Gröger Lab
Comprehensive Separation
"Comprehensive Separation" represents the interface between the main research areas "Enabling Analytical Technologies" and "Aerosols and Health". New and state-of-the-art analytical instruments and methods are developed and applied in "Aerosols and Health" and in other areas of environmental health.
About our research
"Comprehensive Separation" conducts research at the interface of the JMSC's two main research areas, "Enabling Analytical Technologies" and "Aerosols and Health". The scientific goals are to develop and implement new and state-of-the-art analytical tools and methods for their application in the fields of environmental health. Key techniques are comprehensive two-dimensional gas chromatography (GC×GC) in combination with highly selective spectroscopic and mass spectrometric detection systems. In addition, thermal sample insertion techniques such as direct insertion probe (DIP) and various thermal analysis (TA) approaches in combination with soft ionization techniques are also established and used to extend the applied interfaces of gas phase ionization to less and non-volatile matrices. Another focus is the comprehensive and state-of-the-art data processing and data analysis of the generated multidimensional data.
"Comprehensive Separation" offers a broad spectrum of projects with a clear focus on the priorities of Helmholtz Munich and the JMSC. Internal and third-party funded projects in recent years have focused on diabetes research, allergy research, and aerosols and health. These interdisciplinary studies have always aimed at bridging the gap between chemical analysis and biological response. In this context, the close interaction with other institutes on the HMGU campus, as well as the JMSC topics "Aerosol Toxicology" and "Aerosol Mutagenesis" are becoming increasingly important.
The goal is the subsequent application of the developed techniques for aerosol and health research. An example of such successful collaboration and subsequent transfer of scope is the establishment of an analytical platform for the study of less volatile and highly complex petroleum products. The platform allows the simultaneous application of different thermal methods such as Direct Inlet Probe (DIP), Thermal Analysis (TA) or high temperature GC×GC coupled with a high resolution time-of-flight mass spectrometer.
This successfully established platform is being used in a new project to study pharmaceutical raw materials and identify pharmacologically active ingredients with similar complexity to petroleum-based matrices (Paper Käfer, Tiemann?). In this context, collaboration with analytical system manufacturers is instrumental in maintaining the analytical technical level and availability of state-of-the-art analytical platforms at the JMSC and HMGU. However, a unifying feature of all these projects is the methodological approach of non-targeted and comprehensive chemical analysis.
Head of Comprehensive Chromatographic Separation
Postdoc
PhD Student
PhD Student
Publications
Gawlitta, N. ; Orasche, J. ; Geldenhuys, G.L. ; Jakobi, G. ; Wattrus, M. ; Jennerwein, M. ; Michalke, B. ; Gröger, T.M. ; Forbes, P. ; Zimmermann, R.
A study on the chemical profile and the derived health effects of heavy-duty machinery aerosol with a focus on the impact of alternative fuels.Schwalb, L. ; Tiemann, O. ; Käfer, U. ; Gröger, T.M. ; Rüger, C.P. ; Gayko, G. ; Zimmermann, R.
Analysis of complex drugs by comprehensive two-dimensional gas chromatography and high-resolution mass spectrometry: Detailed chemical description of the active pharmaceutical ingredient sodium bituminosulfonate and its process intermediates.Hartner, E. ; Paul, A. ; Käfer, U. ; Czech, H. ; Hohaus, T. ; Gröger, T.M. ; Sklorz, M. ; Jakobi, G. ; Orasche, J. ; Jeong, S. ; Brejcha, R. ; Ziehm, T. ; Zhang, Z.H. ; Schnelle-Kreis, J. ; Adam, T. ; Rudich, Y. ; Kiendler-Scharr, A. ; Zimmermann, R.
On the complementarity and informative value of different electron ionization mass spectrometric techniques for the chemical analysis of secondary Organic aerosols.Pardo, M. ; Offer, S. ; Hartner, E. ; Di Bucchianico, S. ; Bisig, B. ; Bauer, S. ; Pantzke, J. ; Zimmermann, E. ; Cao, X. ; Binder, S. ; Kuhn, E. ; Huber, A. ; Jeong, S. ; Käfer, U. ; Schneider, E. ; Mesceriakovas, A. ; Bendl, J. ; Brejcha, R. ; Buchholz, A. ; Gat, D. ; Hohaus, T. ; Rastak, N. ; Karg, E.W. ; Jakobi, G. ; Kalberer, M. ; Kanashova, T. ; Hu, Y. ; Ogris, C. ; Marsico, A. ; Theis, F.J. ; Shalit, T. ; Gröger, T.M. ; Rüger, C.P. ; Oeder, S. ; Orasche, J. ; Paul, A. ; Ziehm, T. ; Zhang, Z.H. ; Adam, T. ; Sippula, O. ; Sklorz, M. ; Schnelle-Kreis, J. ; Czech, H. ; Kiendler-Scharr, A. ; Zimmermann, R. ; Rudich, Y.
