[{"language":[{"iso":"eng"}],"article_number":"105722","article_type":"original","user_id":"23547","department":[{"_id":"9"},{"_id":"35"},{"_id":"2"},{"_id":"307"}],"_id":"25896","status":"public","abstract":[{"lang":"eng","text":"In this report, a flame spray pyrolysis setup has been examined with various in situ extraction methods of particle samples along the flame axis. First, two precursor formulations leading to the formation of iron oxide nanoparticles were used in a standardized SpraySyn burner system, and the final particle outcome was characterized by a broad range of established powder characterization techniques (TEM/HRTEM, SAXS, XRD, BET). The characterization of the powder products evidenced that mostly homogeneous gas-to-particle conversion takes place when applying an acidic precursor solution, whereas the absence of the acid leads to a dominant droplet-to-particle pathway. Our study indicates that a droplet-to-particle-pathway could be present even when processing the acidic formulation. However, even if a secondary pathway might take place in this case as well, it is not dominant and nearly negligible. Subsequently, the in situ particle structure evolution was investigated for the dominant gas-to-particle pathway, and particles were extracted along the flame axis for online SMPS and offline TEM/HRTEM analysis. Due to the highly reactive conditions within the flame (high temperatures, turbulent flow field, high particle number concentrations), the extraction of representative samples from spray flames is challenging. In order to handle the reactive conditions, two extraction techniques were tailored in this report. To extract an aerosol sample within the flame for SMPS measurement, a Hole in a Tube probe was adjusted. Thus, the mobility particle diameter as well as the corresponding distribution widths were obtained at different heights above the burner along the flame axis. For TEM/HRTEM image analysis, particle samples were collected thermophoretically by means of a tailored shutter system. Since all sampling grids were protected until reaching the flame axis and due to the low sampling time, momentary captures of local particle structures could be extracted precisely. The particle morphologies have clearly shown an evolution from spherical and paired particles in the flame center to fractal and compact agglomerates at later synthesis stages."}],"type":"journal_article","publication":"Journal of Aerosol Science","doi":"10.1016/j.jaerosci.2020.105722","title":"Examination of the evolution of iron oxide nanoparticles in flame spray pyrolysis by tailored in situ particle sampling techniques","author":[{"first_name":"R.","full_name":"Tischendorf, R.","last_name":"Tischendorf"},{"first_name":"M.","last_name":"Simmler","full_name":"Simmler, M."},{"last_name":"Weinberger","full_name":"Weinberger, Christian","id":"11848","first_name":"Christian"},{"full_name":"Bieber, M.","last_name":"Bieber","first_name":"M."},{"full_name":"Reddemann, M.","last_name":"Reddemann","first_name":"M."},{"first_name":"F.","full_name":"Fröde, F.","last_name":"Fröde"},{"first_name":"J.","full_name":"Lindner, J.","last_name":"Lindner"},{"last_name":"Pitsch","full_name":"Pitsch, H.","first_name":"H."},{"first_name":"R.","last_name":"Kneer","full_name":"Kneer, R."},{"first_name":"Michael","full_name":"Tiemann, Michael","id":"23547","last_name":"Tiemann","orcid":"0000-0003-1711-2722"},{"last_name":"Nirschl","full_name":"Nirschl, H.","first_name":"H."},{"first_name":"H.-J.","last_name":"Schmid","full_name":"Schmid, H.-J."}],"date_created":"2021-10-08T10:07:18Z","date_updated":"2023-03-08T08:07:30Z","citation":{"bibtex":"@article{Tischendorf_Simmler_Weinberger_Bieber_Reddemann_Fröde_Lindner_Pitsch_Kneer_Tiemann_et al._2021, title={Examination of the evolution of iron oxide nanoparticles in flame spray pyrolysis by tailored in situ particle sampling techniques}, DOI={<a href=\"https://doi.org/10.1016/j.jaerosci.2020.105722\">10.1016/j.jaerosci.2020.105722</a>}, number={105722}, journal={Journal of Aerosol Science}, author={Tischendorf, R. and Simmler, M. and Weinberger, Christian and Bieber, M. and Reddemann, M. and Fröde, F. and Lindner, J. and Pitsch, H. and Kneer, R. and Tiemann, Michael and et al.}, year={2021} }","short":"R. Tischendorf, M. Simmler, C. Weinberger, M. Bieber, M. Reddemann, F. Fröde, J. Lindner, H. Pitsch, R. Kneer, M. Tiemann, H. Nirschl, H.-J. Schmid, Journal of Aerosol Science (2021).","mla":"Tischendorf, R., et al. “Examination of the Evolution of Iron Oxide Nanoparticles in Flame Spray Pyrolysis by Tailored in Situ Particle Sampling Techniques.” <i>Journal of Aerosol Science</i>, 105722, 2021, doi:<a href=\"https://doi.org/10.1016/j.jaerosci.2020.105722\">10.1016/j.jaerosci.2020.105722</a>.","apa":"Tischendorf, R., Simmler, M., Weinberger, C., Bieber, M., Reddemann, M., Fröde, F., Lindner, J., Pitsch, H., Kneer, R., Tiemann, M., Nirschl, H., &#38; Schmid, H.