ANAKON 2023

Speakers:

Eric Klein, Micro Analysis, Bruker Optics GmbH & Co. KG, Ettlingen, Germany
Andras Kiss, Bruker Daltonics GmbH & Co. KG, Bremen, Germany

Abstract:

Infrared or FT-IR microscopy is the exciting combination of conventional light microscopy and a unique chemical identification by FT-IR spectroscopy. Individually, both techniques are already quite powerful, but together they offer the possibility to examine smallest objects chemically, combining spectral characterization with spatial resolution.
QCL IR microscopy allows for chemical imaging of microscopic samples by acquiring spatially resolved spectral information. But instead of spending the time to capture a full IR spectrum at each measurement point, it enables you to focus on a specific spectral range and thereby increases the imaging speed by an order of magnitude.
FT-IR micro spectroscopy can be significantly augmented by QCL-based IR microscopy, because of the complementary nature of both techniques. Although modern QCLs cover the entire spectral fingerprint region, the full Mid-IR region is, however, not yet accessible. This becomes particularly apparent since a broad spectral range is an innate strength of FT-IR and extending the range of QCL systems comes at a significant cost.

MALDI mass spectrometry imaging is a constantly evolving tool for the study of the spatial localization of many compounds in biological systems. One recent development is SpatialOMx^®, where MALDI mass spectrometry imaging is used to define regions of interests in biological systems that are excised from the tissue and submitted for classical omics workflows. SpatialOMx^® enables the deeper understanding of biochemical activity in the regions of interests and correlates it to tissue pathology by combining MALDI imaging with LC-MS workflows.
We present the portfolio of solutions Bruker offers for mass spectrometry imaging covering the whole MALDI workflow from the sample preparation to data analysis. The timsTOF fleX MALDI 2 mass spectrometer with microGRID enables the high sensitivity, high spatial resolution imaging of metabolites, lipids, glycans and peptides from tissue samples and LC-MS/MS based omics workflows enabling SpatialOMx^® experiments on a single mass spectrometer.
The MALDI HiPLEX-IHC developed by AmberGen, Inc. allows the parallel imaging of more than hundred intact proteins (Multiplex) in a single MALDI imaging run, the combination of intact protein imaging data with metabolite, lipid or glycan imaging data (Multiomic), as well as the possibility of fluorescent microscopy (Multimodal), all from a single tissue section.
We will also showcase QCL-based IR microscopy and MS Imaging complementing each other to reveal the distinct isolation of tissue characteristics in a liver cancer sample.

Innovative aspects: 

• Hybrid QCL & FT-IR imaging System
• MALDI HiPLEX-IHC Imaging

Microplastic Characterization and Screening by Combining DART and HR-Mass Spectrometry

Speaker:

Martina Macht, Bruker Daltonics GmbH & Co. KG, Bremen, Germany

Abstract:

Microplastics are small particles (≤ 5mm) arising from both commercial product development and the breakdown of material from various commercial sources like cosmetics, clothing, and packaging. They are abundant at an alarming level in our marine life and drinking water. Direct Analysis in Real Time (DART)-high resolution mass spectrometry allows for a rapid fingerprinting of environmental microplastics and the screening of additives.
DART was coupled to a thermal desorption system (IonRocket, Biochromato Inc., Japan). Mass analysis was performed by an impact QTOF (both Bruker, Germany). Traditional GC/MS methods require extensive sample preparation (10-20 minutes) and have long analysis times (> 20 minutes). This new method allows for rapid analysis of polymers (< 5 minutes) with no sample preparation and chromatography.
Thousands of discrete peaks from different additives, the polymeric basis as well as degradation products are released and detected at different time points of the thermal desorption. The combination of DART with HRMS allows for rapid fingerprinting of environmental microplastics and the identification of unknown compounds with high mass accuracy, and for back-tracking to their original material.

Solving the PFAS Challenge: Comprehensive Screening of 1000s Relevant Compounds in a Single Run from Organisms at Different Trophic Levels

Speaker:

Arnd Ingendoh, Bruker Daltonics GmbH & Co. KG, Bremen, Germany

Abstract:

Per- and Polyfluoroalkyl Substances (PFAS) are known as “forever chemicals” due to their persistent, bio-accumulative and toxic (PBT) properties and ubiquitous presence in the environment and organisms. Around 5,000 PFAS are marketed worldwide, making their systematic environmental monitoring an extremely challenging task. Adding trapped ion mobility spectrometry (TIMS) to HPLC-HRMS allows the very comprehensive monitoring of PFAS in complex environmental matrices through targeted and untargeted workflows.
Data independent (bbCID) acquisition and PASEF^®, an efficient data-dependent acquisition mode, were used for targeted and untargeted workflows, respectively. The detected features were lined up by Kendrick mass analysis and annotated using a PFAS suspect list of ca. 5,000 compounds. In-silico prediction of MS/MS spectra and CCS values for the suspected compounds was performed for their identification.
The ion mobility resulted in higher sensitivity and lower detection limits of the targeted PFAS as well as significantly higher quality of full-scan MS and bbCID MS/MS spectra. It provides a comprehensive solution for the characterization of PFAS in complex environmental matrices and will assist in understanding the chemical universe of PFAS in the environment and protecting environment, wildlife, and human health.

Streamlined data analysis for Metabolomics and Lipidomics

Speakers:

Stefanie Wernisch, Bruker Daltonics GmbH & Co. KG, Bremen, Germany
Nikolas Kessler, Bruker Daltonics GmbH & Co. KG, Bremen, Germany

Abstract:

Data analysis remains one of the most challenging, time consuming steps in metabolomics and lipidomics workflows. MetaboScape facilitates streamlined evaluation of “3D” LC-MS/MS and “4D” (including ion mobility) metabolomics data within a single software package. From feature finding to statistical evaluation and pathway mapping, dedicated workflows for metabolomics and lipidomics assist the user with confident annotation of unknown features and biomarker identification and validation. Specifically, we will demonstrate the unique capabilities of trapped ion mobility spectrometry (tims) enabled, collisional cross section (CCS)-based feature annotation for lipidomics.

Innovative aspects 

• CCS for rapid quantification of up to 5000 different PFAS species in single runs
• Chromatography-free pyrolysis coupled with rapid and direct mass spectrometry
• MetaboScape software integrates data processing and annotations steps with CCS-based feature annotation in both metabolomics and lipidomics studies