Publikationen

(58) Krüger, M., Mishra, A., Spichtinger, P., Pöschl, U., and Berkemeier, T.: A numerical compass for experiment design in chemical kinetics and molecular property estimation, J. Cheminform. 16, 34, (2024).

(57) Knopf, D. A., Ammann, M., Berkemeier, T., Pöschl, U., and Shiraiwa, M.: Desorption lifetimes and activation energies influencing gas–surface interactions and multiphase chemical kinetics, Atmos. Chem. Phys. 24, 3445–3528, (2024).

(56) Lelieveld, S., Lelieveld, J., Mishra, A., Daiber, A., Pozzer, A., Pöschl, U., and Berkemeier, T.: Endogenous Nitric Oxide Can Enhance Oxidative Stress Caused by Air Pollutants and Explain Higher Susceptibility of Individuals with Inflammatory Disorders, Environ. Sci. Technol. 58(4), 1823-1831, (2024).

(55) Berkemeier, T., and Pöschl, U.: Formation, Interconversion, and Buffering of Reactive Oxygen Species from Gaseous and Particulate Air Pollutants in Epithelial Lining Fluid, in: Valacchi, G., and Daiber, A. (Eds.), Environmental Stressors and OxInflammatory Tissues Responses (1st ed.), CRC Press, (2023).

(54) Fröhlich-Nowoisky, J., Lucas, K., Berkemeier, T., and Pöschl, U.: Chemical Modification of Proteins by Reactive Oxygen and Nitrogen Species under Atmospheric and Physiological Conditions, in: Valacchi, G., and Daiber, A. (Eds.), Environmental Stressors and OxInflammatory Tissues Responses (1st ed.), CRC Press, (2023).

(53) Shahpoury, P., Lelieveld, S., Johannessen, C., Berkemeier, T., Celo, V., Dabek-Zlotorzynska, E., Harner, T., Lammel, G., and Nenes, A.: Influence of aerosol acidity and organic ligands on transition metal solubility and oxidative potential of fine particulate matter in urban environments, Sci. Total Environ. 906, 167405, (2023).

(52) Mishra, A., Lelieveld, S., Pöschl, U., and Berkemeier, T.: Multiphase Kinetic Modeling of Air Pollutant Effects on Protein Modification and Nitrotyrosine Formation in Epithelial Lining Fluid, Environ. Sci. Technol. 57(34), 12642-12653, (2023).

(51) Milsom, A., Qi, S., Mishra, A., Berkemeier, T., Zhang, Z., and Pfrang, C.: Technical note: in-situ measurements and modelling of the oxidation kinetics in films of a cooking aerosol proxy using a Quartz Crystal Microbalance with Dissipation monitoring (QCM-D), Atmos. Chem. Phys. 23, 10835–10843, 2023, (2023).

(50) Kang, H. G., Chen, Y., Jeong, J., Park, Y., Berkemeier, T., and Kim, H.: Volatile Oxidation Products and Secondary Organosiloxane Aerosol from D₅ + OH at Varying OH Exposures, Atmos. Chem. Phys. 23(22), 14307-14323, (2023).

(49) Dovrou, E., Lelieveld, S., Mishra, A., Pöschl, U., and Berkemeier, T.: Influence of ambient and endogenous H₂O₂ on reactive oxygen species concentrations and OH radical production in the respiratory tract, Environ. Sci.: Atmos. 3, 1066-1074, (2023).

(48) Berkemeier, T., Krüger, M., Feinberg, A., Müller, M., Pöschl, U., and Krieger, U. K.: Accelerating models for multiphase chemical kinetics through machine learning with polynomial chaos expansion and neural networks, Geosci. Model Dev. 16, 2037–2054, (2023).

(47) Pöhlker, M. L., Pöhlker, C., Krüger, O. O., Förster, J.-D., Berkemeier, T., Elbert, W., Fröhlich-Nowoisky, J., Pöschl, U., Bagheri, G., Bodenschatz, E., Huffman, J. A., Scheithauer, S., Mikhailov, E.: Respiratory aerosols and droplets in the transmission of infectious diseases, Rev. Mod. Phys. 95(4), 045001, (2023).

(46) Baumann, K., Wietzoreck, M., Shahpoury, P., Filippi, A., Hildmann, S., Lelieveld, S., Berkemeier, T., Tong, H., Pöschl, U., and Lammel, G.: Is the oxidative potential of components of fine particulate matter surface-mediated? Environ. Sci. Pollut. Res. 30, 16749–16755,  (2023).