-J. (2021). Examination of the evolution of iron oxide nanoparticles in flame spray pyrolysis by tailored in situ particle sampling techniques. <i>Journal of Aerosol Science</i>, Article 105722. <a href=\"https://doi.org/10.1016/j.jaerosci.2020.105722\">https://doi.org/10.1016/j.jaerosci.2020.105722</a>","chicago":"Tischendorf, R., M. Simmler, Christian Weinberger, M. Bieber, M. Reddemann, F. Fröde, J. Lindner, et al. “Examination of the Evolution of Iron Oxide Nanoparticles in Flame Spray Pyrolysis by Tailored in Situ Particle Sampling Techniques.” <i>Journal of Aerosol Science</i>, 2021. <a href=\"https://doi.org/10.1016/j.jaerosci.2020.105722\">https://doi.org/10.1016/j.jaerosci.2020.105722</a>.","ieee":"R. Tischendorf <i>et al.</i>, “Examination of the evolution of iron oxide nanoparticles in flame spray pyrolysis by tailored in situ particle sampling techniques,” <i>Journal of Aerosol Science</i>, Art. no. 105722, 2021, doi: <a href=\"https://doi.org/10.1016/j.jaerosci.2020.105722\">10.1016/j.jaerosci.2020.105722</a>.","ama":"Tischendorf R, Simmler M, Weinberger C, et al. Examination of the evolution of iron oxide nanoparticles in flame spray pyrolysis by tailored in situ particle sampling techniques. <i>Journal of Aerosol Science</i>. Published online 2021. doi:<a href=\"https://doi.org/10.1016/j.jaerosci.2020.105722\">10.1016/j.jaerosci.2020.105722</a>"},"year":"2021","publication_status":"published","publication_identifier":{"issn":["0021-8502"]},"quality_controlled":"1"},{"abstract":[{"lang":"eng","text":"Photodynamic therapy (PDT) using TiO2 nanoparticles has become an important alternative treatment for different types of cancer due to their high photocatalytic activity and high absorption of UV-A light. To potentiate this treatment, we have coated commercial glass plates with TiO2 nanoparticles prepared by the sol–gel method (TiO2-m), which exhibit a remarkable selectivity for the irreversible trapping of cancer cells. The physicochemical properties of the deposited TiO2-m nanoparticle coatings have been characterized by a number of complementary surface-analytical techniques and their interaction with leukemia and healthy blood cells were investigated. Scanning electron and atomic force microscopy verify the formation of a compact layer of TiO2-m nanoparticles. The particles are predominantly in the anatase phase and have hydroxyl-terminated surfaces as revealed by Raman, X-ray photoelectron, and infrared spectroscopy, as well as X-ray diffraction. We find that lymphoblastic leukemia cells adhere to the TiO2-m coating and undergo amoeboid-like migration, whereas lymphocytic cells show distinctly weaker interactions with the coating. This evidences the potential of this nanomaterial coating to selectively trap cancer cells and renders it a promising candidate for the development of future prototypes of PDT devices for the treatment of leukemia and other types of cancers with non-adherent cells."}],"publication":"Journal of Biomedical Materials Research Part B: Applied Biomaterials","language":[{"iso":"eng"}],"year":"2021","quality_controlled":"1","title":"TiO2 nanoparticle coatings on glass surfaces for the selective trapping of leukemia cells from peripheral blood","date_created":"2021-07-08T11:34:21Z","status":"public","type":"journal_article","article_type":"original","user_id":"23547","department":[{"_id":"302"},{"_id":"307"},{"_id":"35"},{"_id":"2"}],"_id":"22635","citation":{"ieee":"J. A. Garcia Diosa <i>et al.</i>, “TiO2 nanoparticle coatings on glass surfaces for the selective trapping of leukemia cells from peripheral blood,” <i>Journal of Biomedical Materials Research Part B: Applied Biomaterials</i>, vol. 109, pp. 2142–2153, 2021, doi: <a href=\"https://doi.org/10.1002/jbm.b.34862\">10.1002/jbm.b.34862</a>.","chicago":"Garcia Diosa, Jaime Andres, Alejandro Gonzalez Orive, Christian Weinberger, Sabrina Schwiderek, Steffen Knust, Michael Tiemann, Guido Grundmeier, Adrian Keller, and Ruben Jesus Camargo Amado. “TiO2 Nanoparticle Coatings on Glass Surfaces for the Selective Trapping of Leukemia Cells from Peripheral Blood.” <i>Journal of Biomedical Materials Research Part B: Applied Biomaterials</i> 109 (2021): 2142–2153. <a href=\"https://doi.org/10.1002/jbm.b.34862\">https://doi.org/10.1002/jbm.b.34862</a>.","ama":"Garcia Diosa JA, Gonzalez Orive A, Weinberger C, et al. TiO2 nanoparticle coatings on glass surfaces for the selective trapping of leukemia cells from peripheral blood. <i>Journal of Biomedical Materials Research Part B: Applied Biomaterials</i>. 2021;109:2142–2153. doi:<a href=\"https://doi.org/10.1002/jbm.b.34862\">10.1002/jbm.b.34862</a>","apa":"Garcia Diosa, J. A., Gonzalez Orive, A., Weinberger, C., Schwiderek, S., Knust, S., Tiemann, M., Grundmeier, G., Keller, A., &#38; Camargo Amado, R. J. (2021). TiO2 nanoparticle coatings on glass surfaces for the selective trapping of leukemia cells from peripheral blood. <i>Journal of Biomedical Materials Research Part B: Applied Biomaterials</i>, <i>109</i>, 2142–2153. <a href=\"https://doi.org/10.1002/jbm.b.34862\">https://doi.org/10.1002/jbm.b.34862</a>","mla":"Garcia Diosa, Jaime Andres, et al. “TiO2 Nanoparticle Coatings on Glass Surfaces for the Selective Trapping of Leukemia Cells from Peripheral Blood.” <i>Journal of Biomedical Materials Research Part B: Applied Biomaterials</i>, vol. 109, 2021, pp. 2142–2153, doi:<a href=\"https://doi.org/10.1002/jbm.b.34862\">10.1002/jbm.b.34862</a>.","bibtex":"@article{Garcia Diosa_Gonzalez Orive_Weinberger_Schwiderek_Knust_Tiemann_Grundmeier_Keller_Camargo