Report

Teaser, summary, work performed and final results

Periodic Reporting for period 1 - IMPACT (Ion-Molecule Processes for Analytical Chemical Technologies)

Teaser

A key issue with any analytical system based on mass spectrometry or ion mobility with no initial separation of compounds is to have a high level of confidence in chemical assignment. IMPACT is developing new methods for improved chemical specificity by manipulating ion...

Summary

A key issue with any analytical system based on mass spectrometry or ion mobility with no initial separation of compounds is to have a high level of confidence in chemical assignment. IMPACT is developing new methods for improved chemical specificity by manipulating ion chemistry to be incorporated into the next generation of commercial SCIMS instruments. Increased selectivity is needed for many analytical applications, and this will open-up new areas of research and commercial activity. IMPACT also brings cohesion to the fragmented SCIMS research and development activities within the EU. Before the start of IMPACT, most SCIMS developments have been driven not by users but by manufacturers, whose main focus has been on increased sensitivity. Instead of private and public sectors working independently, IMPACT brings a fresh intersectoral approach. Its overall impact is to replace the need for major and costly changes in instrumental design for improved chemical specificity by providing a deeper understanding of the ion chemistry involved. Hence, IMPACT’s fresh approach is producing a step change in SCIMS instrumentation and thereby bringing both economic and societal benefit to the EU. IMPACT is providing Europe with both a world-class capability in SCIMS technology and a cohort of highly trained researchers who will bring the benefits of that technology to citizens across the EU.

Work performed

The research training is focused on the conduct of internationally leading analytical research projects ranging from fundamental investigations to underpin our knowledge of ion-molecule processes through to applications in the environmental and health sciences. All ESRs have received extensive research training at their host institutions for their individual projects (see ESRS’ Personal Career Development Plans for detailed information). This includes instrumental and data analyses training. All ESRs are confident in using their own specific analytical technique and others have gained skills in other instrumental techniques. All have had research training at the two industrial beneficiaries, Kore Technology Ltd. and Ionicon Analytik GmbH, and one partner, SYFT Technologies. At IONICON the ESRS received intensive training on proton transfer reaction mass spectrometry. A number of workshops were provided which included details on science, operation of instruments, troubleshooting, maintenance, calibration for trace gas analysis, mass calibration, data gathering, analysis and applications. Kore provided training on basic electronics for instrument diagnostics and materials selection for scientific instrumentation. Training on IMS was provided by the Institute for Breath Research at the Universität Innsbruck, which covered the science, operating, calibration, developments and applications of IMS. For all analytical techniques hands-on training was provided.
In addition to these training activities on experimental techniques and procedures, theoretical and computational advanced training courses were provided by Andreas Mauracher (Ionen und Angewandte Physik, Universität Innsbruck) - Computational Methods in Physical Chemistry I: Basic Principles of Electronic Structure Theory, and John Dyke (Chemistry Department, University of Southampton) - Physical Chemistry and Computational Approaches. John Thompson (TMS) provided training on statistical approaches.
Key to networking and transfer of knowledge is the use of secondments and visits. These also provide additional training and perspectives for the ESRs which are not available in their host institutions. They therefore improve the training experience for ESRs and provide intersectoral training. During secondments ESRs are trained in a particular aspect of the scientific and/or commercial expertise available at the host institutions. ESRs are already participating in collaborative projects which will lead to certain deliverable (e.g. paper, conference presentation, technological development etc.).
IMPACT instigated and hosted the “First International Conference on Soft Chemical Ionisation Mass Spectrometry and Applications to Trace Gas Analysis” in Dornbirn, Austria, 18th – 20th September 2017. Other conferences associated with soft chemical ionisation techniques have focused on one particular analytical instrument, for examples the biannual international conferences on proton transfer reaction mass spectrometry and ion mobility spectrometry. This was the first meeting of its kind that provided a forum for discussions on fundamental research, applications and developments dealing with a broader range of soft chemical ionisation techniques used in different sectors and different disciplines. Key motivations for this meeting were to enlarge the networking associated with IMPACT by facilitating collaborations across disciplines and sectors, to improve the exploitation of novel concepts between disciplines and technologies, and to provide cohesion in Soft Chemical Ionisation Mass Spectrometry research worldwide. This conference facilitated the communication and integration of effort, stimulated the exchange of ideas and expertise, and broadened opportunities for the use Soft Chemical Ionisation Techniques. All ESRs will be attended and either gave an oral or poster presentation.

Final results

IMPACT will provide a greater experimental and theoretical understanding of underlying ion-molecule reactions so that knowledge is gained as to how ion chemistry can be manipulated to enhance or diminish key chemical processes for improved instrumental selectivity. This is being done whilst addressing topical analytical scientific issues through cutting-edge individual research projects in three key disciplines - environmental science, bioscience and homeland security which provide an ideal route for testing proposed schemes for improving selectivity. The final step is to have transition of discovery to delivery by incorporating the protocols and methods discovered into instrumental design and development. To date we have achieved the following:

• enhanced compound selectivity using a radio frequency ion funnel device with PTR-MS
• determined the influence of humidity on the creation of water clusters of protonated molecules
• developed fast GC interface for PTR-MS
• provided novel procedures to modify reaction processes
• provided detailed quantum mechanical calculations to underpin the interpretation of experimental observations
• involved in developing a standardization of breath analysis across Europe
• developed OH total reactivity measurements – particularly associated with crop emissions and air quality and climate change in the Arabian Basin
• compared the analytical capabilities SIFT-MS, PTR-MS and IMS.

Website & more info

More info: http://impact-h2020itn.com/.