Kriukova, E. ; Mazurenka, M. ; Marcazzan, S. ; Tschurtschenthaler, M.* ; Puppels, G.J.* ; Glasl, S. ; Saur, D.* ; Jesinghaus, M.* ; Pouliou, M.* ; Agelopoulos, M.* ; Klinakis, A.* ; Quante, M.* ; Ripoll, J.* ; Ntziachristos, V. ; Gorpas, D.
Probing field cancerization in the gastrointestinal tract using a hybrid raman and partial wave spectroscopy microscope.
Anal. Chem. 97, 12642-12653 (2025)
Pieczonka, S. ; Thomas, M.J.* ; Schmitt-Kopplin, P. ; Marshall, J.W.*
Harmonization of FT-ICR-MS instruments for interoperable multi-laboratory comprehensive compositional profiling.
Anal. Chem. 97, 8491−8498 (2025)
Schuurman, J.L.* ; van Tetering, L.* ; Houthuijs, K.J.* ; Kooijman, P.* ; Gailus-Durner, V. ; Leuchtenberger, S. ; Fuchs, H. ; Hrabě de Angelis, M. ; Engelke, U.F.H.* ; Lefeber, D.J.* ; van Karnebeek, C.D.M.* ; Wevers, R.A.* ; Grgic, A.* ; Balluf, B.* ; Vandenbosch, M.* ; Vreeken, R.* ; Heeren, R.M.A.* ; Berden, G.* ; Oomens, J.* ; Martens, J.W.M.*
Structure elucidation for MALDI mass spectrometry imaging using infrared ion spectroscopy.
Anal. Chem., DOI: 10.1021/acs.analchem.5c00948 (2025)
Etscheidt, F.* ; Rüger, C.P.* ; Schwarz, C.* ; Tiemann, O.* ; Neumann, A.* ; Hansen, H.J.* ; Streibel, T. ; Ehlert, S.* ; Zimmermann, R.
Atmospheric pressure laser ionization Mass Spectrometry with tunable UV wavelength utilizing an optical parametric oscillator.
Anal. Chem., DOI: 10.1021/acs.analchem.4c05040 (2024)
Tiemann, O.* ; Rüger, C.P.* ; Schwalb, L. ; Chacón-Patiño, M.L.* ; Gröger, T.M. ; Zimmermann, R.
Rock-to-Pharma: Characterization of shale oil-based nonbiological complex drugs along the production process by high-resolution mass spectrometry.
Anal. Chem. 96, 13050-13060 (2024)
Yan, Y. ; Hemmler, D. ; Schmitt-Kopplin, P.
Discovery of glycation products: Unraveling the unknown glycation space using a mass spectral library from in vitro model systems.
Anal. Chem. 96, 3569-3577 (2024)
Glöckler, D.* ; Harir, M. ; Schmitt-Kopplin, P. ; Elsner, M.* ; Bakkour, R.*
Discriminative behavior of cyclodextrin polymers against dissolved organic matter: Role of cavity size and sorbate properties.
Anal. Chem. 95, 14582-14591 (2023)
Glöckler, D.* ; Harir, M. ; Schmitt-Kopplin, P. ; Elsner, M.* ; Bakkour, R.*
Selectivity of β-cyclodextrin polymer toward aquatic contaminants: Insights from ultrahigh-resolution mass spectrometry of dissolved organic matter.
Anal. Chem. 95, 15505-15513 (2023)
Salzer, L. ; Novoa-del-Toro, E.M.* ; Frainay, C.* ; Kissoyan, K.A.B.* ; Jourdan, F.* ; Dierking, K.* ; Witting, M.
APEX: An annotation propagation workflow through multiple experimental networks to improve the annotation of new metabolite classes in Caenorhabditis elegans.
Anal. Chem. 95, 17550–17558 (2023)
Schmidt, M. ; Irsig, R.* ; Duca, D. ; Peltz, C.* ; Passig, J. ; Zimmermann, R.
Laser-pulse-length effects in ultrafast laser desorption.
Anal. Chem. 95, 18776-18782 (2023)
Weidner, L. ; Hemmler, D. ; Rychlik, M. ; Schmitt-Kopplin, P.
Real-time monitoring of miniaturized thermal food processing by advanced mass spectrometric techniques.
Anal. Chem. 95, 1694-1702 (2023)
Berger, M. ; Hemmler, D. ; Diederich, P. ; Rychlik, M.* ; Marshall, J.W.* ; Schmitt-Kopplin, P.
Open search of peptide glycation products from tandem mass spectra.
Anal. Chem. 94, 5953-5961 (2022)
Klüpfel, J.* ; Paßreiter, S.* ; Weidlein, N.* ; Knopp, M.* ; Ungerer, M.* ; Protzer, U. ; Knolle, P.* ; Hayden, O.* ; Elsner, M.* ; Seidel, M.*
Fully automated chemiluminescence microarray analysis platform for rapid and multiplexed. SARS-CoV-2 serodiagnostics.
Anal. Chem. 94, 2855-2864 (2022)
Kösling, P.* ; Rüger, C.P.* ; Schade, J.* ; Ehlert, S.* ; Etzien, U.* ; Kozhinov, A.N.* ; Tsybin, Y.O.* ; Rigler, M.* ; Adam, T.* ; Walte, A.* ; Buchholz, B.* ; Zimmermann, R.
Real-time investigation of primary ship engine emissions by vacuum resonance-enhanced multiphoton ionization high-resolution orbitrap mass spectrometry.
Anal. Chem. 94, 16855–16863 (2022)
Lisitsyna, A. ; Moritz, F. ; Liu, Y.* ; Al Sadat, L.* ; Hauner, H.* ; Claussnitzer, M.* ; Schmitt-Kopplin, P. ; Forcisi, S.