Amado_2021, title={TiO2 nanoparticle coatings on glass surfaces for the selective trapping of leukemia cells from peripheral blood}, volume={109}, DOI={<a href=\"https://doi.org/10.1002/jbm.b.34862\">10.1002/jbm.b.34862</a>}, journal={Journal of Biomedical Materials Research Part B: Applied Biomaterials}, author={Garcia Diosa, Jaime Andres and Gonzalez Orive, Alejandro and Weinberger, Christian and Schwiderek, Sabrina and Knust, Steffen and Tiemann, Michael and Grundmeier, Guido and Keller, Adrian and Camargo Amado, Ruben Jesus}, year={2021}, pages={2142–2153} }","short":"J.A. Garcia Diosa, A. Gonzalez Orive, C. Weinberger, S. Schwiderek, S. Knust, M. Tiemann, G. Grundmeier, A. Keller, R.J. Camargo Amado, Journal of Biomedical Materials Research Part B: Applied Biomaterials 109 (2021) 2142–2153."},"intvolume":"       109","page":"2142–2153","publication_status":"published","publication_identifier":{"issn":["1552-4973","1552-4981"]},"doi":"10.1002/jbm.b.34862","author":[{"full_name":"Garcia Diosa, Jaime Andres","last_name":"Garcia Diosa","first_name":"Jaime Andres"},{"full_name":"Gonzalez Orive, Alejandro","last_name":"Gonzalez Orive","first_name":"Alejandro"},{"first_name":"Christian","id":"11848","full_name":"Weinberger, Christian","last_name":"Weinberger"},{"last_name":"Schwiderek","full_name":"Schwiderek, Sabrina","first_name":"Sabrina"},{"full_name":"Knust, Steffen","last_name":"Knust","first_name":"Steffen"},{"first_name":"Michael","orcid":"0000-0003-1711-2722","last_name":"Tiemann","id":"23547","full_name":"Tiemann, Michael"},{"last_name":"Grundmeier","id":"194","full_name":"Grundmeier, Guido","first_name":"Guido"},{"first_name":"Adrian","last_name":"Keller","orcid":"0000-0001-7139-3110","full_name":"Keller, Adrian","id":"48864"},{"first_name":"Ruben Jesus","full_name":"Camargo Amado, Ruben Jesus","last_name":"Camargo Amado"}],"volume":109,"date_updated":"2023-03-08T08:10:25Z"},{"doi":"10.1039/d1dt02610k","title":"New isoreticular phosphonate MOFs based on a tetratopic linker","date_created":"2021-10-08T09:57:34Z","author":[{"full_name":"Steinke, Felix","last_name":"Steinke","first_name":"Felix"},{"last_name":"Javed","full_name":"Javed, Ali","first_name":"Ali"},{"first_name":"Stephan","full_name":"Wöhlbrandt, Stephan","last_name":"Wöhlbrandt"},{"first_name":"Michael","orcid":"0000-0003-1711-2722","last_name":"Tiemann","id":"23547","full_name":"Tiemann, Michael"},{"last_name":"Stock","full_name":"Stock, Norbert","first_name":"Norbert"}],"date_updated":"2023-03-08T08:08:22Z","page":"13572-13579","citation":{"ama":"Steinke F, Javed A, Wöhlbrandt S, Tiemann M, Stock N. New isoreticular phosphonate MOFs based on a tetratopic linker. <i>Dalton Transactions</i>. Published online 2021:13572-13579. doi:<a href=\"https://doi.org/10.1039/d1dt02610k\">10.1039/d1dt02610k</a>","ieee":"F. Steinke, A. Javed, S. Wöhlbrandt, M. Tiemann, and N. Stock, “New isoreticular phosphonate MOFs based on a tetratopic linker,” <i>Dalton Transactions</i>, pp. 13572–13579, 2021, doi: <a href=\"https://doi.org/10.1039/d1dt02610k\">10.1039/d1dt02610k</a>.","chicago":"Steinke, Felix, Ali Javed, Stephan Wöhlbrandt, Michael Tiemann, and Norbert Stock. “New Isoreticular Phosphonate MOFs Based on a Tetratopic Linker.” <i>Dalton Transactions</i>, 2021, 13572–79. <a href=\"https://doi.org/10.1039/d1dt02610k\">https://doi.org/10.1039/d1dt02610k</a>.","apa":"Steinke, F., Javed, A., Wöhlbrandt, S., Tiemann, M., &#38; Stock, N. (2021). New isoreticular phosphonate MOFs based on a tetratopic linker. <i>Dalton Transactions</i>, 13572–13579. <a href=\"https://doi.org/10.1039/d1dt02610k\">https://doi.org/10.1039/d1dt02610k</a>","bibtex":"@article{Steinke_Javed_Wöhlbrandt_Tiemann_Stock_2021, title={New isoreticular phosphonate MOFs based on a tetratopic linker}, DOI={<a href=\"https://doi.org/10.1039/d1dt02610k\">10.1039/d1dt02610k</a>}, journal={Dalton Transactions}, author={Steinke, Felix and Javed, Ali and Wöhlbrandt, Stephan and Tiemann, Michael and Stock, Norbert}, year={2021}, pages={13572–13579} }","short":"F. Steinke, A. Javed, S. Wöhlbrandt, M. Tiemann, N. Stock, Dalton Transactions (2021) 13572–13579.","mla":"Steinke, Felix, et al. “New Isoreticular Phosphonate MOFs Based on a Tetratopic Linker.” <i>Dalton Transactions</i>, 2021, pp. 13572–79, doi:<a href=\"https://doi.org/10.1039/d1dt02610k\">10.1039/d1dt02610k</a>."},"year":"2021","publication_identifier":{"issn":["1477-9226","1477-9234"]},"quality_controlled":"1","publication_status":"published","language":[{"iso":"eng"}],"article_type":"original","department":[{"_id":"2"},{"_id":"307"}],"user_id":"23547","_id":"25892","status":"public","abstract":[{"lang":"eng","text":"The tetratopic linker 1,1,2,2-tetrakis(4-phosphonophenyl)ethylene (H8TPPE) was used to synthesize the three new porous metal–organic frameworks of composition [M2(H2O)2(H2TPPE)]·xH2O (M = Al3+, Ga3+, Fe3+), denoted as M-CAU-53 under hydrothermal reaction conditions, using the corresponding metal nitrates as starting materials. The crystal structures of the compounds were determined ab initio from powder X-ray diffraction data, revealing small structural differences. Proton conductivity measurements were carried out, indicating different conductivity mechanisms. The differences in proton conductivity could be linked to the individual structures. In addition, a thorough characterization via thermogravimetry, elemental analysis, IR-spectroscopy as well as N2- and H2O-sorption is given."