Exposure to naphthalene and β-pinene-derived secondary organic aerosol induced divergent changes in transcript levels of BEAS-2B cells.Candeias, J. ; Zimmermann, E. ; Bisig, B. ; Gawlitta, N. ; Oeder, S. ; Gröger, T.M. ; Zimmermann, R. ; Schmidt-Weber, C.B. ; Buters, J.T.M.
The priming effect of diesel exhaust on native pollen exposure at the air-liquid interface.Offer, S. ; Hartner, E. ; Di Bucchianico, S. ; Bisig, B. ; Bauer, S. ; Pantzke, J. ; Zimmermann, E. ; Cao, X. ; Binder, S. ; Kuhn, E. ; Huber, A. ; Jeong, S. ; Käfer, U. ; Martens, P. ; Mesceriakovas, A. ; Bendl, J. ; Brejcha, R. ; Buchholz, A. ; Gat, D. ; Hohaus, T. ; Rastak, N. ; Jakobi, G. ; Kalberer, M. ; Kanashova, T. ; Hu, Y. ; Ogris, C. ; Marsico, A. ; Theis, F.J. ; Pardo, M. ; Gröger, T.M. ; Oeder, S. ; Orasche, J. ; Paul, A. ; Ziehm, T. ; Zhang, Z.H. ; Adam, T. ; Sippula, O. ; Sklorz, M. ; Schnelle-Kreis, J. ; Czech, H. ; Kiendler-Scharr, A. ; Rudich, Y. ; Zimmermann, R.
Effect of atmospheric aging on soot particle toxicity in lung cell models at the air-liquid interface: Differential toxicological impacts of biogenic and anthropogenic Secondary Organic Aerosols (SOAs).Zhang, Z.H. ; Hartner, E. ; Utinger, B. ; Gfeller, B. ; Paul, A. ; Sklorz, M. ; Czech, H. ; Yang, B.X. ; Su, X.Y. ; Jakobi, G. ; Orasche, J. ; Schnelle-Kreis, J. ; Jeong, S. ; Gröger, T.M. ; Pardo, M. ; Hohaus, T. ; Adam, T. ; Kiendler-Scharr, A. ; Rudich, Y. ; Zimmermann, R. ; Kalberer, M.
Are reactive oxygen species (ROS) a suitable metric to predict toxicity of carbonaceous aerosol particles?Gawlitta, N. ; Zimmermann, E. ; Orasche, J. ; Huber, A. ; Buters, J.T.M. ; Di Bucchianico, S. ; Oeder, S. ; Gröger, T.M. ; Zimmermann, R.
Impact of volatile and semi-volatile organic compounds from farming environments on allergy-related cellular processes.Fang, Z. ; Li, C. ; He, Q. ; Czech, H. ; Gröger, T.M. ; Zeng, J. ; Fang, H. ; Xiao, S. ; Pardo, M. ; Hartner, E. ; Meidan, D. ; Wang, X. ; Zimmermann, R. ; Laskin, A. ; Rudich, Y.
Secondary organic aerosols produced from photochemical oxidation of secondarily evaporated biomass burning organic gases: Chemical composition, toxicity, optical properties, and climate effect.Pardo, M. ; Li, C. ; Fang, Z. ; Levin-Zaidman, S. ; Dezorella, N. ; Czech, H. ; Martens, P. ; Käfer, U. ; Gröger, T.M. ; Rüger, C.P. ; Friederici, L. ; Zimmermann, R. ; Rudich, Y.
Toxicity of water- and organic-soluble wood tar fractions from biomass burning in lung epithelial cells.Koch, A. ; Bergelt, P. ; Fiala, P. ; Käfer, U. ; Orasche, J. ; Bauer, S. ; Di Bucchianico, S. ; Stintz, M. ; Gröger, T.M. ; Streibel, T. ; Zimmermann, R.