Feature selection pipelines with classification for non-targeted metabolomics combining the neural network and genetic algorithm.
Anal. Chem. 94, 5474-5482 (2022)
Ghorasaini, M.* ; Mohammed, Y.* ; Adamski, J. ; Bettcher, L.* ; Bowden, J.A.* ; Cabruja, M.* ; Contrepois, K.* ; Ellenberger, M.* ; Gajera, B.* ; Haid, M. ; Hornburg, D.* ; Hunter, C.* ; Jones, C.M.* ; Klein, T.* ; Mayboroda, O.* ; Mirzaian, M.* ; Moaddel, R.* ; Ferrucci, L.* ; Lovett, J.* ; Nazir, K.* ; Pearson, M.* ; Ubhi, B.K.* ; Raftery, D.* ; Riols, F. ; Sayers, R.* ; Sijbrands, E.J.G.* ; Snyder, M.P.* ; Su, B.* ; Velagapudi, V.* ; Williams, K.J.* ; de Rijke, Y.B.* ; Giera, M.*
Cross-laboratory standardization of preclinical lipidomics using differential mobility spectrometry and multiple reaction monitoring.
Anal. Chem. 93, 16369-16378 (2021)
Kösling, P.* ; Rüger, C.P.* ; Schade, J.* ; Fort, K.L.* ; Ehlert, S.* ; Irsig, R.* ; Kozhinov, A.N.* ; Nagornov, K.O.* ; Makarov, A.* ; Rigler, M.* ; Tsybin, Y.O.* ; Walte, A.* ; Zimmermann, R.
Vacuum laser photoionization inside the C-trap of an orbitrap mass spectrometer: Resonance-enhanced multiphoton ionization high-resolution mass spectrometry.
Anal. Chem. 93, 9418–9427 (2021)
Rüger, C.P.* ; Neumann, A.* ; Sklorz, M. ; Zimmermann, R.
Atmospheric pressure single photon laser ionization (APSPLI) mass spectrometry using a 157 nm fluorine excimer laser for sensitive and selective detection of non- to semipolar hydrocarbons.
Anal. Chem. 93, 3691-3697 (2021)
Yuan, T. ; Pleitez, M.A. ; Gasparin, F. ; Ntziachristos, V.
Wide-field mid-infrared hyperspectral imaging by snapshot phase contrast measurement of optothermal excitation.
Anal. Chem. 93, 15323-15330 (2021)
Zheng, S.* ; Zhang, X.* ; Li, Z.* ; Hoene, M.* ; Fritsche, L. ; Zheng, F.* ; Li, Q.* ; Fritsche, A. ; Peter, A. ; Lehmann, R. ; Zhao, X.* ; Xu, G.*
Systematic, modifying group-assisted strategy expanding coverage of metabolite annotation in liquid chromatography-mass spectrometry-based nontargeted metabolomics studies.
Anal. Chem. 93, 10916-10924 (2021)
Fuenzalida Werner, J.P. ; Huang, Y. ; Mishra, K. ; Janowski, R. ; Vetschera, P. ; Heichler, C.* ; Chmyrov, A. ; Neufert, C.* ; Niessing, D. ; Ntziachristos, V. ; Stiel, A.-C.
Challenging a preconception: Optoacoustic spectrum differs from the absorption spectrum of proteins and dyes for molecular imaging.
Anal. Chem. 92, 10717-10724 (2020)
Gehm, C.* ; Streibel, T. ; Ehlert, S.* ; Schulz-Bull, D.* ; Zimmermann, R.
Development and optimization of an external-membrane introduction photoionization mass spectrometer for the fast analysis of (polycyclic)aromatic compounds in environmental and process waters.
Anal. Chem. 91, 15547-15554 (2019)
Haslauer, K.E. ; Hemmler, D. ; Schmitt-Kopplin, P. ; Heinzmann, S.S.
Guidelines for the use of deuterium oxide (D2O) in 1H NMR metabolomics.
Anal. Chem. 91, 11063-11069 (2019)
Lihl, C. ; Renpenning, J.* ; Kümmel, S.* ; Gelman, F.* ; Schürner, H.K.V. ; Daubmeier, M. ; Heckel, B.* ; Melsbach, A. ; Bernstein, A.* ; Shouakar-Stash, O.* ; Gehre, M.* ; Elsner, M.
Towards improved accuracy in chlorine isotope analysis: Synthesis routes for in-house standards and characterization via complementary mass spectrometry methods.
Anal. Chem. 91, 12290-12297 (2019)
Melsbach, A. ; Ponsin, V.* ; Torrentó, C.* ; Lihl, C. ; Hofstetter, T.B.* ; Hunkeler, D.* ; Elsner, M.
13C- and 15N-isotope analysis of desphenylchloridazon by Liquid chromatography-isotope-ratio mass spectrometry and derivatization gas chromatography-isotope-ratio mass spectrometry.
Anal. Chem. 91, 3412-3420 (2019)
Mishra, K. ; Fuenzalida Werner, J.P. ; Ntziachristos, V. ; Stiel, A.-C.
Photocontrollable proteins for optoacoustic imaging.
Anal. Chem. 91, 5470-5477 (2019)
Ponsin, V.* ; Torrentó, C.* ; Lihl, C. ; Elsner, M. ; Hunkeler, D.*
Compound-specific chlorine isotope analysis of the herbicides atrazine, acetochlor, and metolachlor.
Anal. Chem. 91, 14290-14298 (2019)
Schade, J.* ; Passig, J. ; Irsig, R.* ; Ehlert, S.* ; Sklorz, M. ; Adam, T. ; Li, C.* ; Rudich, Y.* ; Zimmermann, R.
