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Technol. 51 (7) (2017) 4018–4026.","bibtex":"@article{Slawik_Rickmeyer_Brehm_Böhme_Schüürmann_2017, title={Glutathione Adduct Patterns of Michael-Acceptor Carbonyls}, volume={51 (7)}, DOI={<a href=\"https://doi.org/10.1021/acs.est.6b04981\">10.1021/acs.est.6b04981</a>}, journal={Environ. Sci. Technol.}, author={Slawik, C. and Rickmeyer, C. and Brehm, Martin and Böhme, A. and Schüürmann, G.}, year={2017}, pages={4018–4026} }","mla":"Slawik, C., et al. “Glutathione Adduct Patterns of Michael-Acceptor Carbonyls.” <i>Environ. Sci. Technol.</i>, vol. 51 (7), 2017, pp. 4018–26, doi:<a href=\"https://doi.org/10.1021/acs.est.6b04981\">10.1021/acs.est.6b04981</a>.","apa":"Slawik, C., Rickmeyer, C., Brehm, M., Böhme, A., &#38; Schüürmann, G. (2017). Glutathione Adduct Patterns of Michael-Acceptor Carbonyls. <i>Environ. Sci. Technol.</i>, <i>51 (7)</i>, 4018–4026. <a href=\"https://doi.org/10.1021/acs.est.6b04981\">https://doi.org/10.1021/acs.est.6b04981</a>"},"page":"4018-4026","year":"2017","author":[{"first_name":"C.","last_name":"Slawik","full_name":"Slawik, C."},{"last_name":"Rickmeyer","full_name":"Rickmeyer, C.","first_name":"C."},{"last_name":"Brehm","id":"100167","full_name":"Brehm, Martin","first_name":"Martin"},{"last_name":"Böhme","full_name":"Böhme, A.","first_name":"A."},{"last_name":"Schüürmann","full_name":"Schüürmann, G.","first_name":"G."}],"date_created":"2023-05-16T20:22:01Z","volume":"51 (7)","date_updated":"2023-05-16T20:42:06Z","doi":"10.1021/acs.est.6b04981","title":"Glutathione Adduct Patterns of Michael-Acceptor Carbonyls","type":"journal_article","publication":"Environ. Sci. Technol.","status":"public","user_id":"100167","department":[{"_id":"803"}],"_id":"44981","language":[{"iso":"eng"}],"extern":"1"},{"type":"journal_article","publication":"Adv. Exp. Med. Biol.","status":"public","user_id":"100167","department":[{"_id":"803"}],"_id":"44985","language":[{"iso":"eng"}],"extern":"1","citation":{"apa":"Brehm, M., Kafka, A., Bamler, M., Kühne, R., Schüürmann, G., Sikk, L., Burk, J., Burk, P., Tamm, T., Tämm, K., Pokhrel, S., Mädler, L., Kahru, A., Aruoja, V., Sihtmäe, M., Scott-Fordsmand, J., Sorensen, P. B., Escorihuela, L., Roca, C. P., … Rallo, R. (2017). An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7 MODERN Project. <i>Adv. Exp. Med. Biol.</i>, <i>947</i>, 257–301. <a href=\"https://doi.org/10.1007/978-3-319-47754-1_9\">https://doi.org/10.1007/978-3-319-47754-1_9</a>","short":"M. Brehm, A. Kafka, M. Bamler, R. Kühne, G. Schüürmann, L. Sikk, J. Burk, P. Burk, T. Tamm, K. Tämm, S. Pokhrel, L. Mädler, A. Kahru, V. Aruoja, M. Sihtmäe, J. Scott-Fordsmand, P.B. Sorensen, L. Escorihuela, C.P. Roca, A. Fernández, F. Giralt, R. Rallo, Adv. Exp. Med. Biol. 947 (2017) 257–301.","mla":"Brehm, Martin, et al. “An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7 MODERN Project.” <i>Adv. Exp. Med. Biol.</i>, vol. 947, 2017, pp. 257–301, doi:<a href=\"https://doi.org/10.1007/978-3-319-47754-1_9\">10.1007/978-3-319-47754-1_9</a>.","bibtex":"@article{Brehm_Kafka_Bamler_Kühne_Schüürmann_Sikk_Burk_Burk_Tamm_Tämm_et al._2017, title={An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7 MODERN Project.