(45) Lakey, P. S. J., Zuend, A., Morrison, G. C., Berkemeier, T., Wilson, J., Arata, C., Goldstein, A. H., Wilson, K. R., Wang, N., Williams, J., Abbatt, J. P. D., and Shiraiwa, M.: Quantifying the impact of relative humidity on human exposure to gas phase squalene ozonolysis products, Environ. Sci.: Atmos 3, 49-64, (2023).

(44) Takeuchi, M., Berkemeier, T., Eris, G., and Ng, N. L.: Non-linear effects of secondary organic aerosol formation and properties in multi-precursor systems, Nat. Commun. 13, 7883, (2022).

(43) Kuntic, M., Kuntic, I., Krishnankutty, R., Gericke, A., Oelze, M., Junglas, T., Bayo Jimenez, M. T., Stamm, P., Nandudu, M., Hahad, O., Keppeler, K., Daub, S., Vujacic-Mirski, K., Rajlic, S., Strohm, L., Ubbens, H., Tang, Q., Jiang, S., Ruan, Y., Macleod, K. G., Steven, S., Berkemeier, T., Pöschl, U., Lelieveld, J., Kleinert, H., von Kriegsheim, A., Daiber, and A., Münzel, T.: Co-exposure to urban particulate matter and aircraft noise adversely impacts the cerebro-pulmonary-cardiovascular axis in mice, Redox Biology, 102580, (2022).

(42) Shahpoury, P., Zhang, Z. W., Filippi, A., Hildmann, S., Lelieveld, S., Mashtakov, B., Patel, B. R., Traub, A., Umbrio, D., Wietzoreck, M., Wilson, J., Berkemeier, T., Celo, V., Dabek-Zlotorzynska, E., Evans, G., Harner, T., Kerman, K., Lammel, G., Noroozifar, M., Pöschl, U., and Tong, H.: Inter-comparison of oxidative potential metrics for airborne particles identifies differences between acellular chemical assays, Atmospheric Pollut. Res. 13(12), 101596, (2022).

(41) Müller, M., Mishra, A., Berkemeier, T., Hausammann, E., Peter, T., and Krieger, U. K.: Electrodynamic balance–mass spectrometry reveals impact of oxidant concentration on product composition in the ozonolysis of oleic acid, Phys. Chem. Chem. Phys. 24, 27086-27104, (2022).

(40) Krüger, M., Wilson, J., Wietzoreck, M., Bandowe, B. A. M., Lammel, G., Schmidt, B., Pöschl, U., and Berkemeier, T.: Convolutional neural network prediction of molecular properties for aerosol chemistry and health effects, Nat. Sci. 2(4), e20220016, (2022).

(39) Sheu, R., Hass-Mitchell, T., Ringsdorf, A., Berkemeier, T., Machesky, J., Edtbauer, A., Klüpfel, T., Filippi, A., Bandowe, B. A. M., Wietzoreck, M., Kukučka, P., Tong, H., Lammel, G., Pöschl, U., Williams, J., and Gentner, D. R.: Emerging investigator series: deposited particles and human lung lining fluid are dynamic, chemically-complex reservoirs leading to thirdhand smoke emissions and exposure, Environ. Sci.: Atmos. 2, 943-963, (2022).

(38) Filippi, A., Sheu, R., Berkemeier, T., Pöschl, U., Tong, H., Gentner, D.: Environmentally persistent free radicals in indoor particulate matter, dust, and on surfaces, Environ. Sci.: Atmos 2(2), 128-136, (2022).

(37) Berkemeier T., Mishra, A., Mattei, C., Huisman, A. J., Krieger U. K., Poschl, U.: Ozonolysis of Oleic Acid Aerosol Revisited: Multiphase Chemical Kinetics and Reaction Mechanisms, ACS Earth and Space Chem. 5(12), 3313-3323, (2021).

(36) Lelieveld, S., Wilson, J., Dovrou, E., Mishra, A., Lakey, P. S. J., Shiraiwa, M., Poschl, U., Berkemeier, T.: Hydroxyl Radical Production by Air Pollutants in Epithelial Lining Fluid Governed by Interconversion and Scavenging of Reactive Oxygen Species, Environ. Sci. Technol. 55(20), 14069-14079, (2021).