Spatially shaped laser pulses for the simultaneous detection of polycyclic aromatic hydrocarbons as well as positive and negative inorganic ions in single particle mass spectrometry.
Anal. Chem. 91, 10282-10288 (2019)
Smirnov, K. ; Forcisi, S. ; Moritz, F. ; Lucio, M. ; Schmitt-Kopplin, P.
Mass difference maps and their application for the recalibration of mass spectrometric data in non-targeted metabolomics.
Anal. Chem. 91, 3350-3358 (2019)
Thompson, K.* ; Adams, K.J.* ; Adamski, J. ; Asad, Y.* ; Borts, D.* ; Bowden, J.A.* ; Byram, G.* ; Gang, V.* ; Dunn, W.B.* ; Fernández, F.* ; Fiehn, O.* ; Gaul, D.A.* ; Hühmer, A.F.* ; Kalli, A.* ; Koal, T.* ; Koeniger, S.* ; Mandal, R.* ; Meier, F.* ; Naser, F.J.* ; O'Neil, D.* ; Pal, A.* ; Patti, G.J.* ; Pham-Tuan, H.* ; Prehn, C. ; Raynaud, F.I.* ; Shen, T.* ; Southam, A.D.* ; St John-Williams, L.* ; Sulek, K.* ; Vasilopoulou, C.G.* ; Viant, M.* ; Winder, C.L.* ; Wishart, D.S.* ; Zhang, L.* ; Zheng, J.* ; Moseley, M.A.*
International ring trial of a high Resolution targeted metabolomics and lipidomics platform for serum and plasma analysis.
Anal. Chem. 91, 14407–14416 (2019)
Vetschera, P. ; Mishra, K. ; Fuenzalida Werner, J.P. ; Chmyrov, A. ; Ntziachristos, V. ; Stiel, A.-C.
Characterization of reversibly switchable fluorescent proteins in optoacoustic imaging.
Anal. Chem. 90, 10527-10535 (2018)
Wünsch, U.* ; Acar, E.* ; Koch, B.P.* ; Murphy, K.* ; Schmitt-Kopplin, P. ; Stedmon, C.A.*
The molecular fingerprint of fluorescent natural organic matter offers insight into biogeochemical sources and diagenetic state.
Anal. Chem. 90, 14188-14197 (2018)
Heckel, B. ; Rodríguez-Fernández, D.* ; Torrentó, C.* ; Meyer, A.H. ; Palau, J.* ; Domènech, C.* ; Rosell, M.* ; Soler, A.* ; Hunkeler, D.* ; Elsner, M.
Compound-specific chlorine isotope analysis of tetrachloromethane and trichloromethane by gas chromatography-isotope ratio mass spectrometry vs gas chromatography-quadrupole mass spectrometry: Method development and evaluation of precision and trueness.
Anal. Chem. 89, 3411-3420 (2017)
Kruth, C.* ; Czech, H.* ; Sklorz, M. ; Passig, J. ; Ehlert, S.* ; Cappiello, A.* ; Zimmermann, R.
Direct infusion resonance-enhanced multiphoton ionization mass spectrometry of liquid samples under vacuum conditions.
Anal. Chem. 89, 10917-10923 (2017)
Passig, J. ; Schade, J.* ; Oster, M. ; Fuchs, M. ; Ehlert, S.* ; Jäger, C.* ; Sklorz, M. ; Zimmermann, R.
Aerosol mass spectrometer for simultaneous detection of polyaromatic hydrocarbons and inorganic components from individual particles.
Anal. Chem. 89, 6341-6345 (2017)
Schuhmann, K.* ; Srzentić, K.* ; Nagornov, K.O.* ; Thomas, H.* ; Gutmann, T. ; Coskun, Ü. ; Tsybin, Y.O.* ; Shevchenko, A.*
Monitoring membrane lipidome turnover by metabolic15N labeling and shotgun ultra-high-resolution orbitrap fourier transform mass spectrometry.
Anal. Chem. 89, 12857-12865 (2017)
Siskos, A.P.* ; Jain, P.* ; Römisch-Margl, W. ; Bennett, M.J.* ; Achaintre, D.* ; Asad, Y.* ; Marney, L.* ; Richardson, L.* ; Koulman, A.* ; Griffin, J.L.* ; Raynaud, F.* ; Scalbert, A.* ; Adamski, J. ; Prehn, C. ; Keun, H.C.*
Interlaboratory reproducibility of a targeted metabolomics platform for analysis of human serum and plasma.
Anal. Chem. 89, 656-665 (2017)
Buck, A. ; Balluff, B.* ; Voss, A. ; Langer, R.* ; Zitzelsberger, H. ; Aichler, M. ; Walch, A.K.
How suitable is MALDI-TOF for metabolite imaging from clinical formalin-fixed and paraffin-embedded tissue samples in comparison to MALDI-FT-ICR mass spectrometry?
Anal. Chem. 88, 5281-5289 (2016)
Cassese, A.* ; Ellis, S.* ; Ogrinc Potočnik, N.* ; Burgermeister, E.* ; Ebert, M.* ; Walch, A.K. ; van den Maagdenberg, A.M.* ; McDonnell, L.A.* ; Heeren, R.M.* ; Balluff, B.*
Spatial autocorrelation in mass spectrometry imaging.
Anal. Chem. 88, 5871-5878 (2016)
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.
Anal. Chem. 88, 3031-3039 (2016)
Li, Y. ; Harir, M. ; Lucio, M. ; Kanawati, B. ; Smirnov, K. ; Flerus, R.* ; Koch, B.P.* ; Schmitt-Kopplin, P. ; Hertkorn, N.
Proposed guidelines for solid phase extraction of Suwannee River dissolved organic matter.
Anal. Chem. 88, 6680-6688 (2016)
Mishra, A. ; Pariani, G. ; Oerther, T.* ; Schwaiger, M.* ; Westmeyer, G.G.