}, volume={947}, DOI={<a href=\"https://doi.org/10.1007/978-3-319-47754-1_9\">10.1007/978-3-319-47754-1_9</a>}, journal={Adv. Exp. Med. Biol.}, author={Brehm, Martin and Kafka, A. and Bamler, M. and Kühne, R. and Schüürmann, G. and Sikk, L. and Burk, J. and Burk, P. and Tamm, T. and Tämm, K. and et al.}, year={2017}, pages={257–301} }","ama":"Brehm M, Kafka A, Bamler M, et al. An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7 MODERN Project. <i>Adv Exp Med Biol</i>. 2017;947:257-301. doi:<a href=\"https://doi.org/10.1007/978-3-319-47754-1_9\">10.1007/978-3-319-47754-1_9</a>","chicago":"Brehm, Martin, A. Kafka, M. Bamler, R. Kühne, G. Schüürmann, L. Sikk, J. Burk, et al. “An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7 MODERN Project.” <i>Adv. Exp. Med. Biol.</i> 947 (2017): 257–301. <a href=\"https://doi.org/10.1007/978-3-319-47754-1_9\">https://doi.org/10.1007/978-3-319-47754-1_9</a>.","ieee":"M. Brehm <i>et al.</i>, “An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7 MODERN Project.,” <i>Adv. Exp. Med. Biol.</i>, vol. 947, pp. 257–301, 2017, doi: <a href=\"https://doi.org/10.1007/978-3-319-47754-1_9\">10.1007/978-3-319-47754-1_9</a>."},"intvolume":"       947","page":"257-301","year":"2017","author":[{"first_name":"Martin","last_name":"Brehm","id":"100167","full_name":"Brehm, Martin"},{"first_name":"A.","last_name":"Kafka","full_name":"Kafka, A."},{"first_name":"M.","full_name":"Bamler, M.","last_name":"Bamler"},{"first_name":"R.","last_name":"Kühne","full_name":"Kühne, R."},{"first_name":"G.","full_name":"Schüürmann, G.","last_name":"Schüürmann"},{"first_name":"L.","full_name":"Sikk, L.","last_name":"Sikk"},{"full_name":"Burk, J.","last_name":"Burk","first_name":"J."},{"full_name":"Burk, P.","last_name":"Burk","first_name":"P."},{"first_name":"T.","last_name":"Tamm","full_name":"Tamm, T."},{"first_name":"K.","full_name":"Tämm, K.","last_name":"Tämm"},{"full_name":"Pokhrel, S.","last_name":"Pokhrel","first_name":"S."},{"last_name":"Mädler","full_name":"Mädler, L.","first_name":"L."},{"last_name":"Kahru","full_name":"Kahru, A.","first_name":"A."},{"last_name":"Aruoja","full_name":"Aruoja, V.","first_name":"V."},{"full_name":"Sihtmäe, M.","last_name":"Sihtmäe","first_name":"M."},{"full_name":"Scott-Fordsmand, J.","last_name":"Scott-Fordsmand","first_name":"J."},{"first_name":"P. B.","full_name":"Sorensen, P. B.","last_name":"Sorensen"},{"last_name":"Escorihuela","full_name":"Escorihuela, L.","first_name":"L."},{"first_name":"C. P.","last_name":"Roca","full_name":"Roca, C. P."},{"first_name":"A.","full_name":"Fernández, A.","last_name":"Fernández"},{"first_name":"F.","full_name":"Giralt, F.","last_name":"Giralt"},{"last_name":"Rallo","full_name":"Rallo, R.","first_name":"R."}],"date_created":"2023-05-16T20:22:02Z","volume":947,"date_updated":"2023-05-16T20:42:55Z","doi":"10.1007/978-3-319-47754-1_9","title":"An Integrated Data-Driven Strategy for Safe-by-Design Nanoparticles: The FP7 MODERN Project."