry and Pharmacognosy
3. College of Pharmacy
4. University of Illinois at Chicago
5. Chicago
Abstract
Discusses the relevance of freely accessible raw NMR data, published with articles and/or in unified databases, as part of good research practices promoting accuracy, transparency, and reproducibility of bio-chemical outcomes.
Funder
National Center for Complementary and Integrative Health
Publisher
Royal Society of Chemistry (RSC)
Subject
Organic Chemistry,Drug Discovery,Biochemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2016/NP/C6NP00022C
Reference10 articles.
1. Toward Structural Correctness: Aquatolide and the Importance of 1D Proton NMR FID Archiving
2. HiFSA Fingerprinting Applied to Isomers with Near-Identical NMR Spectra: The Silybin/Isosilybin Case
3. Choosing the Best Pulse Sequences, Acquisition Parameters, Postacquisition Processing Strategies, and Probes for Natural Product Structure Elucidation by NMR Spectroscopy
4. Chasing Molecules That Were Never There: Misassigned Natural Products and the Role of Chemical Synthesis in Modern Structure Elucidation
5. Essential Parameters for Structural Analysis and Dereplication by 1H NMR Spectroscopy
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