In WP03 - Open Data and e-Infrastructure, the development of specific processing, analysis and mining tools is in progress. The deployment of a FT-ICR open data exchange network, implies that the users have an easy access to the shared data. In particular, TNA users require to have access to the content of their data after the TNA run. As currently no free or open source software is available for the processing and analysis of such data-set, such a program has been developed and is deployed for TNA user.
The WP4 concerns Joint Research activities. Ultra-complex samples (tire oil pyrolysis products, fresh/aged bitumen) were jointly analyzed by direct infusion as well as coupling techniques, i.e. thermal analysis. This cooperation between UHRO, URO and UEF described methods for the ultra-complex organic mixtures with a strong focus to petrochemicals (bio-oils, plastic recycling, etc.). The Liege team described an optimized protocol for MALDI imaging. The French teams (Rouen, Lille) developed a new method for the analysis of polybutadienes and polyisoprenes based on mild chemical depolymerization. Lille team described a high throughput method to identify the species of paleontological bones.
Very exciting new developments have been developed by several sites of the consortium and has been published in open access journals. Among these developments we may emphasize (i) an harmonized cell with an open geometry by the Moscow site which allows longer transient and a better resolution; (ii) a software developed at the site of Liège which extend to MALDI imaging the Kendric and van Krevelen diagrams allowing a better data mining of this complex data; (iii) the implementation of UVPD (Ultraviolet Photodissociation) at the site of Warwick; and finally (iv) the site of Lille developed a genetic algorithm program which allows super-resolution close to the theoretical predicted limits. The 2 XR acquisition at high magnetic field which has been postponed to the last 6 months of the project due to late delivery of the device by the manufacturer has already been the subject of two papers.
The EU_FT-ICR_MS is the first European infrastructure dedicated to afford end users access to ultra-high resolution mass spectrometry. Despite the fact that FT-ICR MS is the most powerful MS offering at least 10 folds higher mass resolving power and mass accuracy on 10 times more complex samples than any other MS technique, the TransNational Access work done for European industrial and regulation agency scientists has shown that the lack of specialist is an obstacle to its wider diffusion. The TNA access provided to European companies and SMEs allowed us to gather a strong network which submitted a Marie Skłodowska-Curie Innovative Training Networks, “European academic, non-academic PhD joint-training in FT-ICR ultra high resolution mass spectrometry of complex samples” for forming, through research-based training, the professional profiles behind tomorrow’s state-of-the-art analysis of complex mixtures by FT-ICR MS in real-world-applications for increasing the competitiveness of European industries and regulation agencies.
