Research Projects

At the University of Münster, many different projects from diverse research areas use mass spectrometry. Here, some of them are briefly introduced.

Research Project Description Instruments
Biology    

Metabolomics

Prof. Dr. T. Ischebeck

Identification and quantification of sterols, terpenes, sugars, amino acids, organic acids, volatiles.

This methodology is used to study the role of lipid droplets and their associated proteins in metabolism.

Furthermore, we apply metabolomics to quantify products and intermediates in biotechnological approaches, and in collaborative efforts.
GC-Q/TOF (Agilent 7250)
GC-FID

Evolution and genetic architecture of chemical communication

Prof. Dr. J. Gadau
We use a combination of detailed phenotypic analysis (GC-MS, quantitative genetics (QTL analysis,qPCR), genetic manipulations to determine and confirm which genes/gene families are involved in chemical communication involved in colony, caste and species recognition. GC-MS/MS (GC-QQQ)

CANMORE: N-terminal modifications of plastid-encoded proteins

Prof. Dr. I. Finkemeier
Chloroplasts primarily function as bioreactors converting light into chemical energy. In addition, they also act as regulatory hubs for intracellular communication and mediation of environmental impacts. Chloroplast proteins are encoded either by the plastid or nuclear genome. Several chloroplast multi-protein complexes, are assembled from plastid- as well as nuclear-encoded protein subunits. All nuclear and plastid-encoded chloroplast-localized proteins undergo many co- and post-translational modifications. The aim of CANMORE is to elucidate the role(s) of specific plastid N-terminal modifications (NPMs) and their regulatory interdependency with other PTMs including the N-terminal maturation of the RuBisCO large subunit. nanoLC-MS/MS (Orbitrap Eclipse 480,  Orbitrap Eclipse Tribred)

REDOX: The cytosolic redox network in plants

Prof. Dr. I. Finkemeier
Thiol redox regulatory networks are a common feature of all plasmatic cell compartments. These redox networks control many processes such as metabolic functions and signaling. This project will address the competition for electrons, the specificity of the interactions and the kinetics of redox processes in the cytosol of Arabidopsis thaliana. The propagation and transmission of an oxidative stimulus is examined in time-resolved measurements. Redox modifications of thiols are analyzed in this system using high-resolution, quantitative mass spectrometry (MS)-based proteomics. nanoLC-MS/MS (Orbitrap Eclipse 480,  Orbitrap Eclipse Tribred)

NAD-SIGNAL

Prof. Dr. I. Finkemeier

Mitochondria act as central energy converters in most complex organisms and are deeply embedded into the cellular metabolic network. Mitochondrial metabolism is particularly flexible in plants and can rapidly switch between different programs to integrate changing environmental conditions. In this project we address the hypothesis that cyto-nuclear NAD status links mitochondrial metabolic flexibility to reprogramming of nuclear gene expression. We will modulate mitochondrial enzymes in Arabidopsis to re-route subcellular metabolism and understand the physiological mechanisms behind mitochondria-controlled modulation of cyto-nuclear NAD status by post-translational modification and protein interactions studies.

nanoLC-MS/MS (Orbitrap Eclipse 480,  Orbitrap Eclipse Tribred)
Chemistry    

Studies on the structure, function and interaction of non-ribosomal peptide synthetases

Prof. Dr. H. Mootz
The modules of non-ribosomal peptide synthetases (NRPS) involved in the biosynthesis of numerous antibiotic active ingredients are a research subject that we are working on using bioanalytical mass spectrometry. Using high-resolution, LC-coupled MS on intact proteins, we monitor the loading of individual NRPS modules with amino acids and quantify the di- and tripeptides formed by the interaction of several modules. Using nano-LC-MS² studies on proteolytic digests of NRPS modules with specifically incorporated photoreactive amino acids, we investigate both the interaction between modules and structural changes during the catalytic cycle of peptide formation. nanoLC- / UHPLC-HR-QTOF (Bruker maXis II mit Thermo UltiMate™ 3000 RSLC und RSLCnano)