}],"publication":"Dalton Transactions","type":"journal_article"},{"volume":11,"author":[{"first_name":"Christian","full_name":"Wiebeler, Christian","last_name":"Wiebeler"},{"first_name":"Joachim","full_name":"Vollbrecht, Joachim","last_name":"Vollbrecht"},{"first_name":"Adam","last_name":"Neuba","full_name":"Neuba, Adam"},{"last_name":"Kitzerow","full_name":"Kitzerow, Heinz-Siegfried","id":"254","first_name":"Heinz-Siegfried"},{"first_name":"Stefan","orcid":"0000-0003-4042-4951","last_name":"Schumacher","id":"27271","full_name":"Schumacher, Stefan"}],"date_created":"2023-01-24T17:26:16Z","date_updated":"2023-04-20T15:34:34Z","publisher":"Springer Science and Business Media LLC","doi":"10.1038/s41598-021-95551-0","title":"Unraveling the electrochemical and spectroscopic properties of neutral and negatively charged perylene tetraethylesters","issue":"1","publication_identifier":{"issn":["2045-2322"]},"publication_status":"published","intvolume":"        11","citation":{"apa":"Wiebeler, C., Vollbrecht, J., Neuba, A., Kitzerow, H.-S., &#38; Schumacher, S. (2021). Unraveling the electrochemical and spectroscopic properties of neutral and negatively charged perylene tetraethylesters. <i>Scientific Reports</i>, <i>11</i>(1), Article 16097. <a href=\"https://doi.org/10.1038/s41598-021-95551-0\">https://doi.org/10.1038/s41598-021-95551-0</a>","short":"C. Wiebeler, J. Vollbrecht, A. Neuba, H.-S. Kitzerow, S. Schumacher, Scientific Reports 11 (2021).","mla":"Wiebeler, Christian, et al. “Unraveling the Electrochemical and Spectroscopic Properties of Neutral and Negatively Charged Perylene Tetraethylesters.” <i>Scientific Reports</i>, vol. 11, no. 1, 16097, Springer Science and Business Media LLC, 2021, doi:<a href=\"https://doi.org/10.1038/s41598-021-95551-0\">10.1038/s41598-021-95551-0</a>.","bibtex":"@article{Wiebeler_Vollbrecht_Neuba_Kitzerow_Schumacher_2021, title={Unraveling the electrochemical and spectroscopic properties of neutral and negatively charged perylene tetraethylesters}, volume={11}, DOI={<a href=\"https://doi.org/10.1038/s41598-021-95551-0\">10.1038/s41598-021-95551-0</a>}, number={116097}, journal={Scientific Reports}, publisher={Springer Science and Business Media LLC}, author={Wiebeler, Christian and Vollbrecht, Joachim and Neuba, Adam and Kitzerow, Heinz-Siegfried and Schumacher, Stefan}, year={2021} }","chicago":"Wiebeler, Christian, Joachim Vollbrecht, Adam Neuba, Heinz-Siegfried Kitzerow, and Stefan Schumacher. “Unraveling the Electrochemical and Spectroscopic Properties of Neutral and Negatively Charged Perylene Tetraethylesters.” <i>Scientific Reports</i> 11, no. 1 (2021). <a href=\"https://doi.org/10.1038/s41598-021-95551-0\">https://doi.org/10.1038/s41598-021-95551-0</a>.","ieee":"C. Wiebeler, J. Vollbrecht, A. Neuba, H.-S. Kitzerow, and S. Schumacher, “Unraveling the electrochemical and spectroscopic properties of neutral and negatively charged perylene tetraethylesters,” <i>Scientific Reports</i>, vol. 11, no. 1, Art. no. 16097, 2021, doi: <a href=\"https://doi.org/10.1038/s41598-021-95551-0\">10.1038/s41598-021-95551-0</a>.","ama":"Wiebeler C, Vollbrecht J, Neuba A, Kitzerow H-S, Schumacher S. Unraveling the electrochemical and spectroscopic properties of neutral and negatively charged perylene tetraethylesters. <i>Scientific Reports</i>. 2021;11(1). doi:<a href=\"https://doi.org/10.1038/s41598-021-95551-0\">10.1038/s41598-021-95551-0</a>"},"year":"2021","department":[{"_id":"313"},{"_id":"230"},{"_id":"638"},{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"35"}],"user_id":"16199","_id":"39653","language":[{"iso":"eng"}],"keyword":["Multidisciplinary"],"article_number":"16097","publication":"Scientific Reports","type":"journal_article","status":"public","abstract":[{"lang":"eng","text":"<jats:title>Abstract</jats:title><jats:p>A detailed investigation of the energy levels of perylene-3,4,9,10-tetracarboxylic tetraethylester as a representative compound for the whole family of perylene esters was performed. It was revealed via electrochemical measurements that one oxidation and two reductions take place. The bandgaps determined via the electrochemical approach are in good agreement with the optical bandgap obtained from the absorption spectra via a Tauc plot. In addition, absorption spectra in dependence of the electrochemical potential were the basis for extensive quantum-chemical calculations of the neutral, monoanionic, and dianionic molecules. For this purpose, calculations based on density functional theory were compared with post-Hartree–Fock methods and the CAM-B3LYP functional proved to be the most reliable choice for the calculation of absorption spectra. Furthermore, spectral features found experimentally could be reproduced with vibronic calculations and allowed to understand their origins. In particular, the two lowest energy absorption bands of the anion are not caused by absorption of two distinct electronic states, which might have been expected from vertical excitation calculations, but both states exhibit a strong vibronic progression resulting in contributions to both bands.