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

Kertesz, Vilmos; Van Berkel, Gary J.; Sica, Vincent P.; Raja, Huzefa A.; El-Elimat, Tamam; Oberlies, Nicholas H.; Pearce, Cedric J.

doi:10.1021/acs.jnatprod.5b00268

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

Journal Article · Thu Jul 30 00:00:00 EDT 2015 · Journal of Natural Products

DOI:https://doi.org/10.1021/acs.jnatprod.5b00268· OSTI ID:1214004

Kertesz, Vilmos ^[1]; Van Berkel, Gary J. ^[1]; Sica, Vincent P. ^[2]; Raja, Huzefa A. ^[2]; El-Elimat, Tamam ^[2]; Oberlies, Nicholas H. ^[2]; Pearce, Cedric J. ^[3]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. of North Carolina at Greensboro, Greensboro, NC (United States)
Mycosynthetix, Inc., Hillsborough, NC (United States)

Recently, ambient ionization mass spectrometry techniques have become prevalent in natural product research due to their ability to examine secondary metabolites in situ. Moreover, these techniques retain invaluable spatial and temporal details that are lost through traditional extraction processes. However, 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, MS data, and UV/vis data used in traditional dereplication protocols. By capturing these mutually supportive data, the identity of secondary metabolites can 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 without any sample preparation. Finally our results demonstrate that fungal cultures can be dereplicated from the Petri dish, thus identifying secondary metabolites, including isomers, and confirming them against reference standards. Furthermore, heat maps, similar to mass spectrometry imaging, can be used to ascertain the location and relative concentration of secondary metabolites directly on the surface and/or surroundings of a fungal culture.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: Work for Others (WFO)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1214004

Alternate ID(s):: OSTI ID: 1287014

Journal Information:: Journal of Natural Products, Vol. 78, Issue 8; ISSN 0163-3864

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 44 works

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

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