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High mass resolution and cloud-based computing on large datasets

 

Work package Data Generation and Metadata Management for Biobanking with MRI and IMS of the COMMIT/project e-Biobanking presented a talk at the 2013 Ardgour Symposium in Ardgour, UK. This talk highlighted their work on high mass resolution mass spectrometry imaging by MALDI and LAESI, as well as our work on cloud-based computing of large datasets:

Mass spectrometry imaging has become widely used for the spatial mapping of molecules on complex surfaces, usually thin tissue sections. Such samples yield hundreds to thousands of individual species, which must be mass resolved if proper ion images are to be obtained (and interpreted).

Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) offers the highest mass resolving power for use in imaging studies. This high mass resolving power has been shown to reveal features that are not resolved on lower performance mass spectrometers (such as time-of-flight). Here, the current status of FT-ICR MS imaging at AMOLF will be discussed.

We have coupled a laser ablation electrospray (LAESI) atmospheric ion source to an FT-ICR mass spectrometer for top-down MS and MS/MS imaging directly from biological tissue sections. The LAESI source produces multiply charged ions very similar to electrospray, which can be fragmented by collision induced dissociation (CID), infrared multiphoton dissociation (IRMPD) or electron capture dissociation (ECD) for top-down analyses directly from tissue sections.

FT-ICR MS of large tissue sections (or at high spatial resolution) results in a large amount of raw data that must be processed efficiently into a format amenable to image generation. The AMOLF developed “Chameleon” processing software has been design specifically for these needs. New developments in Chameleon will be discussed, including the use of absorption mode spectra (from the Autophaser) and the deployment of Chameleon in a parallel computing cloud environment.

While most MS imaging work focuses on biological tissue sections, we have started developing methods for analyzing more complex samples by FT-ICR MS imaging. Specifically, a thin-layer chromatography method coupled with laser desorption ionization FT-ICR MS has been developed to study crude oil samples. Details of this approach

e-Biobanking (e-Biobanking with Imaging for Healthcare)
Ook dit is een COMMIT/project