Analysis of lipids (e.g. fatty acids, phospholipids, sphingolipids, Lipid A, lipopeptides)

Prof. Dr. H. Hayen
Identification and quantification of free and esterified fatty acids: Hydrolysis and derivatization of fatty acids prior GC-MS analysis
Profiling of (oxidized) phospholipids and sphingolipids: Heart-cut 2D-HPLC coupled to HR-MS/MS
Comprehensive determination of nonpolar and polar lipids based on SFC with MS and charged aerosol detection
Structural characterization of complex lipids like Lipid A or lipopeptides by LC-MS/MS
GC-MS (EI or CI)
2D-HPLC-ESI-MS (Q Exactive plus)
SFC-ESI-MS (Q Exactive plus)
(or: APCI, APPI, DBDI)
RP-HPLC-ESI-MS (Q Exactive plus or qMSn on LTQ XL)

Determination of polar metabolites (e.g. trimethylamine, coenzyme A derivatives, oxalic acid)

Prof. Dr. H. Hayen
Quantification of selected metabolites, e.g. oxalic acid, by LC-MS/MS
Non target analysis of polar anionic metabolites by IC and high resolution MS
Online SPE-ESI-MS (Q Exactive plus or TSQ Vantage)
(ESI, APCI, APPI, DBDI)
CapIC-MS (ICS 4000 andQ Exactive plus)

Characterization of biosurfactants (e.g. rhamnolipids, sophorolipids)

Prof. Dr. H. Hayen
Identification and quantification of rhamnolipids by HPLC or SFC coupled to HR-MS/MS or triple quadrupole MS/MS
Characterization of glycolipid-based biosurfactants by HPLC-MS/MS and SFC-MS/MS

RP-HPLC-ESI-MS and SFC-ESI-MS (Q Exactive plus or TSQ Vantage)
RP-HPLC-ESI-MS and SFC-ESI-MS (Q Exactive plus or MSn on LTQ XL)

Human Biomonitoring of Mycotoxins

Prof. Dr. H. Humpf
Assessment of the exposure to mycotoxins, the toxic metabolites of mold, is a critical step for risk assessment. Based on UHPLC-MS/MS systems with optional online SPE, we apply and further develop state-of-the-art methodologies for assessment mycotoxins and mycotoxin metabolites in blood and urine samples in cohorts up to several thousand participants.  UHPLC-MS/MS (Sciex 7500, QTrap 6500)

Metabolomics

Prof. Dr. H. Humpf
For a comprehensive understanding of the mode of action of bioactive substances, it is essential to investigate their influence on the metabolome in the cell. By analyzing a broad spectrum of target analytes, changes, activations and impairments of a broad spectrum of metabolic pathways can be visualized.

UHPLC-MS/MS (Bruker Evoq Elite) UHPLC-QTOF (Bruker Impact II)

Impact of food processing on contaminants

Prof. Dr. H. Humpf
Thermal food processing such as roasting, baking, toasting or extrusion cooking has a strong impact on food quality as well as sensory properties. These processes can additionally lead to a reduction of levels of unwanted contaminants such as mycotoxins, improving food safety. However, during thermal processes, also unwanted, process-related contaminants such as acrylamide and furans are formed. Here we investigate the effect of different processes and technologies to improve food quality by reducing the formation of process related contaminants and optimizing the degradation of mycotoxins.

UHPLC-MS/MS (Sciex 5500 QTrap) GC-MS (Agilent 5975C, SPME)

Geo Sciences    

Occurrence and bioavailability of polycyclic aromatic compounds (PAC)

Prof. Dr. C. Achten

In the group of PAC, including polycyclic aromatic hydrocarbons (PAH) and NSO-PAC, thousands of substances are summarized. The 16 EPA-PAH only represent a very small part of this group. Toxic non-EPA-PAH need to be identified and included in regulation by (a) development of appropriate analytical procedures, (b) studying their occurrence in the environment and (c) toxicity and bioavailability. GC-APLI-TOFMS

Australian carbon shelf burial

Dr. A. Del Gaudio & Jun.-Prof. D. De Vleeschouwer

This project involves carbon isotope analyses of carbonate and organic matter, as well as total organic carbon measurements, to quantify changes in export productivity and organic carbon burial on the West Australian Shelf.

