8th CONFERENCE OF THE CZECH SOCIETY FOR MASS SPECTROMETRY - BOOK OF ABSTRACTS

Importance of the topic

Mass spectrometry remains a cornerstone of modern analytical chemistry, driving advances across metabolomics, proteomics, imaging, environmental monitoring and forensic science. By enabling sensitive, selective and rapid detection of small molecules, peptides and proteins, mass‐spectrometry‐based methods reveal biochemical pathways, diagnostic biomarkers and molecular interactions critical to health, industry, agriculture and cultural heritage.

Objectives and Overview of the Conference

The Eighth Annual Conference of the Czech Society for Mass Spectrometry convened researchers from academia, industry and clinical laboratories to:

• Present cutting‐edge instrument developments including high-resolution time-of-flight (TOF), ion mobility, Fourier transform ion cyclotron resonance (FT-ICR) and tandem quadrupole systems.
• Showcase novel sample‐introduction techniques such as atmospheric solids analysis probe (ASAP), selected ion flow tube (SIFT) ionization, direct infusion and microextraction approaches.
• Discuss emerging data‐processing platforms (GNPS, SIRIUS, CSI:FingerID) and open‐source workflows that facilitate metabolite annotation, molecular networking and reproducible proteomics pipelines.
• Exchange methodologies for clinical applications, including biomarker discovery in inherited metabolic disorders, oncology, respiratory diseases and infectious agents.

Methodology and Instrumentation

Key technologies and protocols highlighted at the conference:

• High-resolution LC–MS/MS (Orbitrap, Q-Exactive, timsTOF) and MALDI imaging (TOF, MRMS) for spatial metabolomic and lipidomic profiling in tissues and cells.
• Ambient ionization techniques (ASAP, REIMS, SIFT-MS) for direct analysis of solids, liquids and volatiles without extensive sample preparation.
• Capillary electrophoresis–ICP-MS for speciation of metal–ligand complexes and chiral separations of metal-based drugs.
• Top-down proteomics and hydroxyl radical footprinting to map conformational changes and protein–RNA interactions.
• High‐throughput GC×GC-TOF/MS and HS-SPME for comprehensive volatile organic compound analysis in complex matrices.

Main Results and Discussion

Selected scientific highlights:

• GNPS molecular networking and SIRIUS enhanced untargeted metabolite annotation and discovery of novel phyto- and microbial-derived metabolites.
• Direct‐infusion MS and correlation‐based post-processing eliminated false positive metabolic features by up to 20 % in biomarker screening.
• MALDI imaging linked lipid remodeling in melanoma and neurodegeneration to localized metabolic shifts, while REIMS enabled rapid tissue classification.
• SRM and multiple reaction monitoring quantified oxidative stress markers (8-OH-dG, 8-OH-G) and acute phase proteins in urine and dried blood spots for clinical metabolomics and newborn screening.
• Proteomic profiling of cell-free breath condensate identified candidate biomarkers in pediatric asthma and cancer exhaled breath condensate.
• Discovery of new acylcarnitine and organic acid biomarkers for inherited metabolic disorders (phenylketonuria, HMG-CoA lyase deficiency), paving the way for improved diagnostics.
• Case studies of metal–azole interactions, fungal endoproteases and retroviral protein complexes provided mechanistic insight into drug action, protease specificity and viral assembly.
• Application of micro‐excavation and LDI‐MS enabled archaeological residue analysis on Bronze Age artifacts, revealing plant-wax biomarkers and carbohydrate distributions.

Benefits and Practical Applications

The conference underscored how advanced mass‐spectrometry methods:

• Improve early disease detection and personalized medicine through sensitive biomarker panels in biofluids and tissues.
• Enhance environmental and food safety monitoring by quantifying trace pollutants, antibiotics and pesticide residues in water, crops and hemp products.
• Accelerate forensic and public health responses with rapid, on‐site screening of fire accelerants, volatiles and chemical threats.
• Support art conservation and archaeology by identifying pigments, binders and ancient biomolecules without invasive sampling.
• Drive fundamental research on protein structure, dynamics and interactions through top‐down sequencing and native ion‐mobility experiments.

Future Trends and Possibilities of Use

Promising emerging directions include:

• Automated, cloud‐based workflows integrating open databases (PubChem, GNPS) and machine learning for real‐time compound identification.
• Miniaturized, high‐throughput ambient MS devices enabling point‐of‐care diagnostics and field‐deployable environmental monitoring.
• Multiplex imaging mass spectrometry combining spatial metabolomics, lipidomics and proteomics at cellular resolution.
• Hybrid top‐down/bottom‐up proteomic strategies and novel fragmentation methods (UVPD, EThcD) to map post‐translational modifications and conformational changes.
• Expansion of single‐cell and single‐particle MS for deeper biological insight and rare event detection.

Conclusion

The 2019 CSMS conference illustrated the transformative impact of mass spectrometry across scientific disciplines. Continued innovation in instrumentation, ambient sampling, data analysis and interdisciplinary collaboration will further expand its role in clinical diagnostics, environmental stewardship, industrial quality control and cultural heritage research.

References

Key literature and software tools mentioned include:

• Wang M. et al.: Nat. Biotech. 34, 828 (2016) – GNPS molecular networking.
• Rasche F. et al.: Anal. Chem. 83, 1243 (2011) – SIRIUS algorithm.
• Palmblad M. et al.: Bioinformatics 35, 656 (2019) – automated MS workflows.
• McEwen C.N. et al.: Anal. Chem. 77, 7826 (2005) – ASAP ambient ionization.
• Duhrkop K. et al.: PNAS 112, 12580 (2015) – CSI:FingerID structure elucidation.