},{"publication":"Polymers","abstract":[{"lang":"eng","text":"<jats:p>We investigated the effect of fluorinated molecules on dipalmitoylphosphatidylcholine (DPPC) bilayers by force-field molecular dynamics simulations. In the first step, we developed all-atom force-field parameters for additive molecules in membranes to enable an accurate description of those systems. On the basis of this force field, we performed extensive simulations of various bilayer systems containing different additives. The additive molecules were chosen to be of different size and shape, and they included small molecules such as perfluorinated alcohols, but also more complex molecules. From these simulations, we investigated the structural and dynamic effects of the additives on the membrane properties, as well as the behavior of the additive molecules themselves. Our results are in good agreement with other theoretical and experimental studies, and they contribute to a microscopic understanding of interactions, which might be used to specifically tune membrane properties by additives in the future.</jats:p>"}],"language":[{"iso":"eng"}],"keyword":["Polymers and Plastics","General Chemistry"],"issue":"9","year":"2017","date_created":"2023-05-21T15:02:10Z","publisher":"MDPI AG","title":"Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7)","type":"journal_article","status":"public","department":[{"_id":"803"}],"user_id":"100167","_id":"45183","extern":"1","article_number":"445","publication_identifier":{"issn":["2073-4360"]},"publication_status":"published","intvolume":"         9","citation":{"chicago":"Peschel, Christopher, Martin Brehm, and Daniel Sebastiani. “Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7).” <i>Polymers</i> 9, no. 9 (2017). <a href=\"https://doi.org/10.3390/polym9090445\">https://doi.org/10.3390/polym9090445</a>.","ieee":"C. Peschel, M. Brehm, and D. Sebastiani, “Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7),” <i>Polymers</i>, vol. 9, no. 9, Art. no. 445, 2017, doi: <a href=\"https://doi.org/10.3390/polym9090445\">10.3390/polym9090445</a>.","ama":"Peschel C, Brehm M, Sebastiani D. Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7). <i>Polymers</i>. 2017;9(9). doi:<a href=\"https://doi.org/10.3390/polym9090445\">10.3390/polym9090445</a>","apa":"Peschel, C., Brehm, M., &#38; Sebastiani, D. (2017). Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7). <i>Polymers</i>, <i>9</i>(9), Article 445. <a href=\"https://doi.org/10.3390/polym9090445\">https://doi.org/10.3390/polym9090445</a>","bibtex":"@article{Peschel_Brehm_Sebastiani_2017, title={Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7)}, volume={9}, DOI={<a href=\"https://doi.org/10.3390/polym9090445\">10.3390/polym9090445</a>}, number={9445}, journal={Polymers}, publisher={MDPI AG}, author={Peschel, Christopher and Brehm, Martin and Sebastiani, Daniel}, year={2017} }","mla":"Peschel, Christopher, et al. “Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7).” <i>Polymers</i>, vol. 9, no. 9, 445, MDPI AG, 2017, doi:<a href=\"https://doi.org/10.3390/polym9090445\">10.3390/polym9090445</a>.","short":"C. Peschel, M. Brehm, D. Sebastiani, Polymers 9 (2017)."},"volume":9,"author":[{"last_name":"Peschel","full_name":"Peschel, Christopher","first_name":"Christopher"},{"full_name":"Brehm, Martin","id":"100167","last_name":"Brehm","first_name":"Martin"},{"first_name":"Daniel","full_name":"Sebastiani, Daniel","last_name":"Sebastiani"}],"date_updated":"2023-05-21T15:02:55Z","doi":"10.3390/polym9090445"},{"department":[{"_id":"803"}],"user_id":"100167","_id":"44980","extern":"1","language":[{"iso":"eng"}],"publication":"Environ. Sci. Technol.","type":"journal_article","status":"public","volume":"49 (10)","author":[{"first_name":"M.","last_name":"Cooper","full_name":"Cooper, M."