Comprehensive Separation
Gröger Lab"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.
"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.
Scientists at Comprehensive Chromatographic Separation
Publications
2022 Scientific Article in Air quality, atmosphere & health Air qual. atoms. health 16, 535-551 (2022)
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.
2022 Scientific Article in Analytical and Bioanalytical Chemistry Anal. Bioanal. Chem., DOI: 10.1007/s00216-022-04393-w (2022)
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.
2022 Scientific Article in ACS Earth and Space Chemistry ACS Earth Space Chem. 6, 1358-1374 (2022)
On the complementarity and informative value of different electron ionization mass spectrometric techniques for the chemical analysis of secondary Organic aerosols.
2022 Scientific Article in Environment International Environ. Int. 166:107366 (2022)
Exposure to naphthalene and β-pinene-derived secondary organic aerosol induced divergent changes in transcript levels of BEAS-2B cells.
2022 Scientific Article in Environmental Research Environ. Res. 211:112968 (2022)
The priming effect of diesel exhaust on native pollen exposure at the air-liquid interface.
2022 Scientific Article in Environmental Health Perspectives Environ. Health Perspect. 130:27003 (2022)
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).
2022 Scientific Article in Atmospheric Chemistry and Physics Atmos. Chem. Phys. 22, 1793-1809 (2022)
Are reactive oxygen species (ROS) a suitable metric to predict toxicity of carbonaceous aerosol particles?
2021 Scientific Article in Exposure and Health Expo. Health, DOI: 10.1007/s12403-021-00429-1 (2021)
Impact of volatile and semi-volatile organic compounds from farming environments on allergy-related cellular processes.
2021 Scientific Article in Environment International Environ. Int. 157:106801 (2021)
Secondary organic aerosols produced from photochemical oxidation of secondarily evaporated biomass burning organic gases: Chemical composition, toxicity, optical properties, and climate effect.
2021 Scientific Article in Chemical Research in Toxicology Chem. Res. Toxicol. 34, 1588-1603 (2021)
Toxicity of water- and organic-soluble wood tar fractions from biomass burning in lung epithelial cells.
2021 Scientific Article in Aerosol Science and Technology Aerosol Sci. Technol. 5, 292–306 (2021)
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.
2021 Scientific Article in Journal of Chromatography A J. Chromatogr. A 1635:461721 (2021)
A unique data analysis framework and open source benchmark data set for the analysis of comprehensive two-dimensional gas chromatography software.
2020 Scientific Article in Energy & Fuels Energy Fuels 34, 10641-10654 (2020)
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.
2020 Review in TrAC Trends in Analytical Chemistry Trends Analyt. Chem. 122:115677 (2020)
Gas chromatography in combination with fast high-resolution time-of-flight mass spectrometry: Technical overview and perspectives for data visualization.
2019 Scientific Article in Energy & Fuels Energy Fuels 33, 10745-10755 (2019)
Detailed chemical characterization of bunker fuels by high-resolution time-of-flight mass spectrometry hyphenated to GC×GC and thermal analysis.
2019 Scientific Article in Talanta Talanta 202, 308-316 (2019)
Direct inlet probe - High-resolution time-of-flight mass spectrometry as fast technique for the chemical description of complex high-boiling samples.
2019 Scientific Article in Spectrochimica acta, Part A Spectrochim. Acta A 219, 129-134 (2019)
Evaluation and application of gas chromatography - vacuum ultraviolet spectroscopy for drug- and explosive precursors and examination of non-negative matrix factorization for deconvolution.
2019 Scientific Article in Fuel Fuel 235, 336-338 (2019)
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.
2017 Scientific Article in Energy & Fuels Energy Fuels 31, 11651-11659 (2017)
Proof of concept of high-temperature comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry for two-dimensional simulated distillation of crude oils.
2017 Scientific Article in Forensic Chemistry Forensic Chem. 4, 9-18 (2017)
Characterization of a heroin manufacturing process based on acidic extracts by combining complementary information from two-dimensional gas chromatography and high resolution mass spectrometry.
2017 Scientific Article in Fuel Fuel 187, 16-25 (2017)
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.
2016 Scientific Article in Environmental Science & Technology Environ. Sci. Technol. 50, 10073-10081 (2016)
Untargeted identification of wood type-specific markers in particulate matter from wood combustion.
2016 Scientific Article in Journal of Chromatography A J. Chromatogr. A 1464, 141-146 (2016)
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.
2016 Scientific Article in Journal of Breath Research J. Breath Res. 10:036003 (2016)
Breath gas monitoring during a glucose challenge by a combined PTR-QMS/GC×GC-TOFMS approach for the verification of potential volatile biomarkers.