Hyperpolarized multi-metal13C-sensors for magnetic resonance imaging.
Anal. Chem. 88, 10785-10789 (2016)
Mishra, A. ; Jiang, Y. ; Roberts, S. ; Ntziachristos, V. ; Westmeyer, G.G.
Near-infrared photoacoustic imaging probe responsive to calcium.
Anal. Chem. 88, 10790-10794 (2016)
Schimmelmann, A.* ; Qi, H.* ; Coplen, T.B.* ; Brand, W.A.* ; Fong, J.* ; Meier-Augenstein, W.* ; Kemp, H.F.* ; Toman, B.* ; Ackermann, A.* ; Assonov, S.* ; Aerts-Bijma, A.* ; Brejcha, R. ; Chikaraishi, Y.* ; Darwish, T.A.* ; Elsner, M. ; Gehre, M.* ; Geilmann, H.* ; Groening, M.* ; Hélie, J.F.* ; Herrero-Martín, S.* ; Meijer, H.A.* ; Sauer, P.E.* ; Sessions, A.L.* ; Werner, R.A.*
Organic reference materials for hydrogen, carbon, and nitrogen stable isotope-ratio measurements: Caffeines, n-alkanes, fatty acid methyl esters, glycines, L-valines, polyethylenes, and oils.
Anal. Chem. 88, 4294-4302 (2016)
Wohlfahrt, S. ; Fischer, M. ; Varga, J.* ; Saraji-Bozorgzad, M.R.* ; Matuschek, G. ; Denner, T.* ; Zimmermann, R.
A dual-stage consumable-free thermal modulator for the hyphenation of Thermal Analysis, Gas Chromatography and Mass Spectrometry (TA-GC-MS).
Anal. Chem. 88, 640-644 (2016)
Aicheler, F.* ; Li, J.* ; Hoene, M.* ; Lehmann, R. ; Xu, G.* ; Kohlbacher, O.
Retention time prediction improves identification in nontargeted lipidomics approaches.
Anal. Chem. 87, 7698-7704 (2015)
Coelho, C.* ; Aron, A.* ; Roullier-Gall, C. ; Gonsior, M.* ; Schmitt-Kopplin, P. ; Gougeon, R.D.*
Fluorescence fingerprinting of bottled white wines can reveal memories related to sulfur dioxide treatments of the must.
Anal. Chem. 87, 8132-8137 (2015)
Fischer, M. ; Wohlfahrt, S. ; Varga, J. ; Matuschek, G. ; Saraji-Bozorgzad, M.R.* ; Denner, T.* ; Walte, A.* ; Zimmermann, R.
Optically heated ultra-fast-cycling gas chromatography module for rapid separation of direct sampling and online monitoring applications.
Anal. Chem. 87, 8634-8639 (2015)
Forcisi, S. ; Moritz, F. ; Lucio, M. ; Lehmann, R. ; Stefan, N. ; Schmitt-Kopplin, P.
Solutions for low and high accuracy mass spectrometric data matching. A data-driven annotation strategy in non-targeted metabolomics.
Anal. Chem. 87, 8917-8924 (2015)
Herzsprung, P.* ; von Tümpling, W.* ; Hertkorn, N. ; Harir, M. ; Friese, K.* ; Schmitt-Kopplin, P.
High-field FTICR-MS data evaluation of natural organic matter: Are CHON5S2 molecular class formulas assigned to 13C isotopic m/z and in reality CHO components?
Anal. Chem. 87, 9563-9566 (2015)
Ketterer, S.* ; Hövermann, D.* ; Guebeli, R.J.* ; Bartels-Burgahn, F.* ; Riewe, D.* ; Altmann, T.* ; Zurbriggen, M.D.* ; Junker, B.* ; Weber, W.* ; Meier, M.
Correction to transcription factor sensor system for parallel quantification of metabolites on-chip.
Anal. Chem. 87, 8034 (2015)
Kleeblatt, J. ; Schubert, J.K.* ; Zimmermann, R.
Detection of gaseous compounds by needle trap sampling and direct thermal-desorption photoionization mass spectrometry: Concept and demonstrative application to breath gas analysis.
Anal. Chem. 87, 1773–1781 (2015)
Kubryk, P.* ; Kölschbach, J.S. ; Marozava, S. ; Lueders, T. ; Meckenstock, R.U. ; Niessner, R.* ; Ivleva, N.P.*
Exploring the potential of stable isotope (resonance) raman microspectroscopy and SERS for the analysis of microorganisms at single cell level.
Anal. Chem. 87, 6622-6630 (2015)
Rüger, C.P.* ; Miersch, T.* ; Schwemer, T.* ; Sklorz, M. ; Zimmermann, R.
Hyphenation of thermal analysis to ultra-high resolution Mass Spectrometry (FT-ICR MS) using Atmospheric Pressure Chemical Ionization (APCI) for studying composition and thermal degradation of complex materials.
Anal. Chem. 87, 6493–6499 (2015)
Schwemer, T.* ; Rüger, C.P. ; Sklorz, M. ; Zimmermann, R.
Gas chromatography coupled to atmospheric pressure chemical ionization FT-ICR mass spectrometry for improvement of data reliability.
Anal. Chem. 87, 11957-11961 (2015)
Zimmermann, R. ; Hertz-Schünemann, R.* ; Ehlert, S.* ; Liu, C.* ; McAdam, K.* ; Baker, R.* ; Streibel, T.
Highly time-resolved imaging of combustion and pyrolysis product concentrations in solid fuel combustion: NO formation in a burning cigarette.