(35) Alarcón, P., Bohn, B., Berkemeier, T., Lammel, G., Pöschl, U., Zetzsch, C.: Gas-Phase Reaction Kinetics of the Ortho and Ipso Adducts 1, 2, 4, 5-Tetramethylbenzene–OH with O2, ACS Earth Space Chem. 5(9), 2243-2251, (2021).

(34) Tong, T., Liu, F., Filippi, A., Wilson, J., Arangio, A. M., Zhang, Y., Yue, S., Lelieveld, S., Shen, F., Keskinen,H. K., Li, J., Chen, H., Zhang, T., Hoffmann, T., Fu, P., Brune, W. H., Petäjä,T., Kulmala, M., Yao, M., Berkemeier, T., Shiraiwa, M., Pöschl, U.: Aqueous-phase reactive species formed by fine particulate matter from remote forests and polluted urban air, Atmos. Chem. Phys. 21(13), 10439-10455, (2021).

(33) Backes, A. T., Reinmuth-Selzle, K., Leifke, A. L., Ziegler, K., Krevert, C. S., Tscheuschner, G., Lucas, K., Weller, M. G., Berkemeier, T., Pöschl, U., Fröhlich-Nowoisky, J.: Oligomerization and Nitration of the Grass Pollen Allergen Phl p 5by Ozone, Nitrogen Dioxide, and Peroxynitrite: Reaction Products, Kinetics, and Health Effects, Int. J. Mol. Sci. 22(14), 7616, (2021).

(32) Wilson, J., Pöschl, U., Shiraiwa, M., Berkemeier, T.: Non-equilibrium interplay between gas-particle partitioning and multiphase chemical reactions of semi-volatile compounds: mechanistic insights and practical implications for atmospheric modeling of PAHs, Atmos. Chem. Phys. 21, 6175-6198, (2021).

(31) Wilson, J., Octaviani, M., Bandowe, B. A. M., Wietzoreck, M., Zetzsch, C., Pöschl, U., Berkemeier, T., Lammel, G.: Modeling the Formation, Degradation, and Spatiotemporal Distribution of 2-Nitrofluoranthene and 2-Nitropyrene in the Global Atmosphere, Environ. Sci. Technol. 54(22), 14224-14234, (2020).

(30) Berkemeier, T., Takeuchi, M., Eris, G., Ng, N. L.: Kinetic modelling of formation and evaporation of SOA from NO3 oxidation of pure and mixed monoterpenes, Atmos. Chem. Phys. 20, 15513-15535, (2020).

(29) Tong, H., Zhang, Y., Filippi, A., Wang, T., Li, C., Liu, F., Leppla, D., Kourtchev, I., Wang, K., Keskinen, H.-M., Levula, J., Arangio, A. M., Shen, F., Ditas, F., Martin, S. T., Artaxo, P., Godoi, R. H. M., Yamamoto, C. I., De Souza, R. A. F., Huang, R.-J., Berkemeier, T., Wang, Y., Su, H., Cheng, Y., Pope, F. D., Fu., P., Yao., M., Pöhlker, C., Petäjä, T., Kulmala, M., Andreae, M. O., Shiraiwa, M., Pöschl, U., Hoffmann, T., Kalberer, M.: Radical Formation by Fine Particulate Matter Associated with Highly Oxygenated Moleculues, Environ. Sci. Technol. 53(21), 12506-12518, (2019).

(28) Alpert, P. A., Arroyo, P. C., Dou, J., Krieger, U. K., Steimer, S. S., Förster, J.-D., Ditas, F., Pöhlker, C., Rossignol, S., Passananti, M., Perrier, S., George, C., Shiraiwa, M., Berkemeier, T., Watts, B., Ammann, M.: Visualizing reaction and diffusion in xanthan gum aerosol particles exposed to ozone, Phys. Chem. Chem. Phys. 21, 20613-20627, (2019).

(27) Marshall, F. H., Berkemeier, T., Shiraiwa, M., Nandy, L., Ohm, P. B., Dutcher, C. S., Reid, J. P.: Influence of particle viscosity on mass transfer and heterogeneous ozonolysis kinetics in aqueous–sucrose–maleic acid aerosol, Phys. Chem. Chem. Phys. 20, 15560-15573, (2018).