},{"first_name":"A.","full_name":"Wagner, A.","last_name":"Wagner"},{"full_name":"Wondrousch, D.","last_name":"Wondrousch","first_name":"D."},{"full_name":"Sonntag, F.","last_name":"Sonntag","first_name":"F."},{"last_name":"Sonnabend","full_name":"Sonnabend, A.","first_name":"A."},{"first_name":"Martin","id":"100167","full_name":"Brehm, Martin","last_name":"Brehm"},{"last_name":"Schüürmann","full_name":"Schüürmann, G.","first_name":"G."},{"last_name":"Adrian","full_name":"Adrian, L.","first_name":"L."}],"date_created":"2023-05-16T20:22:01Z","date_updated":"2023-05-16T20:41:42Z","doi":"10.1021/acs.est.5b00303","title":"Anaerobic Microbial Transformation of Halogenated Aromatics and Fate Prediction Using Electron Density Modeling","page":"6018-6028","citation":{"ieee":"M. Cooper <i>et al.</i>, “Anaerobic Microbial Transformation of Halogenated Aromatics and Fate Prediction Using Electron Density Modeling,” <i>Environ. Sci. Technol.</i>, vol. 49 (10), pp. 6018–6028, 2015, doi: <a href=\"https://doi.org/10.1021/acs.est.5b00303\">10.1021/acs.est.5b00303</a>.","chicago":"Cooper, M., A. Wagner, D. Wondrousch, F. Sonntag, A. Sonnabend, Martin Brehm, G. Schüürmann, and L. Adrian. “Anaerobic Microbial Transformation of Halogenated Aromatics and Fate Prediction Using Electron Density Modeling.” <i>Environ. Sci. Technol.</i> 49 (10) (2015): 6018–28. <a href=\"https://doi.org/10.1021/acs.est.5b00303\">https://doi.org/10.1021/acs.est.5b00303</a>.","ama":"Cooper M, Wagner A, Wondrousch D, et al. Anaerobic Microbial Transformation of Halogenated Aromatics and Fate Prediction Using Electron Density Modeling. <i>Environ Sci Technol</i>. 2015;49 (10):6018-6028. doi:<a href=\"https://doi.org/10.1021/acs.est.5b00303\">10.1021/acs.est.5b00303</a>","apa":"Cooper, M., Wagner, A., Wondrousch, D., Sonntag, F., Sonnabend, A., Brehm, M., Schüürmann, G., &#38; Adrian, L. (2015). Anaerobic Microbial Transformation of Halogenated Aromatics and Fate Prediction Using Electron Density Modeling. <i>Environ. Sci. Technol.</i>, <i>49 (10)</i>, 6018–6028. <a href=\"https://doi.org/10.1021/acs.est.5b00303\">https://doi.org/10.1021/acs.est.5b00303</a>","bibtex":"@article{Cooper_Wagner_Wondrousch_Sonntag_Sonnabend_Brehm_Schüürmann_Adrian_2015, title={Anaerobic Microbial Transformation of Halogenated Aromatics and Fate Prediction Using Electron Density Modeling}, volume={49 (10)}, DOI={<a href=\"https://doi.org/10.1021/acs.est.5b00303\">10.1021/acs.est.5b00303</a>}, journal={Environ. Sci. Technol.}, author={Cooper, M. and Wagner, A. and Wondrousch, D. and Sonntag, F. and Sonnabend, A. and Brehm, Martin and Schüürmann, G. and Adrian, L.}, year={2015}, pages={6018–6028} }","short":"M. Cooper, A. Wagner, D. Wondrousch, F. Sonntag, A. Sonnabend, M. Brehm, G. Schüürmann, L. Adrian, Environ. Sci. Technol. 49 (10) (2015) 6018–6028.","mla":"Cooper, M., et al. “Anaerobic Microbial Transformation of Halogenated Aromatics and Fate Prediction Using Electron Density Modeling.” <i>Environ. Sci. Technol.