</jats:p>"}]},{"_id":"45001","user_id":"100167","department":[{"_id":"803"}],"language":[{"iso":"eng"}],"extern":"1","type":"journal_article","publication":"Phys. Chem. Chem. Phys.","status":"public","date_updated":"2023-05-16T20:46:48Z","date_created":"2023-05-16T20:22:04Z","author":[{"last_name":"Roos","full_name":"Roos, E.","first_name":"E."},{"first_name":"Martin","last_name":"Brehm","full_name":"Brehm, Martin","id":"100167"}],"volume":23,"title":"A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures","doi":"10.1039/D0CP04537C","year":"2021","citation":{"mla":"Roos, E., and Martin Brehm. “A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures.” <i>Phys. Chem. Chem. Phys.</i>, vol. 23, 2021, pp. 1242–53, doi:<a href=\"https://doi.org/10.1039/D0CP04537C\">10.1039/D0CP04537C</a>.","bibtex":"@article{Roos_Brehm_2021, title={A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures}, volume={23}, DOI={<a href=\"https://doi.org/10.1039/D0CP04537C\">10.1039/D0CP04537C</a>}, journal={Phys. Chem. Chem. Phys.}, author={Roos, E. and Brehm, Martin}, year={2021}, pages={1242–1253} }","short":"E. Roos, M. Brehm, Phys. Chem. Chem. Phys. 23 (2021) 1242–1253.","apa":"Roos, E., &#38; Brehm, M. (2021). A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures. <i>Phys. Chem. Chem. Phys.</i>, <i>23</i>, 1242–1253. <a href=\"https://doi.org/10.1039/D0CP04537C\">https://doi.org/10.1039/D0CP04537C</a>","ama":"Roos E, Brehm M. A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures. <i>Phys Chem Chem Phys</i>. 2021;23:1242-1253. doi:<a href=\"https://doi.org/10.1039/D0CP04537C\">10.1039/D0CP04537C</a>","ieee":"E. Roos and M. Brehm, “A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures,” <i>Phys. Chem. Chem. Phys.</i>, vol. 23, pp. 1242–1253, 2021, doi: <a href=\"https://doi.org/10.1039/D0CP04537C\">10.1039/D0CP04537C</a>.","chicago":"Roos, E., and Martin Brehm. “A Force Field for Bio-Polymers in Ionic Liquids (BILFF) – Part 1: [EMIm][OAc] / Water Mixtures.” <i>Phys. Chem. Chem. Phys.</i> 23 (2021): 1242–53. <a href=\"https://doi.org/10.1039/D0CP04537C\">https://doi.org/10.1039/D0CP04537C</a>."},"intvolume":"        23","page":"1242-1253"},{"department":[{"_id":"803"}],"user_id":"100167","_id":"45004","language":[{"iso":"eng"}],"extern":"1","publication":"Molecules","type":"journal_article","status":"public","volume":"26 (7)","author":[{"full_name":"Brehm, Martin","id":"100167","last_name":"Brehm","first_name":"Martin"},{"first_name":"M.","last_name":"Thomas","full_name":"Thomas, M."}],"date_created":"2023-05-16T20:22:04Z","date_updated":"2023-05-16T20:46:37Z","doi":"10.3390/molecules26071875","title":"Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation of Bulk Phase Simulations","page":"1875","citation":{"apa":"Brehm, M., &#38; Thomas, M. (2021). Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation of Bulk Phase Simulations. <i>Molecules</i>, <i>26 (7)</i>, 1875. <a href=\"https://doi.org/10.3390/molecules26071875\">https://doi.org/10.3390/molecules26071875</a>","bibtex":"@article{Brehm_Thomas_2021, title={Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation of Bulk Phase Simulations}, volume={26 (7)}, DOI={<a href=\"https://doi.org/10.3390/molecules26071875\">10.3390/molecules26071875</a>}, journal={Molecules}, author={Brehm, Martin and Thomas, M.}, year={2021}, pages={1875} }","short":"M. Brehm, M. Thomas, Molecules 26 (7) (2021) 1875.","mla":"Brehm, Martin, and M. Thomas. “Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation of Bulk Phase Simulations.” <i>Molecules</i>, vol. 26 (7), 2021, p. 1875, doi:<a href=\"https://doi.org/10.3390/molecules26071875\">10.3390/molecules26071875</a>.","ama":"Brehm M, Thomas M. 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Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(ii) complexes. <i>Chemical Communications</i>. 2021;57(54):6640-6643. doi:<a href=\"https://doi.org/10.1039/d1cc01716k\">10.1039/d1cc01716k</a>","chicago":"Dierks, Philipp, Ayla Kruse, Olga S. Bokareva, Mohammed J. Al-Marri, Jens Kalmbach, Marc Baltrun, Adam Neuba, et al. “Distinct Photodynamics of κ-N and κ-C Pseudoisomeric Iron(Ii) Complexes.” <i>Chemical Communications</i> 57, no. 54 (2021): 6640–43. <a href=\"https://doi.org/10.1039/d1cc01716k\">https://doi.org/10.1039/d1cc01716k</a>.","ieee":"P. Dierks <i>et al.</i>, “Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(ii) complexes,” <i>Chemical Communications</i>, vol. 57, no. 54, pp. 6640–6643, 2021, doi: <a href=\"https://doi.org/10.1039/d1cc01716k\">10.1039/d1cc01716k</a>.","apa":"Dierks, P., Kruse, A., Bokareva, O. S., Al-Marri, M. J., Kalmbach, J., Baltrun, M., Neuba, A., Schoch, R., Hohloch, S., Heinze, K., Seitz, M., Kühn, O., Lochbrunner, S., &#38; Bauer, M. (2021). Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(ii) complexes. <i>Chemical Communications</i>, <i>57</i>(54), 6640–6643. <a href=\"https://doi.org/10.1039/d1cc01716k\">https://doi.org/10.1039/d1cc01716k</a>","bibtex":"@article{Dierks_Kruse_Bokareva_Al-Marri_Kalmbach_Baltrun_Neuba_Schoch_Hohloch_Heinze_et al._2021, title={Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(ii) complexes}, volume={57}, DOI={<a href=\"https://doi.org/10.1039/d1cc01716k\">10.1039/d1cc01716k</a>}, number={54}, journal={Chemical Communications}, publisher={Royal Society of Chemistry (RSC)}, author={Dierks, Philipp and Kruse, Ayla and Bokareva, Olga S. and Al-Marri, Mohammed J. and Kalmbach, Jens and Baltrun, Marc and Neuba, Adam and Schoch, Roland and Hohloch, Stephan and Heinze, Katja and et al.