(26) Boyd, C. M., Nah, T., Xu, L., Berkemeier, T., Ng, N. L.: Secondary Organic Aerosol (SOA) from Nitrate Radical Oxidation of Monoterpenes: Effects of Temperature, Dilution, and Humidity on Aerosol Formation, Mixing, and Evaporation, Environ Sci. Technol., 51(14), 7831-7841, (2017).

(25) Socorro, J., Lakey, P. S. J., Han, L., Berkemeier, T., Lammel, G., Zetzsch, C., Pöschl, U., Shiraiwa, M.: Heterogeneous OH oxidation, shielding effects and implications for the atmospheric fate of terbuthylazine and other pesticides, Environ. Sci. Technol. 51(23), 13749-13754, (2017).

(24) Chim, M. M., Cheng, C. T., Davies, J. F., Berkemeier, T., Shiraiwa, M., Zuend, A., Chan, M. N.: Compositional evolution of particle-phase reaction products and water in the heterogeneous OH oxidation of model aqueous organic aerosols,  Atmos. Chem. Phys. 17, 14415-14431, (2017).

(23) Shiraiwa, M., Li, Y., Tsimpidi, A. P., Karydis, V. A., Berkemeier, T., Pandis, S. N., Lelieveld, J., Koop, T., Pöschl, U.: Global distribution of particle phase state in atmospheric secondary organic aerosols, Nat Commun. 8, 15002, (2017).

(22) Berkemeier, T., Ammann, M., Krieger, U. K., Peter, T., Spichtinger, P., Pöschl, U., Shiraiwa, M., and Huisman, A. J.: Technical Note: Monte-Carlo genetic algorithm (MCGA) for model analysis of multiphase chemical kinetics to determine transport and reaction rate coefficients using multiple experimental data sets, Atmos. Chem. Phys. 17, 8021-8029, (2017).

(21) Liu, F., Lakey, P. S. J., Berkemeier, T., Tong, H., Kunert, A. T., Meusel, H., Su, H., Cheng , Y., Fröhlich-Nowoisky, J., Lai, S., Weller, M. G., Shiraiwa, M., Pöschl, U., and Kampf, C. J.: Atmospheric protein chemistry influenced by anthropogenic air pollutants: nitration and oligomerization upon exposure to ozone and nitrogen dioxide, Faraday Discuss. 200, 413-427, (2017).

(20) Tong, H., Lakey, P. S. J., Arangio, A. M., Socorro, J., Kampf, C. J., Berkemeier, T., Brune, W. H., Pöschl, U., and Shiraiwa, M.: Reactive oxygen species formed in aqueous mixtures of secondary organic aerosols and mineral dust influencing cloud chemistry and public health in the Anthropocene, Faraday Discuss. 200, 251-270, (2017).

(19) Charnawskas, J. C., Alpert, P. A., Lambe, A., Berkemeier, T., O’Brien, R. E., Massoli, P., Onasch, T. B., Shiraiwa, M., Moffet, R. C., Gilles, M. K., Davidovits, P., Worsnop, D., and Knopf, D. A.: Condensed-phase biogenic-anthropogenic interactions with implications for cold cloud formation, Faraday Discuss. 200, 165-194, (2017).

(18) Lakey, P. S. J., Wisthaler, A., Berkemeier, T., Mikoviny, T., Pöschl, U., and Shiraiwa, M.: Chemical kinetics of multiphase reactions between ozone and human skin lipids: implications for indoor air quality and health effects, Indoor Air 27, 816-828, (2017).

(17) Lakey, P. S. J., Berkemeier, T., Tong, H., Arangio, A. M., Lucas, K., Pöschl, U., and Shiraiwa, M.: Chemical exposure-response relationship between air pollutants and reactive oxygen species in the human respiratory tract, Sci. Rep. 6, 32916, (2016). 

(16) Berkemeier, T., Ammann, M., Mentel, T. F., Pöschl, U., and Shiraiwa, M.: Organic nitrate contribution to new particle formation and growth in secondary organic aerosols from α-pinene ozonolysis, Environ. Sci. Technol. 50, 6334-6342, (2016).

(15) Lakey, P. S. J., Berkemeier, T., Krapf, M., Dommen, J., Steimer, S. S., Whalley, L. K., Ingham, T., Baeza-Romero, M. T., Pöschl, U., Shiraiwa, M., Ammann, M., and Heard, D. E.: The effect of viscosity on the HO₂ uptake by sucrose and secondary organic aerosol particles, Atmos. Chem. Phys. 16, 13035-13047, (2016).