Investigation of chemical composition and fiber-occurrence in inhalable particulate matter obtained from dry cutting processes of carbon fiber reinforced concrete composite, concrete and the carbon fiber reinforcement materials.Weggler, B.A. ; Dubois, L.M. ; Gawlitta, N. ; Gröger, T.M. ; Moncur, J. ; Mondello, L. ; Reichenbach, S. ; Tranchida, P. ; Zhao, Z. ; Zimmermann, R. ; Zoccali, M. ; Focant, J.F.
A unique data analysis framework and open source benchmark data set for the analysis of comprehensive two-dimensional gas chromatography software.Neumann, A. ; Käfer, U. ; Gröger, T.M. ; Wilharm, T. ; Zimmermann, R. ; Rueger, C.P.
Investigation of aging processes in bitumen at the molecular level with high-resolution fourier-transform ion cyclotron mass spectrometry and two-dimensional gas chromatography mass spectrometry.Gröger, T.M. ; Käfer, U. ; Zimmermann, R.
Gas chromatography in combination with fast high-resolution time-of-flight mass spectrometry: Technical overview and perspectives for data visualization.Käfer, U. ; Gröger, T.M. ; Rohbogner, C.J. ; Struckmeier, D. ; Saraji-Bozorgzad, M.R. ; Wilharm, T. ; Zimmermann, R.
Detailed chemical characterization of bunker fuels by high-resolution time-of-flight mass spectrometry hyphenated to GC×GC and thermal analysis.Käfer, U. ; Gröger, T.M. ; Rüger, C.P. ; Czech, H. ; Saraji-Bozorgzad, M.R. ; Wilharm, T. ; Zimmermann, R.
Direct inlet probe - High-resolution time-of-flight mass spectrometry as fast technique for the chemical description of complex high-boiling samples.Reiss, R. ; Gruber, B. ; Klingbeil, S. ; Gröger, T.M. ; Ehlert, S. ; Zimmermann, R.
Evaluation and application of gas chromatography - vacuum ultraviolet spectroscopy for drug- and explosive precursors and examination of non-negative matrix factorization for deconvolution.Jennerwein, M. ; Eschner, M. ; Wilharm, T. ; Gröger, T.M. ; Zimmermann, R.
Evaluation of reversed phase versus normal phase column combination for the quantitative analysis of common commercial available middle distillates using GC x GC-TOFMS and Visual Basic Script.Jennerwein, M. ; Eschner, M.S. ; Wilharm, T. ; Zimmermann, R. ; Gröger, T.M.
Proof of concept of high-temperature comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry for two-dimensional simulated distillation of crude oils.Schwemer, T. ; Rössler, T. ; Ahrens, B. ; Schäffer, M. ; Hasselbach-Minor, A. ; Pütz, M. ; Sklorz, M. ; Gröger, T.M. ; Zimmermann, R.
Characterization of a heroin manufacturing process based on acidic extracts by combining complementary information from two-dimensional gas chromatography and high resolution mass spectrometry.Jennerwein, M. ; Sutherland, A.C. ; Eschner, M. ; Gröger, T.M. ; Wilharm, T. ; Zimmermann, R.
Quantitative analysis of modern fuels derived from middle distillates – The impact of diverse compositions on standard methods evaluated by an offline hyphenation of HPLC-refractive index detection with GC×GC-TOFMS.Weggler, B.A. ; Ly-Verdú, S. ; Jennerwein, M. ; Sippula, O. ; Reda, A. ; Orasche, J. ; Gröger, T.M. ; Jokiniemi, J. ; Zimmermann, R.
Untargeted identification of wood type-specific markers in particulate matter from wood combustion.Gruber, B. ; Gröger, T.M. ; Harrison, D. ; Zimmermann, R.
Vacuum ultraviolet absorption spectroscopy in combination with comprehensive two-dimensional gas chromatography for the monitoring of volatile organic compounds in breath gas: A feasibility study.Gruber, B. ; Keller, S. ; Gröger, T.M. ; Matuschek, G. ; Szymczak, W. ; Zimmermann, R.