2016 Scientific Article in PLoS ONE PLoS ONE 11:e0157964 (2016)
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.
2016 Scientific Article in Analytical Chemistry Anal. Chem. 88, 3031-3039 (2016)
A fast vacuum ultraviolet absorption array spectrometer as a fast and selective detector for comprehensive two-dimensional gas chromatography: Concept and first results.
DGMK-Forschungsbericht In: (DGMK International Conference - Synthesis Gas Chemistry, 7-9 October 2015, Dresden). 2015. 299-301 (DGMK-Forschungsbericht ; 2015)
State of the art technologies for a comprehensive chemical characterization of syncrude and downstream matrices.
2015 Scientific Article in PLoS ONE PLoS ONE 10:e0126536 (2015)
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.
2015 Scientific Article in Analytical and Bioanalytical Chemistry Anal. Bioanal. Chem. 407, 343-354 (2015)
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.
2014 Scientific Article in Energy & Fuels Energy Fuels 28, 5670-5681 (2014)
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.
2014 Scientific Article in Environmental Science & Technology Environ. Sci. Technol. 48, 11721-11729 (2014)
Particle emissions from a marine engine: Chemical composition and aromatic emission profiles under various operating conditions.
2014 Scientific Article in Journal of Chromatography A J. Chromatogr. A 1364, 241-248 (2014)
Advanced scripting for the automated profiling of two-dimensional gas chromatography-time-of-flight mass spectrometry data from combustion aerosol.
2014 Scientific Article in Journal of Thermal Analysis and Calorimetry J. Therm. Anal. Calorim. 116, 1471-1479 (2014)
Hyphenation of Thermogravimetry and Soft single Photon Ionization-Ion Trap Mass Spectrometry (TG-SPI-ITMS) for evolved gas analysis.
2014 Scientific Article in Biomedical Chromatography Biomed. Chromatogr. 28, 231-240 (2014)
The impact of blood on liver metabolite profiling - a combined metabolomic and proteomic approach.
2011 Scientific Article in Journal of Thermal Analysis and Calorimetry J. Therm. Anal. Calorim. 105, 859-866 (2011)
Investigation of polymers by a novel analytical approach for evolved gas analysis in thermogravimetry.
2011 Scientific Article in Analytical Chemistry Anal. Chem. 83, 3865-3872 (2011)
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.
2011 Scientific Article in Analytical Chemistry Anal. Chem. 83, 6619-6627 (2011)
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.
2011 Scientific Article in Talanta Talanta 83, 1289-1294 (2011)
Application of parallel computing to speed up chemometrics for GC×GC-TOFMS based metabolic fingerprinting.
2010 Scientific Article in Analytical Chemistry Anal. Chem. 82, 9644-9653 (2010)
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.
2010 Scientific Article in Analytical and Bioanalytical Chemistry Anal. Bioanal. Chem. 398, 1435-1445 (2010)
Comprehensive multidimensional separation methods by hyphenation of single-photon ionization time-of-flight mass spectrometry (SPI-TOF-MS) with GC and GCxGC.
2010 Scientific Article in Analytical Chemistry Anal. Chem. 82, 2541-2551 (2010)
Automated needle trap heart-cut GC/MS and needle trap comprehensive two-dimensional GC/TOF-MS for breath gas analysis in the clinical environment.
2009 Scientific Article in Analytical Chemistry Anal. Chem. 81, 6038-6048 (2009)
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.
2008 Scientific Article in Journal of Chromatography A J. Chromatogr. A 1200, 8-16 (2008)
Application of two-dimensional gas chromatography combined with pixel-based chemometric processing for the chemical profiling of illicit drug samples.
2008 Scientific Article in Journal of Separation Science J. Sep. Sci. 31, 3366-3374 (2008)
Application of comprehensive two-dimensional gas chromatography mass spectrometry and different types of data analysis for the investigation of cigarette particulate matter.
2008 Scientific Article in Journal of Chromatography A J. Chromatogr. A 1184, 296-308 (2008)
Photo-ionisation mass spectrometry as detection method for gas chromatography. Optical selectivity and multidimensional comprehensive separations.
2007 Scientific Article in Journal of Chromatography A J. Chromatogr. A 1150, 2-12 (2007)
Automated compound classification for ambient aerosol sample separations using comprehensive two-dimensional gas chromatography–time-of-flight mass spectrometry.
2006 Scientific Article in Nachrichten aus der Chemie Nachr. Chem. 54, 1115-1119 (2006)
Multidimensionale Analytik komplexer Systeme mit GC und MS.