(14) Hodas, N., Zuend, A., Schilling, K., Berkemeier, T., Shiraiwa, M., Flagan, R. C., and Seinfeld, J. H.: Discontinuities in hygroscopic growth below and above water saturation for laboratory surrogates of oligomers in organic atmospheric aerosols, Atmos. Chem. Phys. 16, 12767-12792, (2016).

(13) Berkemeier, T., Steimer, S. S., Krieger, U. K., Peter, T., Pöschl, U., Ammann, M., and Shiraiwa, M.: Ozone uptake on glassy, semi-solid and liquid organic matter and the role of reactive oxygen intermediates in atmospheric aerosol chemistry, Phys. Chem. Chem. Phys. 18, 12662-12674, (2016). 

(12) Tong, H., Arangio, A. M., Lakey, P. S. J., Berkemeier, T., Liu, F., Kampf, C. J., Pöschl, U., and Shiraiwa, M.: Hydroxyl radicals from secondary organic aerosol decomposition in water, Atmos. Chem. Phys. 16, 1761-1771, (2016).

(11) Hosny, N. A., Fitzgerald, C., Vysniauskas, A., Athanasiadis, T., Berkemeier, T., Uygur, N., Pöschl, U., Shiraiwa, M., Kalberer M., Pope, F. D., Kuimova, M. K.: Direct imaging of changes in aerosol particle viscosity upon hydration and chemical aging, Chem. Sci. 7, 1357-1367, (2016).

(10) Weber, B., Berkemeier, T., Ruckteschler, N., Caesar, J., Heintz, H., Ritter, H., and Braß, H.: Development and calibration of a novel sensor to analyze the water content of biological soil crusts and surface soils, Methods Ecol. Evol. 7, 14-22, (2016).

(9) Steimer, S. S., Berkemeier, T., Gilgen, A., Krieger, U. K., Peter, T., Shiraiwa, M., and Ammann, M.: Shikimic acid ozonolysis kinetics in the transition from liquid aqueous solution to highly viscous glass, Phys. Chem. Chem. Phys. 17, 31101-31109, (2015).

(8) Kampf, C. J., Liu, F., Reinmuth-Selzle, K., Berkemeier, T., Meusel, H., Shiraiwa, M., and Pöschl, U.: Proteine Cross-Linking ad Oligomerization through Dityrosine Formation upon Exposure to Ozone, Environ. Sci. Technol. 49, 10859-10866, (2015).

(7) Gržinić, G., Bartels-Rausch, T., Berkemeier, T., Türler, A., and Ammann, M.: Viscosity controls humidity dependence of N₂O₅ uptake to citric acid aerosol, Atmos. Chem. Phys. 15, 13615-13625, (2015).

(6) Arangio, A., Slade, J. H., Berkemeier, T., Pöschl, U., Knopf, D. A., and Shiraiwa M.: Multiphase chemical kinetics of OH radical uptake by molecular organic markers of biomass burning aerosols: humidity and temperature dependence, surface reaction and bulk diffusion, J. Phys. Chem. A 119, 4533-4544, (2015).

(5) Berkemeier, T., Shiraiwa, M., Pöschl, U., and Koop, T.: Competition between water uptake and ice nucleation by glassy organic aerosol particles, Atmos. Chem. Phys. 14, 12513-12531, (2014).

(3) Shiraiwa, M., Berkemeier, T., Schilling-Fahnestock, K. A., Seinfeld, J. H., Pöschl, U.: Molecular corridors and kinetic regimes in the multiphase chemical evolution of secondary organic aerosol, Atmos. Chem. Phys. 14, 8323-8341, (2014).

(2) Berkemeier, T., Huisman A. J., Ammann, M., Shiraiwa, M., Koop, T. and Pöschl, U.: Kinetic regimes and limiting cases of gas uptake and heterogeneous reactions in atmospheric aerosols and clouds: a general classification scheme, Atmos. Chem. Phys. 13, 6663–6686, (2013).

(1) Nagel, L., Plattner, C., Budke, C., Majer, Z., Devries, A. L., Berkemeier, T., Koop, T. and Sewald, N.: Synthesis and characterization of natural and modified antifreeze glycopeptides: glycosylated foldamers, Amino Acids 41, 719–732, (2011).