7th CONFERENCE OF THE CZECH SOCIETY FOR MASS SPECTROMETRY - BOOK OF ABSTRACTS

Significance of the Topic

Mass spectrometry remains at the forefront of analytical chemistry, enabling unprecedented insights into reaction mechanisms, biomolecular structures, and complex sample analyses. The Seventh Annual Conference of the Czech Society for Mass Spectrometry highlighted innovative developments in gas-phase catalysis, ion mobility, native MS, imaging approaches, and biomedical applications, illustrating the essential role of MS in fundamental research and real-world problem solving.

Objectives and Conference Overview

This conference convened experts in gas-phase ion chemistry, proteomics, metabolomics, and imaging techniques to:

• Explore novel catalysis mechanisms via single-atom and cluster studies.
• Discuss advanced MS instrumentation combining ion mobility and high-resolution mass analysis.
• Present imaging and ambient ionization methods for mapping biomolecules in situ.
• Share biomedical and environmental applications including diagnostic biomarker discovery and pollutant analysis.

Over three days, 2 plenary lectures, 5 oral and company workshops, and multiple thematic sessions offered 70+ presentations and poster talks.

Methodologies and Instrumentation

Key methodologies included:

• Trapped ion mobility-enabled Parallel Accumulation – Serial Fragmentation (PASEF) on TIMS-QTOF platforms for deep proteome coverage at nanogram scales.
• Gas-phase photodissociation and IR spectroscopy to characterize reactive metal-oxo and nitride intermediates.
• Native MS and size-exclusion chromatography coupled to Q-TOF for intact protein complex analysis.
• MALDI MSI, DESI/nanoDESI, and microgradient reversed-phase fractionation for spatial mapping of lipids and metabolites.
• UHPLC-QqQ MS and GCxGC/TOFMS for targeted quantification of dyes, drugs, fatty acids, and inborn metabolic markers.

Main Findings and Discussion

Highlights included:

• Discovery of atypical hydroperoxoflavin intermediates and metal-mediated C–H and C–N bond formations under single-collision conditions.
• Generation and spectroscopic characterization of gas-phase iron(III)-oxo species, revealing spin-state–dependent vibrations.
• Demonstration of nanoflow APCI and microgradient separation to detect trace analytes, from perchlorate dyes in tea to endogenous metabolites in disease models.
• Identification of urinary siderophore biomarkers enabling early, non-invasive aspergillosis diagnosis in rat models.
• Proteomic and metabolomic pathways in tauopathy and immunological contexts, unveiling potential biomarkers and therapeutic targets.

Benefits and Practical Applications

The methods presented offer:

• Ultra-sensitive detection of low-abundance species for clinical diagnostics and environmental monitoring.
• Structural MS approaches to map dynamic protein conformations and protein–ligand interactions.
• Imaging workflows to localize metabolites and drugs within tissues, enhancing drug development and pathology studies.
• Workflow templates combining untargeted discovery and targeted quantitation for robust biomarker validation.

Future Trends and Prospects

Emerging directions include:

• Integration of ion mobility with real-time MS imaging.
• Machine-learning–driven spectral interpretation and molecular networking.
• Single-cell and single-molecule MS for precision medicine.
• Ambient and in vivo ionization strategies to bridge laboratory and clinical environments.

Conclusion

The conference underscored mass spectrometry’s versatility, from fundamental gas-phase chemistry to complex biological systems and clinical applications. Advances in instrumentation, methodology, and data analysis continue to expand MS’s impact across chemistry, biology, and medicine.

Reference

Book of Abstracts of the Seventh Annual Conference of the Czech Society for Mass Spectrometry, Prague, April 11–13, 2018.