Sangam: A Confluence of Knowledge Streams

Untargeted Metabolite Mapping in 3D Cell Culture Models using High Spectral Resolution FT-ICR Mass Spectrometry Imaging - Datasets

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dc.contributor EPSRC - Engineering and Physical Sciences Research Council
dc.contributor Clarke, David
dc.creator Tucker, Lulu
dc.creator Clarke, David
dc.date 2019-01-29T11:27:58Z
dc.date 2019-01-29T11:27:58Z
dc.date.accessioned 2023-02-17T20:51:20Z
dc.date.available 2023-02-17T20:51:20Z
dc.identifier Tucker, Lulu; Clarke, David. (2019). Untargeted Metabolite Mapping in 3D Cell Culture Models using High Spectral Resolution FT-ICR Mass Spectrometry Imaging - Datasets, [dataset]. University of Edinburgh. School of Chemistry. https://doi.org/10.7488/ds/2490.
dc.identifier https://hdl.handle.net/10283/3250
dc.identifier https://doi.org/10.7488/ds/2490
dc.identifier.uri http://localhost:8080/xmlui/handle/CUHPOERS/243869
dc.description Mass spectrometry imaging (MSI) is an effective tool to investigate multicellular tumor spheroids (MTS) in a spatially-resolved manner. It has been used to study the distribution of lipids, post-translational modifications, metabolites and the time-dependent penetration of drugs. Using the high spectral resolution achievable with Fourier-transform ion cyclotron resonance (FT-ICR), here we use MSI to image 8-day-old MCF-7 spheroids. We show that specific metabolite markers (adenosine phosphates and glutathione) indicate that the central region of these cell culture models experience increased hypoxic and oxidative stress. By using discriminatory analysis, we have identified which m/z values localize towards the outer proliferative or central hypoxic regions of an MTS, and have assigned elemental formula with sub-ppm error. Using this information, we have mapped these metabolites back to distinct pathways to improve our understanding of the molecular environment of a tumor
dc.description See Readme.pdf for details. All MSI datafiles are uploaded as both .imzML and .ibd raw files (suitable for viewing on multiple platforms)
dc.format application/pdf
dc.format application/octet-stream
dc.format application/octet-stream
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dc.language eng
dc.publisher University of Edinburgh. School of Chemistry
dc.rights Creative Commons Attribution 4.0 International Public License
dc.subject Mass Spectrometry Imaging
dc.subject FT-ICR MS
dc.subject Physical Sciences::Analytical Chemistry
dc.title Untargeted Metabolite Mapping in 3D Cell Culture Models using High Spectral Resolution FT-ICR Mass Spectrometry Imaging - Datasets
dc.type dataset


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Data_Information.pdf 171.4Kb application/pdf View/Open
Spheroid1.ibd 20.66Gb application/octet-stream View/Open
Spheroid1.imzML 1.051Mb application/octet-stream View/Open
Spheroid2.ibd 18.40Gb application/octet-stream View/Open
Spheroid2.imzML 936.7Kb application/octet-stream View/Open
Spheroid3.ibd 14.36Gb application/octet-stream View/Open
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