Anal. Chem. 87, 1711-1717 (2015)
Dai, W.* ; Yin, P.* ; Zeng, Z.* ; Kong, H.* ; Tong, H.* ; Xu, Z.L.* ; Lu, X.* ; Lehmann, R. ; Xu, G.W.*
Nontargeted modification-specific metabolomics study based on liquid chromatography high-resolution mass spectrometry.
Anal. Chem. 86, 9146-9153 (2014)
Gerl, M.J.* ; Sachsenheimer, T.* ; Grzybek, M.* ; Coskun, Ü.* ; Wieland, F.T.* ; Brügger, B.*
Analysis of transmembrane domains and lipid modified peptides with matrix-assisted laser desorption ionization-time-of-flight mass spectrometry.
Anal. Chem. 86, 3722-3726 (2014)
Huber, K. ; Feuchtinger, A. ; Borgmann, D.M. ; Li, Z.* ; Aichler, M. ; Hauck, S.M. ; Zitzelsberger, H. ; Schwaiger, M.* ; Keller, U.* ; Walch, A.K.
A novel approach of MALDI drug imaging, immunohistochemistry, and digital image analysis for drug distribution studies in tissues.
Anal. Chem. 86, 10568-10575 (2014)
Ketterer, S.* ; Hövermann, D.* ; Guebeli, R.J.* ; Bartels-Burgahn, F.* ; Riewe, D.* ; Altmann, T.* ; Zurbriggen, M.D.* ; Junker, B.* ; Weber, W.* ; Meier, M.
Transcription factor sensor system for parallel quantification of metabolites on-chip.
Anal. Chem. 86, 12152-12158 (2014)
Sánchez, J.* ; Zimmermann, R. ; Yeretzian, C.*
Insight into the time-resolved extraction of aroma compounds during espresso coffee preparation: Online monitoring by PTR-ToF-MS.
Anal. Chem. 86, 11696-11704 (2014)
Wittmaack, K.
Novel model of negative secondary ion formation and its use to refine the electronegativity of almost fifty elements.
Anal. Chem. 86, 5962-5968 (2014)
Ehlert, S.* ; Walte, A.* ; Zimmermann, R.
Ambient pressure laser desorption and laser-induced acoustic desorption ion mobility spectrometry detection of explosives.
Anal. Chem. 85, 11047-11053 (2013)
Li, J.* ; Hoene, M. ; Zhao, X.J.* ; Chen, S.L.* ; Wei, H.* ; Häring, H.-U. ; Lin, X.H.* ; Zeng, Z.D.* ; Weigert, C. ; Lehmann, R. ; Xu, G.W.*
Stable isotope-assisted lipidomics combined with nontargeted isotopomer filtering, a tool to unravel the complex dynamics of lipid metabolism.
Anal. Chem. 85, 4651-4657 (2013)
Trefz, P.* ; Schmidt, M.* ; Oertel, P.* ; Obermeier, J.* ; Brock, B.* ; Kamysek, S.* ; Dunkl, J.* ; Zimmermann, R. ; Schubert, J.K.* ; Miekisch, W.*
Continuous real time breath gas monitoring in the clinical environment by proton-transfer-reaction-time-of-flight-mass spectrometry.
Anal. Chem. 85, 10321-10329 (2013)
Hahne, H.* ; Neubert, P.* ; Kuhn, K.* ; Etienne, C.* ; Bomgarden, R.* ; Rogers, J.C.* ; Kuster, B.*
Carbonyl-reactive tandem mass tags for the proteome-wide quantification of N-linked glycans.
Anal. Chem. 84, 3716-3724 (2012)
Meier, M. ; Sit, R.V.* ; Pan, W.* ; Quake, S.R.*
High-performance binary protein interaction screening in a microfluidic format.
Anal. Chem. 84, 9572-9578 (2012)
Schäfer, A. ; von Toerne, C. ; Becker, S. ; Sarioglu, H. ; Neschen, S. ; Kahle-Stephan, M. ; Hauck, S.M. ; Ueffing, M.
Two-dimensional peptide separation improving sensitivity of selected reaction monitoring-based quantitative proteomics in mouse liver tissue: Comparing off-gel electrophoresis and strong cation exchange chromatography.
Anal. Chem. 84, 8853-8862 (2012)
Shinonaga, T. ; Donohue, D.* ; Aigner, H.* ; Bürger, S.* ; Klose, D.* ; Kärkelä, T.* ; Zilliacus, R.* ; Auvinen, A.* ; Marie, O.* ; Pointurier, F.*
Production and characterization of plutonium dioxide particles as a quality control material for safeguards purposes.
Anal. Chem. 84, 2638-2646 (2012)
Trede, D.* ; Schiffler, S.* ; Becker, M.* ; Wirtz, S.* ; Steinhorst, K.* ; Strehlow, J.* ; Aichler, M. ; Kobarg, J.H.* ; Oetjen, J.* ; Dyatlov, A.* ; Heldmann, S.* ; Walch, A.K. ; Thiele, H.* ; Maass, P.* ; Alexandrov, T.*
Exploring three-dimensional matrix-assisted laser desorption/ionization imaging mass spectrometry data: Three-dimensional spatial segmentation of mouse kidney.
Anal. Chem. 84, 6079-6087 (2012)
Yassine, M.M.* ; Dabek-Zlotorzynska, E.* ; Harir, M. ; Schmitt-Kopplin, P.
Identification of weak and strong organic acids in atmospheric aerosols by capillary electrophoresis/mass spectrometry and ultra-high-resolution fourier transform ion cyclotron resonance mass spectrometry.