}, year={2021}, pages={6640–6643} }","short":"P. Dierks, A. Kruse, O.S. Bokareva, M.J. Al-Marri, J. Kalmbach, M. Baltrun, A. Neuba, R. Schoch, S. Hohloch, K. Heinze, M. Seitz, O. Kühn, S. Lochbrunner, M. Bauer, Chemical Communications 57 (2021) 6640–6643.","mla":"Dierks, Philipp, et al. “Distinct Photodynamics of κ-N and κ-C Pseudoisomeric Iron(Ii) Complexes.” <i>Chemical Communications</i>, vol. 57, no. 54, Royal Society of Chemistry (RSC), 2021, pp. 6640–43, doi:<a href=\"https://doi.org/10.1039/d1cc01716k\">10.1039/d1cc01716k</a>."},"intvolume":"        57","page":"6640-6643","publication_status":"published","publication_identifier":{"issn":["1359-7345","1364-548X"]},"issue":"54","article_type":"original","keyword":["Materials Chemistry","Metals and Alloys","Surfaces","Coatings and Films","General Chemistry","Ceramics and Composite","Metallkomplexe","Optical and Magnetic Materials","Catalysis"],"language":[{"iso":"eng"}],"_id":"41007","user_id":"48467","department":[{"_id":"35"},{"_id":"306"}],"abstract":[{"text":"Two closely related FeII complexes with 2,6-bis(1-ethyl-1H-1,2,3-triazol-4yl)pyridine and 2,6-bis(1,2,3-triazol-5-ylidene)pyridine ligands are presented to gain new insights into the photophysics of bis(tridentate) iron(II) complexes. The [Fe(N^N^N)2]2+ pseudoisomer sensitizes singlet oxygen through a MC state with nanosecond lifetime after MLCT excitation, while the bis(tridentate) [Fe(C^N^C)2]2+ pseudoisomer possesses a similar 3MLCT lifetime as the tris(bidentate) [Fe(C^C)2(N^N)]2+ complexes with four mesoionic carbenes.","lang":"eng"}],"status":"public","type":"journal_article","publication":"Chemical Communications"},{"publication_identifier":{"issn":["2637-6105","2637-6105"]},"publication_status":"published","intvolume":"         3","page":"3831-3842","citation":{"ieee":"T. Rust, D. Jung, A. Hoppe, T. Schoppa, K. Langer, and D. 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Backbone-Degradable (Co-)Polymers for Light-Triggered Drug Delivery. <i>ACS Applied Polymer Materials</i>, <i>3</i>(8), 3831–3842. <a href=\"https://doi.org/10.1021/acsapm.1c00411\">https://doi.org/10.1021/acsapm.1c00411</a>"},"date_updated":"2025-04-22T06:12:02Z","volume":3,"author":[{"full_name":"Rust, Tarik","last_name":"Rust","first_name":"Tarik"},{"last_name":"Jung","full_name":"Jung, Dimitri","first_name":"Dimitri"},{"last_name":"Hoppe","id":"62844","full_name":"Hoppe, Axel","first_name":"Axel"},{"first_name":"Timo","last_name":"Schoppa","full_name":"Schoppa, Timo"},{"full_name":"Langer, Klaus","last_name":"Langer","first_name":"Klaus"},{"first_name":"Dirk","last_name":"Kuckling","full_name":"Kuckling, Dirk","id":"287"}],"doi":"10.1021/acsapm.1c00411","main_file_link":[{"url":"https://pubs.acs.org/doi/10.1021/acsapm.1c00411?ref=PDF"}],"type":"journal_article","status":"public","_id":"59620","department":[{"_id":"311"}],"user_id":"62844","article_type":"original","quality_controlled":"1","issue":"8","year":"2021","publisher":"American Chemical Society (ACS)","date_created":"2025-04-22T06:02:11Z","title":"Backbone-Degradable (Co-)Polymers for Light-Triggered Drug Delivery","publication":"ACS Applied Polymer Materials","keyword":["backbone-degradable","light-responsive","redox-responsive","drug delivery","nanoparticles"],"language":[{"iso":"eng"}]},{"status":"public","publication":"The Journal of Adhesion","type":"journal_article","language":[{"iso":"eng"}],"article_type":"original","department":[{"_id":"302"},{"_id":"149"},{"_id":"321"},{"_id":"9"}],"user_id":"15952","_id":"22859","citation":{"apa":"Grothe, R., Striewe, J. 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Enhanced corrosion resistance of adhesive/galvanised steel interfaces by nanocrystalline ZnO thin film deposition and molecular adhesion promoting films. <i>The Journal of Adhesion</i>. Published online 2021. doi:<a href=\"https://doi.org/10.1080/00218464.2021.1957676\">10.1080/00218464.2021.1957676</a>","chicago":"Grothe, Richard, Jan Andre Striewe, Dennis Meinderink, Thomas Tröster, and Guido Grundmeier. “Enhanced Corrosion Resistance of Adhesive/Galvanised Steel Interfaces by Nanocrystalline ZnO Thin Film Deposition and Molecular Adhesion Promoting Films.” <i>The Journal of Adhesion</i>, 2021. <a href=\"https://doi.org/10.1080/00218464.2021.1957676\">https://doi.org/10.1080/00218464.2021.1957676</a>.","ieee":"R. Grothe, J. A. Striewe, D. Meinderink, T. Tröster, and G. Grundmeier, “Enhanced corrosion resistance of adhesive/galvanised steel interfaces by nanocrystalline ZnO thin film deposition and molecular adhesion promoting films,” <i>The Journal of Adhesion</i>, 2021, doi: <a href=\"https://doi.org/10.1080/00218464.2021.1957676\">10.1080/00218464.2021.1957676</a>."