Breath gas monitoring during a glucose challenge by a combined PTR-QMS/GC×GC-TOFMS approach for the verification of potential volatile biomarkers.Sapcariu, S.C. ; Kanashova, T. ; Dilger, M. ; Diabaté, S. ; Oeder, S. ; Passig, J. ; Radischat, C. ; Buters, J.T.M. ; Sippula, O. ; Streibel, T. ; Paur, H.R. ; Schläger, C. ; Mülhopt, S. ; Stengel, B. ; Rabe, R. ; Harndorf, H. ; Krebs, T. ; Karg, E.W. ; Gröger, T.M. ; Weiss, C. ; Dittmar, G. ; Hiller, K. ; Zimmermann, R.
Metabolic profiling as well as stable isotope assisted metabolic and proteomic analysis of RAW 264.7 macrophages exposed to ship engine aerosol emissions: Different effects of heavy fuel oil and refined diesel fuel.Gröger, T.M. ; Gruber, B. ; Harrison, D. ; Saraji-Bozorgzad, M.R. ; Mthembu, M. ; Sutherland, A.C. ; Zimmermann, R.
A fast vacuum ultraviolet absorption array spectrometer as a fast and selective detector for comprehensive two-dimensional gas chromatography: Concept and first results.Gröger, T.M. ; Sutherland, A. ; Gruber, B. ; Mthembu, M. ; Jennerwein, M. ; Eschner, M. ; Wilharm, T. ; Zimmermann, R.
State of the art technologies for a comprehensive chemical characterization of syncrude and downstream matrices.Oeder, S. ; Kanashova, T. ; Sippula, O. ; Sapcariu, S.C. ; Streibel, T. ; Arteaga-Salas, J.M. ; Passig, J. ; Dilger, M. ; Paur, H.R. ; Schläger, C. ; Mülhopt, S. ; Diabaté, S. ; Weiss, C. ; Stengel, B. ; Rabe, R. ; Harndorf, H. ; Torvela, T. ; Jokiniemi, J.K. ; Hirvonen, M.R. ; Schmidt-Weber, C.B. ; Traidl-Hoffmann, C. ; BéruBé, K.A. ; Wlodarczyk, A.J. ; Prytherch, Z. ; Michalke, B. ; Krebs, T. ; Prévôt, A.S. ; Kelbg, M. ; Tiggesbäumker, J. ; Karg, E.W. ; Jakobi, G. ; Scholtes, S. ; Schnelle-Kreis, J. ; Lintelmann, J. ; Matuschek, G. ; Sklorz, M. ; Klingbeil, S. ; Orasche, J. ; Richthammer, P. ; Müller, L. ; Elsasser, M. ; Reda, A. ; Gröger, T.M. ; Weggler, B.A. ; Schwemer, T. ; Czech, H. ; Rüger, C.P. ; Abbaszade, G. ; Radischat, C. ; Hiller, K. ; Buters, J.T.M. ; Dittmar, G. ; Zimmermann, R.
Particulate matter from both heavy fuel oil and diesel fuel shipping emissions show strong biological effects on human lung cells at realistic and comparable in vitro exposure conditions.Ly-Verdú, S. ; Gröger, T.M. ; Arteaga-Salas, J.M. ; Brandmaier, S. ; Kahle-Stephan, M. ; Neschen, S. ; Hrabě de Angelis, M. ; Zimmermann, R.
Combining metabolomic non-targeted GC×GC-ToF-MS analysis and chemometric ASCA-based study of variances to assess dietary influence on type 2 diabetes development in a mouse model.Jennerwein, M. ; Eschner, M. ; Gröger, T.M. ; Wilharm, T. ; Zimmermann, R.
Complete group-type quantification of petroleum middle distillates based on comprehensive two-dimensional Gas Chromatography Time-of-Flight Mass Spectrometry (GCxGC-TOFMS) and visual basic scripting.Sippula, O. ; Stengel, B. ; Sklorz, M. ; Streibel, T. ; Rabe, R. ; Orasche, J. ; Lintelmann, J. ; Michalke, B. ; Abbaszade, G. ; Radischat, C. ; Gröger, T.M. ; Schnelle-Kreis, J. ; Harndorf, H. ; Zimmermann, R.
Particle emissions from a marine engine: Chemical composition and aromatic emission profiles under various operating conditions.Weggler, B.A. ; Gröger, T.M. ; Zimmermann, R.
Advanced scripting for the automated profiling of two-dimensional gas chromatography-time-of-flight mass spectrometry data from combustion aerosol.Hölzer, J. ; Fischer, M. ; Gröger, T.M. ; Streibel, T. ; Saraji-Bozorgzad, M. ; Wohlfahrt, S. ; Matuschek, G. ; Zimmermann, R.