Anal. Chem. 84, 6586-6594 (2012)
Adam, T.W.* ; Chirico, R.* ; Clairotte, M.* ; Elsasser, M. ; Manfredi, U.* ; Martini, G.* ; Sklorz, M.* ; Streibel, T.* ; Heringa, M.F.* ; DeCarlo, P.F.* ; Baltensperger, U.* ; de Santi, G.* ; Krasenbrink, A.* ; Zimmermann, R. ; Prévôt, A.S.* ; Astorga, C.*
Application of modern online instrumentation for chemical analysis of gas and particulate phases of exhaust at the European Commission heavy-duty vehicle emission laboratory.
Anal. Chem. 83, 67-76 (2011)
Ali, Z.* ; Abbasi, A.Z.* ; Zhang, F.* ; Arosio, P.* ; Lascialfari, A.* ; Casula, M.F.* ; Wenk, A. ; Kreyling, W.G. ; Plapper, R.* ; Seidel, M.* ; Niessner, R.* ; Knöll, J.* ; Seubert, A.* ; Parak, W.J.
Multifunctional nanoparticles for dual imaging.
Anal. Chem. 83, 2877-2882 (2011)
Bernstein, A. ; Shouakar-Stash, O.* ; Ebert, K.* ; Laskov, C.* ; Hunkeler, D.* ; Jeannottat, S.* ; Sakaguchi-Söder, K.* ; Laaks, J.* ; Jochmann, M.A.* ; Cretnik, S. ; Jager, J.* ; Haderlein, S.B.* ; Schmidt, T.C.* ; Aravena, R.* ; Elsner, M.
Compound-specific chlorine isotope analysis: A comparison of gas chromatography/isotope ratio mass spectrometry and gas chromatography/quadrupole mass spectrometry methods in an interlaboratory study.
Anal. Chem. 83, 7624-7634 (2011)
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.
Anal. Chem. 83, 3865-3872 (2011)
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.
Anal. Chem. 83, 6619-6627 (2011)
Schuhmann, K.* ; Herzog, R.* ; Schwudke, D.* ; Metelmann-Strupat, W.* ; Bornstein, S.R.* ; Shevchenko, A.*
Bottom-up shotgun lipidomics by higher energy collisional dissociation on LTQ Orbitrap mass spectrometers.
Anal. Chem. 83, 5480-5487 (2011)
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.
Anal. Chem. 82, 2541-2551 (2010)
Morales-Cid, G.* ; Fekete, A. ; Simonet, B.M.* ; Lehmann, R.* ; Cardenas, S.* ; Zhang, X.M.* ; Valcarcel, M.* ; Schmitt-Kopplin, P.
In situ synthesis of magnetic multiwalled carbon nanotube composites for the clean-up of (fluoro)quinolones from human plasma prior to ultrahigh pressure liquid chromatography analysis.
Anal. Chem. 82, 2743-2752 (2010)
Reinnicke, S. ; Bernstein, A. ; Elsner, M.
Small and reproducible isotope effects during methylation with trimethylsulfonium hydroxide (TMSH): A convenient derivatization method for isotope analysis of negatively charged molecules.
Anal. Chem. 82, 2013-2019 (2010)
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.
Anal. Chem. 82, 9644-9653 (2010)
Schmitt-Kopplin, P. ; Gelencser, A.* ; Dabek-Zlotorzynska, E.* ; Kiss, G.* ; Hertkorn, N. ; Harir, M. ; Hong, Y.* ; Gebefügi, I.
Analysis of the unresolved organic fraction in atmospheric aerosols with ultrahigh-resolution mass spectrometry and nuclear magnetic resonance spectroscopy: Organosulfates as photochemical smog constituents.
Anal. Chem. 82, 8017-8026 (2010)
Bente, M. ; Sklorz, M.* ; Streibel, T. ; Zimmermann, R.
Thermal desorption-multiphoton ionization time-of-flight mass spectrometry of individual aerosol particles: A simplified approach for online single-particle analysis of polycyclic aromatic hydrocarbons and their derivatives.
Anal. Chem. 81, 2525-2536 (2009)
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.
Anal. Chem. 81, 6038-6048 (2009)
Hanley, L.* ; Zimmermann, R.
Light and molecular ions: The emergence of vacuum UV single-photon ionization in MS.
Anal. Chem. 81, 4174-4182 (2009)
Kunenkov, E.V.* ; Kononikhin, A.S.* ; Perminova, I.V.* ; Hertkorn, N. ; Gáspár, A. ; Schmitt-Kopplin, P. ; Popov, I.A.* ; Garmash, A.V.* ; Nikolaev, E.N.*
Total mass difference statistics algorithm: A new approach to identification of high-mass building blocks in electrospray ionization Fourier transform ion cyclotron mass spectrometry data of natural organic matter.
Anal. Chem. 81, 10106-10115 (2009)
Schramm, E. ; Kürten, A. ; Hölzer, J. ; Mitschke, S. ; Mühlberger, F. ; Sklorz, M. ; Wieser, J.* ; Ulrich, A.* ; Pütz, M.* ; Schulte-Ladbeck, R.* ; Schultze, R.* ; Curtius, J.* ; Borrmann, S.* ; Zimmermann, R.
Trace detection of organic compounds in complex sample matrixes by single photon ionization ion trap mass spectrometry: Real-time detection of security-relevant compounds and online analysis of the coffee-roasting process.
Anal. Chem. 81, 4456-4467 (2009)
Bente, M. ; Sklorz, M.* ; Streibel, T. ; Zimmermann, R.
Online laser desorption-multiphoton postionization mass spectrometry of individual aerosol particles: Molecular source indicators for particles emitted from different traffic-related and wood combustion sources.
Anal. Chem. 80, 8991-9004 (2008)
Chen, J.* ; Zhao, X.* ; Fritsche, J.* ; Yin, P.* ; Schmitt-Kopplin, P. ; Wang, W.* ; Lu, X.* ; Häring, H.-U.* ; Schleicher, E.D.* ; Lehmann, R.* ; Xu, G.*
Practical approach for the identification and isomer elucidation of biomarkers detected in a metabonomic study for the discovery of individuals at risk for diabetes by integrating the chromatographic and mass spectrometric information.