},"year":"2021","quality_controlled":"1","doi":"10.1080/00218464.2021.1957676","title":"Enhanced corrosion resistance of adhesive/galvanised steel interfaces by nanocrystalline ZnO thin film deposition and molecular adhesion promoting films","date_created":"2021-07-27T14:37:40Z","author":[{"last_name":"Grothe","full_name":"Grothe, Richard","first_name":"Richard"},{"first_name":"Jan Andre","full_name":"Striewe, Jan Andre","id":"29413","last_name":"Striewe"},{"first_name":"Dennis","orcid":"0000-0002-2755-6514","last_name":"Meinderink","id":"32378","full_name":"Meinderink, Dennis"},{"id":"553","full_name":"Tröster, Thomas","last_name":"Tröster","first_name":"Thomas"},{"full_name":"Grundmeier, Guido","id":"194","last_name":"Grundmeier","first_name":"Guido"}],"date_updated":"2025-06-06T08:15:45Z","publisher":"Taylor & Francis "},{"status":"public","type":"journal_article","publication":"Nachrichten aus der Chemie","keyword":["General Chemical Engineering","General Chemistry"],"language":[{"iso":"eng"}],"_id":"37947","user_id":"89271","department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}],"year":"2021","citation":{"ama":"Paradies J, Andexer J, Beifuss U, et al. Organische Chemie. <i>Nachrichten aus der Chemie</i>. 2021;69(3):38-68. doi:<a href=\"https://doi.org/10.1002/nadc.20214105947\">10.1002/nadc.20214105947</a>","ieee":"J. Paradies <i>et al.</i>, “Organische Chemie,” <i>Nachrichten aus der Chemie</i>, vol. 69, no. 3, pp. 38–68, 2021, doi: <a href=\"https://doi.org/10.1002/nadc.20214105947\">10.1002/nadc.20214105947</a>.","chicago":"Paradies, Jan, Jennifer Andexer, Uwe Beifuss, Florian Beuerle, Malte Brasholz, Rolf Breinbauer, Martin Ernst, et al. “Organische Chemie.” <i>Nachrichten Aus Der Chemie</i> 69, no. 3 (2021): 38–68. <a href=\"https://doi.org/10.1002/nadc.20214105947\">https://doi.org/10.1002/nadc.20214105947</a>.","short":"J. Paradies, J. Andexer, U. Beifuss, F. Beuerle, M. Brasholz, R. Breinbauer, M. Ernst, R. Ganardi, T.A.M. Gulder, W. Hüttel, S. Kath‐Schorr, K. Körber, M. Kordes, M. Lehmann, T. Lindel, B. Luy, C. Mück‐Lichtenfeld, C. Muhle‐Goll, J. Niemeyer, R. Pfau, J. Pietruszka, J.L. Röckl, N. Schaschke, M.O. Senge, B.F. Straub, S.R. Waldvogel, T. Werner, D.B. Werz, C. Winter, Nachrichten Aus Der Chemie 69 (2021) 38–68.","mla":"Paradies, Jan, et al. “Organische Chemie.” <i>Nachrichten Aus Der Chemie</i>, vol. 69, no. 3, Wiley, 2021, pp. 38–68, doi:<a href=\"https://doi.org/10.1002/nadc.20214105947\">10.1002/nadc.20214105947</a>.","bibtex":"@article{Paradies_Andexer_Beifuss_Beuerle_Brasholz_Breinbauer_Ernst_Ganardi_Gulder_Hüttel_et al._2021, title={Organische Chemie}, volume={69}, DOI={<a href=\"https://doi.org/10.1002/nadc.20214105947\">10.1002/nadc.20214105947</a>}, number={3}, journal={Nachrichten aus der Chemie}, publisher={Wiley}, author={Paradies, Jan and Andexer, Jennifer and Beifuss, Uwe and Beuerle, Florian and Brasholz, Malte and Breinbauer, Rolf and Ernst, Martin and Ganardi, Ruth and Gulder, Tobias A. M. and Hüttel, Wolfgang and et al.}, year={2021}, pages={38–68} }","apa":"Paradies, J., Andexer, J., Beifuss, U., Beuerle, F., Brasholz, M., Breinbauer, R., Ernst, M., Ganardi, R., Gulder, T. A. M., Hüttel, W., Kath‐Schorr, S., Körber, K., Kordes, M., Lehmann, M., Lindel, T., Luy, B., Mück‐Lichtenfeld, C., Muhle‐Goll, C., Niemeyer, J., … Winter, C. (2021). Organische Chemie. <i>Nachrichten Aus Der Chemie</i>, <i>69</i>(3), 38–68. <a href=\"https://doi.org/10.1002/nadc.20214105947\">https://doi.org/10.1002/nadc.20214105947</a>"},"intvolume":"        69","page":"38-68","publication_status":"published","publication_identifier":{"issn":["1439-9598","1868-0054"]},"issue":"3","title":"Organische Chemie","doi":"10.1002/nadc.20214105947","publisher":"Wiley","date_updated":"2025-11-10T08:02:44Z","author":[{"first_name":"Jan","full_name":"Paradies, Jan","id":"53339","orcid":"0000-0002-3698-668X","last_name":"Paradies"},{"first_name":"Jennifer","last_name":"Andexer","full_name":"Andexer, Jennifer"},{"last_name":"Beifuss","full_name":"Beifuss, Uwe","first_name":"Uwe"},{"first_name":"Florian","full_name":"Beuerle, Florian","last_name":"Beuerle"},{"first_name":"Malte","last_name":"Brasholz","full_name":"Brasholz, Malte"},{"last_name":"Breinbauer","full_name":"Breinbauer, Rolf","first_name":"Rolf"},{"first_name":"Martin","full_name":"Ernst, Martin","last_name":"Ernst"},{"first_name":"Ruth","last_name":"Ganardi","full_name":"Ganardi, Ruth"},{"last_name":"Gulder","full_name":"Gulder, Tobias A. M.","first_name":"Tobias A. M."},{"full_name":"Hüttel, Wolfgang","last_name":"Hüttel","first_name":"Wolfgang"},{"full_name":"Kath‐Schorr, Stephanie","last_name":"Kath‐Schorr","first_name":"Stephanie"},{"full_name":"Körber, Karsten","last_name":"Körber","first_name":"Karsten"},{"full_name":"Kordes, Markus","last_name":"Kordes","first_name":"Markus"},{"full_name":"Lehmann, Matthias","last_name":"Lehmann","first_name":"Matthias"},{"full_name":"Lindel, Thomas","last_name":"Lindel","first_name":"Thomas"},{"first_name":"Burkhard","last_name":"Luy","full_name":"Luy, Burkhard"},{"full_name":"Mück‐Lichtenfeld, Christian","last_name":"Mück‐Lichtenfeld","first_name":"Christian"},{"first_name":"Claudia","full_name":"Muhle‐Goll, Claudia","last_name":"Muhle‐Goll"},{"last_name":"Niemeyer","full_name":"Niemeyer, Jochen","first_name":"Jochen"},{"full_name":"Pfau, Roland","last_name":"Pfau","first_name":"Roland"},{"last_name":"Pietruszka","full_name":"Pietruszka, Jörg","first_name":"Jörg"},{"last_name":"Röckl","full_name":"Röckl, Johannes L.","first_name":"Johannes L."