Isotope ratio mass spectrometry (IRMS)

SCATTER

J. Quabeck & Jun.-Prof. D. De Vleeschouwer

This project investigates a potential systematic link between the flux of cosmic material and Earth's orbital eccentricity throughout the Phanerozoic. Subject of this study are cyclic Late Devonian and Early Carboniferous sequences in the Ardennes and the Rhenish Massif. These sediments enable the reconstruction of paleoclimatic shifts in relation to cyclic changes in insolation.

Isotope ratio mass spectrometry (IRMS)

The nature and abundance of Earth’s ‘depleted’ mantle

Prof. Dr. A. Stracke

We use radiogenic isotope ratios of Sr-Nd-Hf-Pb measured by TIMS and MC-ICPMS, as well as trace element concentrations measured by SF-ICPMS and LA-ICPMS in oceanic mantle rocks, abyssal peridotites, basalts and melt inclusions to investigate the chemical evolution of Earth’s mantle.

MC-ICPMS, TIMS, SF-ICPMS, LA-ICPMS
Medicine    

Translational Microbiology

Prof. Dr. F. Schaumburg

Rapid information on antibiotic susceptibility is crucial in order to optimise the treatment of seriously ill patients. However, these results are usually only available 18-24 hours after identification of the bacterial species, which is usually carried out using MALDI-TOF mass spectrometry. The mass spectrometric data could also be used to predict antibiotic resistance. Together with colleagues from the Institute of Biometry and Clinical Research, we are investigating how this prediction can be optimised.

Sirius One, Bruker

Characterization of protein glycosylation

Dr. M. Mormann

Glycoproteins are key players in the development, growth, function, or survival of an organism and their relationship of structure, location and function is an important feature in life sciences. Thus, we are aiming at the development and implementation of techniques and methodologies to probe protein N- and O-glycosylation. Waters SYNAPT G2-S Mass Spectrometer

MALDI-2

Prof. Dr. K. Dreisewerd
MALDI-2 is a new postionization method that can enhance the ion yields, and thus improves the detection limits for numerous classes of analytes. In fundamental studies we aim to better understand and further enhance this and further postionization techniques. SYNAPT G2-S and Q Exactive plus orbitrap, both with MALDI-2 modules; the SYNAPT is equipped with a wavelength tunable UV-laser and both UV- and IR-lasers for material ablation

MALDI-2 MS imaging

Prof. Dr. K. Dreisewerd

A major application of the postionization techniques is its use in MS imaging. In this regard we cooperate with numerous expert colleagues and within larger consortia to apply the method. Just two out many examples would be the visualization of retina and infected tissue

TimsTOF fleX MALDI-2 and Q Exactive plus orbitrap with MALDI-2 ion source

t-MALDI-2-MSI

Prof. Dr. K. Dreisewerd
To enhance the lateral resolution of the MSI measurement to the µm-level we develop transmission mode MALDI-2 instrumentation. Q Exactive plus orbitrap

Single-cell and correlative analysis

Prof. Dr. K. Dreisewerd

Development of techniques that enable deciphering the chemical heterogeneity of single cells from including MSI, optical, and bioinformatics tools. Concerning the correlative analyses, a special focus is on neutrophils within the SFB/TRR 332 “Neutrophile Granulozyten: Entwicklung, Verhalten und Funktion”.

timsTOF fleX MALDI-2, Q Exactive plus orbitrap with MALDI-2 ion source

Microbial MALDI-MSI

Prof. Dr. K. Dreisewerd
The application of MALDI-MSI for deciphering the chemical composition of bacterial cultures and biofilms is relatively new but comes with a high potential for microbiological research. We develop methods that can enable a robust and safe analysis of various bacterial strains (including pathogens) and co-cultures competing strains. A special focus is on the use of the method within the SPP 2389 “Emergent Functions of Bacterial Multicellularity” (SPP 2389)”. TimsTOF fleX MALDI-2, SYNAPT G2-S with MALDI-2 ion source

Instrumentation, method development and applications of biomolecular MS

Prof. Dr. S. König

Focus on protein and peptide analysis with RP-LC-MS/MS, but also investigation of small molecules.