Anal. Chem. 80, 1280-1289 (2008)
Elsner, M. ; Hunkeler, D.*
Evaluating chlorine isotope effects from isotope ratios and mass spectra of polychlorinated molecules.
Anal. Chem. 80, 4731-4740 (2008)
Hertkorn, N. ; Frommberger, M. ; Witt, M.* ; Koch, B.P.* ; Schmitt-Kopplin, P. ; Perdue, E. M.*
Natural Organic Matter and the Event Horizon of Mass Spectrometry.
Anal. Chem. 80, 8908-8919 (2008)
Saraji-Bozorgzad, M.R. ; Geißler, R. ; Streibel, T. ; Mühlberger, F. ; Sklorz, M. ; Kaisersberger, E.* ; Denner, T.* ; Zimmermann, R.
Thermogravimetry coupled to single photon ionization quadrupole mass spectrometry: A tool to investigate the chemical signature of thermal decomposition of polymeric materials.
Anal. Chem. 80, 3393-3403 (2008)
Wang, Y.* ; Wang, J.* ; Yao, M.* ; Zhao, X.* ; Fritsche, J.* ; Schmitt-Kopplin, P. ; Cai, Z.* ; Wan, D.* ; Lu, X.* ; Yang, S.* ; Gu, J.* ; Häring, H.-U.* ; Schleicher, E.D.* ; Lehmann, R.* ; Xu, G.*
Metabonomics study on the effects of the ginsenoside Rg3 in a beta-cyclodextrin-based formulation on tumor-bearing rats by a fully automatic hydrophilic interaction/reversed-phase column-switching HPLC-ESI-MS approach.
Anal. Chem. 80, 4680-4688 (2008)
Zischka, H. ; Larochette, N.* ; Hoffmann, F.* ; Hamöller, D. ; Jägemann, N. ; Lichtmannegger, J. ; Jennen, L. ; Müller-Höcker, J.* ; Roggel, F.* ; Göttlicher, M. ; Vollmar, A.M.* ; Kroemer, G.*
Electrophoretic analysis of the mitochondrial outer membrane rupture induced by permeability transition.
Anal. Chem. 80, 5051-5058 (2008)
Mühlberger, F. ; Saraji-Bozorgzad, M.R. ; Gonin, M.* ; Fuhrer, K.* ; Zimmermann, R.
Compact ultrafast orthogonal acceleration time-of-flight mass spectrometer for on-line gas analysis by electron impact ionization and soft single photon ionization using an electron beam pumped rare gas excimer lamp as VUV-light source.
Anal. Chem. 79, 8118-8124 (2007)
Penning, H. ; Elsner, M.
Intramolecular carbon and nitrogen isotope analysis by quantitative dry fragmentation of the phenylurea herbicide isoproturon in a combined injector/capillary reactor prior to GC separation.
Anal. Chem. 79, 8399-8405 (2007)
Perdue, E.M.* ; Hertkorn, N. ; Kettrup, A.
Substitution patterns in aromatic rings by increment analysis: Model development and application to natural organic matter.
Anal. Chem. 79, 1010-1021 (2007)
Elsner, M. ; Lacrampe Couloume, G.* ; Sherwood Lollar, B.*
Freezing to preserve groundwater samples and improve headspace quantification limits of water-soluble organic contaminants for carbon isotope analysis.
Anal. Chem. 78, 7528-7534 (2006)
Mitschke, S.* ; Welthagen, W.* ; Zimmermann, R.
Comprehensive gas chromatography -time-of-flight mass spectrometry using soft and selective photoionization techniques.
Anal. Chem. 78, 6364-6375 (2006)
Streibel, T. ; Weh, J. ; Mitschke, S.* ; Zimmermann, R.
Thermal desorption/pyrolysis coupled with photoionization time-of-flight mass spectrometry for the analysis of molecular organic compounds and oligomeric polymeric fractions in Urban particulate matter.
Anal. Chem. 78, 5354-5361 (2006)
Ferge, T. ; Mühlberger, F. ; Zimmermann, R.
Application of infrared laser desorption vacuum-UV single photon ionization mass spectrometry for analysis of organic compounds from particulate matter filter samplas.
Anal. Chem. 77, 4528-4538 (2005)
Fernandes-Whaley, M.* ; Mühlberger, F. ; Whaley, A.* ; Adam, T. ; Zimmermann, R. ; Rohwer, E.* ; Walte, A.*
On-line derivatization for resonance-enhanced multiphoton ionization time-of-flight mass spectrometry:Detection of aliphatic aldehydes and amines via reactive coupling of aromatic photo ionization labels.
Anal. Chem. 77, 1-10 (2005)
Mitschke, S.* ; Adam, T.* ; Streibel, T.* ; Baker, R.R.* ; Zimmermann, R.
Application of time-of-flight mass spectrometry with laser-based photoionization methods for time-resolved on-line analysis of mainstream cigarette smoke.
Anal. Chem. 77, 2288-2296 (2005)
Mühlberger, F. ; Wieser, J.* ; Morozov, A.* ; Ulrich, A.* ; Zimmermann, R.
Single-photon ionization quadrupole mass spectrometry with an electron beam pumped excimer light source.
Anal. Chem. 77, 2218-2226 (2005)
Mühlberger, F. ; Streibel, T. ; Wieser, J.* ; Ulrich, A.* ; Zimmermann, R.
Single photon ionization time-of-flight mass spectrometry with a pulsed electron beam pumped excimer VUV lamp for on-line gas analysis: Setup and first results on cigarette smoke and human breath.