</i>, vol. 49 (10), 2015, pp. 6018–28, doi:<a href=\"https://doi.org/10.1021/acs.est.5b00303\">10.1021/acs.est.5b00303</a>."},"year":"2015"},{"_id":"44977","user_id":"100167","department":[{"_id":"803"}],"extern":"1","language":[{"iso":"eng"}],"type":"journal_article","publication":"ChemPhysChem","status":"public","date_updated":"2023-05-16T20:41:28Z","date_created":"2023-05-16T20:22:01Z","author":[{"full_name":"Hollóczki, O.","last_name":"Hollóczki","first_name":"O."},{"last_name":"Macchiagodena","full_name":"Macchiagodena, M.","first_name":"M."},{"first_name":"H.","last_name":"Weber","full_name":"Weber, H."},{"full_name":"Thomas, M.","last_name":"Thomas","first_name":"M."},{"last_name":"Brehm","full_name":"Brehm, Martin","id":"100167","first_name":"Martin"},{"first_name":"A.","full_name":"Stark, A.","last_name":"Stark"},{"first_name":"O.","full_name":"Russina, O.","last_name":"Russina"},{"first_name":"A.","full_name":"Triolo, A.","last_name":"Triolo"},{"first_name":"B.","full_name":"Kirchner, B.","last_name":"Kirchner"}],"volume":"16 (15)","title":"Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid Mixtures","doi":"10.1002/cphc.201500473","year":"2015","citation":{"short":"O. Hollóczki, M. Macchiagodena, H. Weber, M. Thomas, M. Brehm, A. Stark, O. Russina, A. Triolo, B. Kirchner, ChemPhysChem 16 (15) (2015) 3325–3333.","mla":"Hollóczki, O., et al. “Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid Mixtures.” <i>ChemPhysChem</i>, vol. 16 (15), 2015, pp. 3325–33, doi:<a href=\"https://doi.org/10.1002/cphc.201500473\">10.1002/cphc.201500473</a>.","bibtex":"@article{Hollóczki_Macchiagodena_Weber_Thomas_Brehm_Stark_Russina_Triolo_Kirchner_2015, title={Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid Mixtures}, volume={16 (15)}, DOI={<a href=\"https://doi.org/10.1002/cphc.201500473\">10.1002/cphc.201500473</a>}, journal={ChemPhysChem}, author={Hollóczki, O. and Macchiagodena, M. and Weber, H. and Thomas, M. and Brehm, Martin and Stark, A. and Russina, O. and Triolo, A. and Kirchner, B.}, year={2015}, pages={3325–3333} }","apa":"Hollóczki, O., Macchiagodena, M., Weber, H., Thomas, M., Brehm, M., Stark, A., Russina, O., Triolo, A., &#38; Kirchner, B. (2015). Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid Mixtures. <i>ChemPhysChem</i>, <i>16 (15)</i>, 3325–3333. <a href=\"https://doi.org/10.1002/cphc.201500473\">https://doi.org/10.1002/cphc.201500473</a>","ama":"Hollóczki O, Macchiagodena M, Weber H, et al. Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid Mixtures. <i>ChemPhysChem</i>. 2015;16 (15):3325-3333. doi:<a href=\"https://doi.org/10.1002/cphc.201500473\">10.1002/cphc.201500473</a>","ieee":"O. Hollóczki <i>et al.</i>, “Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid Mixtures,” <i>ChemPhysChem</i>, vol. 16 (15), pp. 3325–3333, 2015, doi: <a href=\"https://doi.org/10.1002/cphc.201500473\">10.1002/cphc.201500473</a>.","chicago":"Hollóczki, O., M. Macchiagodena, H. Weber, M. Thomas, Martin Brehm, A. Stark, O. Russina, A. Triolo, and B. Kirchner. “Triphilic Ionic-Liquid Mixtures: Fluorinated and Non-Fluorinated Aprotic Ionic-Liquid Mixtures.” <i>ChemPhysChem</i> 16 (15) (2015): 3325–33. <a href=\"https://doi.org/10.1002/cphc.201500473\">https://doi.org/10.1002/cphc.201500473</a>."},"page":"3325-3333"}]