Synapt G2 Si
Q-TOF Premier
Esquire 3000

Proteomics of gastritis, gastric ulcer and cancer

Prof. Dr. S. König

A diagnosis of gastric cancer relies on histopathology. Endoscopy rates are increasing. Helicobacter pylori infection is a major risk factor. To elucidate abundant blood biomarkers, and reduce the number of diagnostic surgical interventions, we investigated sera and biopsies from a cohort of 219 H. pylori positive and negative patients diagnosed with gastric cancer, gastritis, and ulcers.

Cooperation project with the University of Islamabad.

Synapt G2 Si

Serum activity of angiotensin and carboxypeptidase N/renin-angiotensin system

Prof. Dr. S. König

Development of a neuropeptide reporter assay for research into Sudeck's disease and other diseases, complementary serum protein expression measurement. Synapt G2 Si

Determination of protoporphyrin IX in the serum of glioblastoma patients

Prof. Dr. S. König

Determination and characterisation of protoporphyrin IX biomarkers in the serum of glioblastoma patients.

Cooperation with the neurosurgery of the UKM.

Esquire 3000
Münster Electrochemical Energy    

Electrolyt Aging

MEET

Non-aqueous electrolytes and ionic liquids are important components in lithium ion batteries. Up to now, numerous investigations on the characterization of degradation products, including structural, qualitative and quantitative information were performed as well as the proposal of reaction mechanisms. But still, the degradation products and mechanisms are not explained in detail or verified in literature. SPME/HS-GC-MS, GC-OrbiTrap, 2D-IC-MS, LC-IT-TOF-MS, CE-QTOF-MS, GC-APCI-QTOF-MS, CE-MS, Hyphenation to ICP-MS

Interphases, Transition Metal Dissolution, Lithium Distribution

MEET

Metal dissolution and metal migration of the cathode and the corresponding deposition of these metals on the graphitic anode are known harmful degradation effects, especially for the formed solid electrolyte interphase on the surface of the anode. In addition, lithium can be “lost” or immobilized during charge/discharge and is therefore no longer available as an electrochemically active cation. LA-ICP-MS, GD-MS, ToF-SIMS

Recycling

MEET

LIB material characterization is inevitable in the context of material recycling. Evaluation and adjustment of recycling procedures requires reliable and comprehensive information of the feedstock, which means reverse engineering in most cases since no information about e.g. cell chemistry is available. SPME/HS-GC-MS, GC-OrbiTrap, 2D-IC-MS, LC-IT-TOF-MS, CE-QTOF-MS, GC-APCI-QTOF-MS, CE-MS, Hyphenation to ICP-MS, LA-ICP-MS, GD-MS, ToF-SIMS
Pharmacy    

Aminosteroids and Aminotriterpenes as antiprozoal agents

Prof. Dr. T. Schmidt
We identified Aminosteroids and Aminotriterpenes from Apocyncaceae and Buxaceae as very potent antiprotozoal agents, especially against Malaria and Sleeping Sickness. Search for further compounds of these types in related plants is under way in various projects. UHPLC-QTOF (Bruker MicrOTOF QII with Dionex RSLC 3000)

ADMET properties of Sesquiterpene lactones as antiprotozoal agentes

Prof. Dr. T. Schmidt
Sesquiterpene lactones from Arnica are currently under study as new medication for cutaneous Leishmaniasis. Here we investigate the biopharmaceutical behaviour (skin penetration, metabolism, pharmacokinetics) of these promising natural products. UHPLC-QTOF (Bruker MicrOTOF QII with Dionex RSLC 3000)