Anal. Chem. 77, 7408-7414 (2005)
Dorfner, R. ; Ferge, Th. ; Yeretzian, C.* ; Kettrup, A. ; Zimmermann, R.
Laser Mass Spectrometry as On-line Sensor for Industrial Process Analysis: Process Control of Coffee Roasting.
Anal. Chem. 76, 1386-1402 (2004)
Hertkorn, N. ; Perdue, E.M.* ; Kettrup, A.
A potentiometric and 113Cd NMR study of cadmium complexation by natural organic matter at two different magnetic field strengths.
Anal. Chem. 76, 6327-6341 (2004)
Mühlberger, F. ; Hafner, K. ; Kaesdorf, S.* ; Ferge, T. ; Zimmermann, R.
Comprehensive on-line characterization of complex gas mixtures by quasi-simultaneous resonance-enhanced multiphoton ionization, vacuum-UV single-photon ionization and electron impact ionization in a time-of-flight mass spectrometer: Setup and instrument characterization.
Anal. Chem. 76, 6753-6764 (2004)
Cao, L.* ; Mühlberger, F. ; Adam, T. ; Streibel, T. ; Wang, H.Z.* ; Kettrup, A. ; Zimmermann, R.
Resonance-enhanced multiphoton ionization and VUV-single photon ionization as soft and selective laser ionization methods for on-line time-of-flight mass spectrometry : Investigation of the pyrolysis of typical organic contaminants in the steel recycling process.
Anal. Chem. 75, 5639-5645 (2003)
Fall, B.I.* ; Eberlein-König, B.* ; Behrendt, H. ; Niessner, R.* ; Ring, J.* ; Weller, M.G.*
Microarrays for the screening of allergen-specific IgE in human serum.
Anal. Chem. 75, 556-562 (2003)
Guo, R.* ; Liang, X.* ; Chen, J.* ; Zhang, Q.* ; Kettrup, A.
Prediction of Soil Adsorption Coefficients from Retention Parameters on Three Reversed-Phase Liquid Chromatographic Colums.
Anal. Chem. 74, 655-660 (2002)
Mühlberger, F. ; Wieser, J.* ; Ulrich, A.* ; Zimmermann, R.
Single Photon Ionization (SPI) via Incoherent VUV-Excimer Light : Robust and Compact Time-of-Flight Mass Spectrometer for On-Line, Real-Time Process Gas Analysis.
Anal. Chem. 74, 3790-3801 (2002)
Hafner, K.* ; Zimmermann, R. ; Rohwer, E.* ; Dorfner, R. ; Kettrup, A.
A capillary-based supersonic jet inlet system for resonance-enhanced laser ionization mass spectrometry : Principle and First on-line process analytical applications.
Anal. Chem. 73, 4171-4180 (2001)
Mühlberger, F. ; Zimmermann, R. ; Kettrup, A.
A Mobile Mass Spectrometer for Comprehensive On-Line Analysis of Trace and Bulk Components of Complex Gas Mixtures : Parallel Application of the Laser-Based Ionization, Resonant Multiphoton Ionization, and Laser-Induced Electron Impact Ionization.
Anal. Chem. 73, 3590-3604 (2001)
Heger, H.-J. ; Zimmermann, R. ; Dorfner, R. ; Beckmann, M.* ; Griebel, H.* ; Kettrup, A. ; Boesl, U.*
spectrometer.
Anal. Chem. 71, 46-57 (1999)
Zhang, X.* ; Schramm, K.-W. ; Henkelmann, B. ; Klimm, C. ; Kaune, A.* ; Kettrup, A. ; Peichang, L.*
A method to estimate the octanol-air partition coefficient of semivolatile organic compounds.
Anal. Chem. 71, 3834 (1999)
Zimmermann, R. ; Rohwer, E.R.* ; Heger, H.J.
In-line catalytic derivatization method for selctive detection of chlorinated aromatics with a hyphenated gas chromatography/ Laser mass spectrometry technique : A concept for comprehensive detection of isomeric ensembles.
Anal. Chem. 71, 4148-4153 (1999)
Schmitt, P.* ; Poiger, T.F.* ; Simon, R.K. ; Freitag, D. ; Kettrup, A. ; Garrison, A.W.*
Simultaneous determination of ionization constants and isoelectric points of 12 hydroxy-s-triazines by capillary zone electrophoresis and capillary isoelectric focusing.
Anal. Chem. 69, 2559-2566 (1997)
Kettrup, A. ; Kicinski, H.G.* ; Masuch, G.*
Investigating the effect of hydrogen peroxide on Norway spruce trees.
Anal. Chem. 63, 1047-1056 (1991)
Kron, T.* ; Wittmaack, K. ; Hansen, C.S. ; Werner, E.E.
Stable isotopes for determining biokinetic parameters of tellurium in rabbits.
Anal. Chem. 63, 2603-2607 (1991)
Kurth, H.H. ; Gäb, S. ; Turner, W.V. ; Kettrup, A.
A high-performance liquid chromatography system with an immobilized enzyme reactor for detection of hydrophilic organic peroxides.
Anal. Chem. 63, 2586-2589 (1991)
Bunzl, K.W. ; Schultz, W.W.
Kinetics of differentially small conversions in contact isotopic and contact ion exchange.
Anal. Chem. 54, 272-277 (1982)
Schramel, P. ; Li-Qiang, X.
Determination of beryllium in the parts-per-billion range in three standard reference materials by inductively coupled plasma atomic emission spectrometry.
Anal. Chem. 54, 1333-1336 (1982)
Kaul, A.K. ; Sharma, T.R.
Rapid determination of nitrogen content in grain-meal samples with alkali-phenol reaction, manually and with an autoanalyzer.
Anal. Chem. 280, 133-138 (1969)