Hyphenation of Thermogravimetry and Soft single Photon Ionization-Ion Trap Mass Spectrometry (TG-SPI-ITMS) for evolved gas analysis.Ly-Verdú, S. ; Schäfer, A. ; Kahle-Stephan, M. ; Gröger, T.M. ; Neschen, S. ; Arteaga-Salas, J.M. ; Ueffing, M. ; Hrabě de Angelis, M. ; Zimmermann, R.
The impact of blood on liver metabolite profiling - a combined metabolomic and proteomic approach.Saraji-Bozorgzad, M.R. ; Streibel, T. ; Eschner, M. ; Gröger, T.M. ; Geißler, R. ; Kaisersberger, E. ; Denner, T. ; Zimmermann, R.
Investigation of polymers by a novel analytical approach for evolved gas analysis in thermogravimetry.Eschner, M.S. ; Gröger, T.M. ; Horvath, T. ; Gonin, M. ; Zimmermann, R.
Quasi-simultaneous acquisition of hard electron ionization and soft single-photon ionization mass spectra during GC/MS analysis by rapid switching between both ionization methods: Analytical concept, setup, and application on diesel fuel.Eschner, M.S. ; Selmani, I. ; Gröger, T.M. ; Zimmermann, R.
Online comprehensive two-dimensional characterization of puff-by-puff resolved cigarette smoke by hyphenation of fast gas chromatography to single-photon ionization time-of-flight mass spectrometry: Quantification of hazardous volatile organic compounds.Gröger, T.M. ; Zimmermann, R.
Application of parallel computing to speed up chemometrics for GC×GC-TOFMS based metabolic fingerprinting.Saraji-Bozorgzad, M.R. ; Eschner, M. ; Gröger, T.M. ; Streibel, T. ; Geißler, R. ; Kaisersberger, E. ; Denner, T. ; Zimmermann, R.
Highly resolved online organic-chemical speciation of evolved gases from thermal analysis devices by cryogenically modulated fast gas chromatography coupled to single photon ionization mass spectrometry.Eschner, M.S. ; Welthagen, W. ; Gröger, T.M. ; Gonin, M. ; Fuhrer, K. ; Zimmermann, R.
Comprehensive multidimensional separation methods by hyphenation of single-photon ionization time-of-flight mass spectrometry (SPI-TOF-MS) with GC and GCxGC.Mieth, M. ; Schubert, J.K. ; Gröger, T.M. ; Sabel, B. ; Kischkel, S. ; Fuchs, P. ; Hein, D. ; Zimmermann, R. ; Miekisch, W.
Automated needle trap heart-cut GC/MS and needle trap comprehensive two-dimensional GC/TOF-MS for breath gas analysis in the clinical environment.Geissler, R. ; Saraji-Bozorgzad, M.R. ; Gröger, T.M. ; Fendt, A. ; Streibel, T. ; Sklorz, M. ; Krooss, B.M. ; Fuhrer, K. ; Gonin, M. ; Kaisersberger, E. ; Denner, T. ; Zimmermann, R.
Single photon ionization orthogonal acceleration time-of-flight mass spectrometry and resonance enhanced multiphoton ionization time-of-flight mass spectrometry for evolved gas analysis in thermogravimetry: Comparative analysis of crude oils.Gröger, T.M. ; Schäffer, M. ; Pütz, M. ; Ahrens, B. ; Drew, K. ; Eschner, M. ; Zimmermann, R.
Application of two-dimensional gas chromatography combined with pixel-based chemometric processing for the chemical profiling of illicit drug samples.Gröger, T.M. ; Welthagen, W. ; Mitschke, S. ; Schaeffer, M. ; Zimmermann, R.
Application of comprehensive two-dimensional gas chromatography mass spectrometry and different types of data analysis for the investigation of cigarette particulate matter.Zimmermann, R. ; Welthagen, W. ; Gröger, T.M.
Photo-ionisation mass spectrometry as detection method for gas chromatography. Optical selectivity and multidimensional comprehensive separations.Vogt, L. ; Gröger, T.M. ; Zimmermann, R.
Automated compound classification for ambient aerosol sample separations using comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry.Zimmermann, R. ; Welthagen, W. ; Gröger, T.M. ; Mühlberger, F.
Multidimensionale Analytik komplexer Systeme mit GC und MS.Contact
Head of Comprehensive Chromatographic Separation