Essential oils as anti-Mycetoma agents

Prof. Dr. T. Schmidt
Certain essential oils were discovered by us to have strong activity against the pathogens of Mycetoma, a fungal/bacterial neglected disease. We strive to find the constituents responsible for this activity. GC-QTOF MS (Agilent 7250 GC/QTOF mit 7890 GC)

Bioanalysis of drugs from small volumes

Prof. Dr. G. Hempel

Quantitative determination of drugs by VAMS and DBS in biological fluids (capillary blood, venous blood, plasma, etc.) mainly from the therapeutic areas of antipsychotics, antibiotics, cytostatics and antifungals

UHPLC-MS/MS (Sciex QTrap 6500+)

Population pharmacokinetics

Prof. Dr. G. Hempel

Population pharmacokinetics and pharmacokinetics dynamics modeling.

UHPLC-MS/MS (Sciex QTrap 6500+)

Enzyme assay studies

Prof. Dr. M. Lehr

Enzyme assay studies for inhibitor screening of potential therapeutic substances in the area of cytosolic phospholipase A2a, phospholipase C, fatty acid amid hydrolase, monoacylglycerol lipase and copper containing amine oxidase 3 (AOC3)

UHPLC-MS/MS (Sciex QTrap 6500+)

UHPLC-QTOF (Bruker MicrOTof QII with Dionex RSLC 3000)

Preclinical Pharmacokinetics

Prof. Dr. M. Lehr

Preclinical pharmacokinetics

  • Investigation of potential drug substances for in vitro and in vivo metabolism
  • Structural elucidation of metabolites
  • Log D-/P-value determination
  • Solubility determination
  • caco-2 permeability assay

UHPLC-MS/MS (Sciex QTrap 6500+)

UHPLC-QTOF (Bruker MicrOTof QII with Dionex RSLC 3000)

Lipidomics

Prof. Dr. M. Lehr

Lipidomics of

  • Eicosanoids
  • Fatty acids and derivates
  • Monoacylglycerols and derivates
  • Diacylglycerols and derivates

UHPLC-MS/MS (Sciex QTrap 6500+)

UHPLC-QTOF (Bruker MicrOTof QII with Dionex RSLC 3000)

Preclinical Pharmacokinetics

Prof. Dr. B. Wünsch

Preclinical pharmacokinetics

  • in vitro and in vivo metabolism of novel pharmacologically active drugs and tool compounds
  • Structural elucidation of metabolites
  • Log D-/P-value determination

UHPLC-MS/MS (Sciex QTrap 6500+)

Determination of Receptor Affinity

Prof. Dr. B. Wünsch

Determination of receptor affinity of potential therapeutic compounds using non-radiolabeled reference compounds.

UHPLC-MS/MS (Sciex QTrap 6500+)

Reaction Control and Structure Confirmation of Synthetic Compounds

Prof. Dr. B. Wünsch

Reaction controls and structure confirmation of synthetic compounds from drug discovery. UHPLC-MS/MS (Sciex QTrap 6500+)

Bioanalytic of Small Molecules

Dr. J. Fabian

Quantitative determination of small molecules in different biological matrices.

UHPLC-MS/MS (Sciex QTrap 6500+)

UHPLC-QTOF (Bruker MicrOTof QII with Dionex RSLC 3000)

Structural Elucidation of Small Molecules

Dr. J. Fabian

Structural elucidation of small molecules

  • degradation products in drug solutions or stability samples
  • by-products in drug manufacture

UHPLC-MS/MS (Sciex QTrap 6500+)

UHPLC-QTOF (Bruker MicrOTof QII with Dionex RSLC 3000)

Lipidomics

Dr. J. Fabian

Lipidomics

  • determination of eicosanoids, MAG, FA, DAG in cell lysates
  • cholesterol metabolism of cell lines

UHPLC-MS/MS (Sciex QTrap 6500+)

UHPLC-QTOF (Bruker MicrOTof QII with Dionex RSLC 3000)