Browsing by Author "Ivanisevic, Julijana"

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Autonomous metabolomics for rapid metabolite identification in global profiling
(2015-01) Benton, H. Paul; Ivanisevic, Julijana; Mahieu, N. G.; Kurczy, M. E.; Johnson, Caroline H.; Franco, Lauren C.; Rinehart, Duane; Valentine, E.; Gowda, H.; Ubhi, B. K.; Tautenhahn, R.; Gieschen, A.; Fields, Matthew W.; Patti, G. J.; Siuzdak, Gary
An autonomous metabolomic workflow combining mass spectrometry analysis with tandem mass spectrometry data acquisition was designed to allow for simultaneous data processing and metabolite characterization. Although previously tandem mass spectrometry data have been generated on the fly, the experiments described herein combine this technology with the bioinformatic resources of XCMS and METLIN. As a result of this unique integration, we can analyze large profiling datasets and simultaneously obtain structural identifications. Validation of the workflow on bacterial samples allowed the profiling on the order of a thousand metabolite features with simultaneous tandem mass spectra data acquisition. The tandem mass spectrometry data acquisition enabled automatic search and matching against the METLIN tandem mass spectrometry database, shortening the current workflow from days to hours. Overall, the autonomous approach to untargeted metabolomics provides an efficient means of metabolomic profiling, and will ultimately allow the more rapid integration of comparative analyses, metabolite identification, and data analysis at a systems biology level.
Comprehensive bioimaging with fluorinated nanoparticles using breathable liquids
(2015-01) Kurczy, M. E.; Zhu, Zheng-Jiang; Ivanisevic, Julijana; Schuyler, A. M.; Lalwani, K.; Santidrian, A. F.; David, J. M.; Giddabasappa, A.; Roberts, A. J.; Olivos, H. J.; O'Brien, P. J.; Franco, Lauren C.; Fields, Matthew W.; Paris, L. P.; Friedlander, M.; Johnson, Caroline H.; Epstein, A. A.; Gendelman, H. E.; Wood, Malcolm R.; Felding, B. H.; Patti, G. J.; Spiker, M. E.; Siuzdak, Gary
Fluorocarbons are lipophobic and non-polar molecules that exhibit remarkable biocompatibility, with applications in liquid ventilation and synthetic blood. The unique properties of these compounds have also enabled mass spectrometry imaging of tissues where the fluorocarbons act as a Teflon-like coating for nanostructured surfaces to assist in desorption/ionization. Here we report fluorinated ?gold nanoparticles (f-AuNPs) designed to facilitate nanostructure imaging mass spectrometry. Irradiation of f-AuNPs results in the release of the fluorocarbon ligands providing a driving force for analyte desorption. The f-AuNPs allow for the mass spectrometry analysis of both lipophilic and polar (central carbon) metabolites. An important property of AuNPs is that they also act as contrast agents for X-ray microtomography and electron microscopy, a feature we have exploited by infusing f-AuNPs into tissue via fluorocarbon liquids to facilitate multimodal (molecular and anatomical) imaging.
Systems biology guided by XCMS Online metabolomics
(2017-04) Huan, Tao; Forsberg, Erica M.; Rinehart, Duane; Johnson, Caroline H.; Ivanisevic, Julijana; Benton, H. Paul; Fang, Mingliang; Aisporna, Aries E.; Hilmers, Brian; Poole, Farris L.; Thorgersen, Michael P.; Adams, Michael W. W.; Krantz, Gregory; Fields, Matthew W.; Robbins, Paul D.; Niedernhofer, Laura J.; Ideker, Trey; Majumder, Erica L.; Wall, Judy D.; Rattray, Nicholas J. W.; Goodacre, Royston; Lairson, Luke L.; Siuzdak, Gary