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Title: Dereplicating and spatial mapping of secondary metabolites from fungal cultures in situ

Ambient ionization techniques coupled to mass spectrometry have recently become prevalent in natural product research due to their ability to examine secondary metabolites in situ. Identifying, mapping, and monitoring secondary metabolites directly on an organism provides invaluable spatial and temporal details that are lost through traditional extraction processes. Most ambient ionization techniques do not collect mutually supportive data, such as chromatographic retention times and/or UV/VIS spectra, and this can limit the ability to identify certain metabolites, such as differentiating isomers. To overcome this, the droplet liquid microjunction surface sampling probe (droplet LMJ SSP) was coupled with UPLC PDA HRMS MS/MS, thus providing separation, retention times, and UV/VIS data used in traditional dereplication protocols. By capturing these mutually supportive data, the identity of secondary metabolites could be confidently and rapidly assigned in situ. Using the droplet LMJ SSP, a protocol was constructed to analyze the secondary metabolite profile of fungal cultures directly without any sample preparation. The results demonstrate that fungal cultures can be dereplicated from the Petri dish, thus identifying secondary metabolites, including isomers, and confirming them against reference standards. As a result, heat maps, similar to mass spectrometry imaging, can be used to ascertain the location and relative concentrationmore » of secondary metabolites directly on the surface and/or surroundings of a fungal culture.« less
 [1] ;  [1] ;  [2] ;  [2] ;  [2] ;  [2] ;  [3]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Univ. of North Carolina at Greensboro, Greensboro, NC (United States)
  3. Mycosynthetix, Inc., Hillsborough, NC (United States)
Publication Date:
Grant/Contract Number:
Accepted Manuscript
Journal Name:
Journal of Natural Products
Additional Journal Information:
Journal Volume: 78; Journal Issue: 8; Journal ID: ISSN 0163-3864
American Chemical Society (ACS)
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
Work for Others (WFO)
Country of Publication:
United States
60 APPLIED LIFE SCIENCES; mass spectrometry; surface sampling; fungi; natural products; chemical imaging; 59 BASIC BIOLOGICAL SCIENCES
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1287014