Use and Value of Infrared Spectroscopy in Contemporary Natural Product Isolation and Screening Workflows
Abstract Infrared (IR) spectroscopy has lost relevance in modern natural product structural elucidation workflows but holds many advantages that can be leveraged with contemporary tools and technologies. With the aim of showing the applicability of the technique for dereplication and structural elucidation of natural products, we have assembled an IR spectral library of diverse natural product structures and chemotypes. We show that IR data are largely platform-independent and can be used for the identification of active principles in modern high-throughput screens as well as automated structural elucidation workflows.
Authors
- Jasmine A. Loyal
- Jason R. Evans
- Samantha C. Waterworth (ORCID: https://orcid.org/0000-0001-6436-0142)
- Dongdong Wang (ORCID: https://orcid.org/0000-0002-7824-2507)
- Maria Orfanoudaki (ORCID: https://orcid.org/0000-0002-9409-7645)
- Masoumeh Dalilian
- Rhone K. Akee
- Vítor F. Freire (ORCID: https://orcid.org/0000-0001-6565-1830)
- Shaurya Chanana (ORCID: https://orcid.org/0000-0002-3021-2210)
- Tanja Grkovic (ORCID: https://orcid.org/0000-0002-6537-3997)
- Lucero Martínez-Fructuoso (ORCID: https://orcid.org/0000-0002-2279-5479)
- Barry R. O’Keefe (ORCID: https://orcid.org/0000-0003-0772-4856)
- Christopher C. Thornburg (ORCID: https://orcid.org/0000-0002-4657-6895)
- Susan M. Ensel (ORCID: https://orcid.org/0000-0002-7733-1065)
- Brian D. Peyser (ORCID: https://orcid.org/0000-0002-3455-5181)
- John R. Britt
- Rohitesh Kumar
- Alexander M. Martinkosky
Institutions
- Frederick National Laboratory for Cancer Research (US)
- National Cancer Institute (US)
- Center for Cancer Research (US)
- Hood College (US)
Publication Details
- Journal
- Journal of Natural Products
- Published
- 2026-10-30
- DOI
- https://doi.org/10.1021/acs.jnatprod.6c00878
- Primary Topic
- Molecular spectroscopy and chirality
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Frederick National Laboratory for Cancer Research
- Leidos
- National Cancer Institute