},{"first_name":"Norbert","last_name":"Schaschke","full_name":"Schaschke, Norbert"},{"full_name":"Senge, Mathias O.","last_name":"Senge","first_name":"Mathias O."},{"last_name":"Straub","full_name":"Straub, Bernd F.","first_name":"Bernd F."},{"first_name":"Siegfried R.","last_name":"Waldvogel","full_name":"Waldvogel, Siegfried R."},{"first_name":"Thomas","last_name":"Werner","orcid":"0000-0001-9025-3244","full_name":"Werner, Thomas","id":"89271"},{"first_name":"Daniel B.","last_name":"Werz","full_name":"Werz, Daniel B."},{"first_name":"Christian","full_name":"Winter, Christian","last_name":"Winter"}],"date_created":"2023-01-22T20:28:35Z","volume":69},{"doi":"10.1002/cssc.202002267","date_updated":"2025-11-10T08:04:27Z","author":[{"last_name":"Hu","full_name":"Hu, Yuya","first_name":"Yuya"},{"first_name":"Zhihong","last_name":"Wei","full_name":"Wei, Zhihong"},{"first_name":"Anna","last_name":"Frey","full_name":"Frey, Anna"},{"last_name":"Kubis","full_name":"Kubis, Christoph","first_name":"Christoph"},{"first_name":"Chang‐Yue","full_name":"Ren, Chang‐Yue","last_name":"Ren"},{"first_name":"Anke","last_name":"Spannenberg","full_name":"Spannenberg, Anke"},{"first_name":"Haijun","last_name":"Jiao","full_name":"Jiao, Haijun"},{"first_name":"Thomas","id":"89271","full_name":"Werner, Thomas","last_name":"Werner","orcid":"0000-0001-9025-3244"}],"volume":14,"citation":{"apa":"Hu, Y., Wei, Z., Frey, A., Kubis, C., Ren, C., Spannenberg, A., Jiao, H., &#38; Werner, T. (2021). Catalytic, Kinetic, and Mechanistic Insights into the Fixation of CO<sub>2</sub> with Epoxides Catalyzed by Phenol‐Functionalized Phosphonium Salts. <i>ChemSusChem</i>, <i>14</i>(1), 363–372. <a href=\"https://doi.org/10.1002/cssc.202002267\">https://doi.org/10.1002/cssc.202002267</a>","bibtex":"@article{Hu_Wei_Frey_Kubis_Ren_Spannenberg_Jiao_Werner_2021, title={Catalytic, Kinetic, and Mechanistic Insights into the Fixation of CO<sub>2</sub> with Epoxides Catalyzed by Phenol‐Functionalized Phosphonium Salts}, volume={14}, DOI={<a href=\"https://doi.org/10.1002/cssc.202002267\">10.1002/cssc.202002267</a>}, number={1}, journal={ChemSusChem}, publisher={Wiley}, author={Hu, Yuya and Wei, Zhihong and Frey, Anna and Kubis, Christoph and Ren, Chang‐Yue and Spannenberg, Anke and Jiao, Haijun and Werner, Thomas}, year={2021}, pages={363–372} }","short":"Y. Hu, Z. Wei, A. Frey, C. Kubis, C. Ren, A. Spannenberg, H. Jiao, T. Werner, ChemSusChem 14 (2021) 363–372.","mla":"Hu, Yuya, et al. “Catalytic, Kinetic, and Mechanistic Insights into the Fixation of CO<sub>2</sub> with Epoxides Catalyzed by Phenol‐Functionalized Phosphonium Salts.” <i>ChemSusChem</i>, vol. 14, no. 1, Wiley, 2021, pp. 363–72, doi:<a href=\"https://doi.org/10.1002/cssc.202002267\">10.1002/cssc.202002267</a>.","ieee":"Y. Hu <i>et al.</i>, “Catalytic, Kinetic, and Mechanistic Insights into the Fixation of CO<sub>2</sub> with Epoxides Catalyzed by Phenol‐Functionalized Phosphonium Salts,” <i>ChemSusChem</i>, vol. 14, no. 1, pp. 363–372, 2021, doi: <a href=\"https://doi.org/10.1002/cssc.202002267\">10.1002/cssc.202002267</a>.","chicago":"Hu, Yuya, Zhihong Wei, Anna Frey, Christoph Kubis, Chang‐Yue Ren, Anke Spannenberg, Haijun Jiao, and Thomas Werner. “Catalytic, Kinetic, and Mechanistic Insights into the Fixation of CO<sub>2</sub> with Epoxides Catalyzed by Phenol‐Functionalized Phosphonium Salts.” <i>ChemSusChem</i> 14, no. 1 (2021): 363–72. <a href=\"https://doi.org/10.1002/cssc.202002267\">https://doi.org/10.1002/cssc.202002267</a>.","ama":"Hu Y, Wei Z, Frey A, et al. Catalytic, Kinetic, and Mechanistic Insights into the Fixation of CO<sub>2</sub> with Epoxides Catalyzed by Phenol‐Functionalized Phosphonium Salts. <i>ChemSusChem</i>. 2021;14(1):363-372. doi:<a href=\"https://doi.org/10.1002/cssc.202002267\">10.1002/cssc.202002267</a>"},"page":"363-372","intvolume":"        14","publication_status":"published","publication_identifier":{"issn":["1864-5631","1864-564X"]},"extern":"1","_id":"37950","user_id":"89271","department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}],"status":"public","type":"journal_article","title":"Catalytic, Kinetic, and Mechanistic Insights into the Fixation of CO<sub>2</sub> with Epoxides Catalyzed by Phenol‐Functionalized Phosphonium Salts","publisher":"Wiley","date_created":"2023-01-22T20:34:17Z","year":"2021","issue":"1","keyword":["T1"],"language":[{"iso":"eng"}],"publication":"ChemSusChem"},{"user_id":"89271","department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}],"_id":"37946","language":[{"iso":"eng"}],"keyword":["T2","T4","CSSD"],"type":"journal_article","publication":"Synthesis","status":"public","abstract":[{"lang":"eng","text":"<jats:title>Abstract</jats:title><jats:p>The facile synthesis of highly functionalized building blocks with potential biological activity is of great interest to medicinal chemistry. The benzoxepinone core structures commonly exhibit biological activity. Thus, a short and efficient synthetic route towards benzoxepine containing scaffold, which enables late stage modification was developed. Namely, base-free catalytic Wittig reactions enabled the synthesis of bromobenzoxepinones from readily available starting materials. Subsequent, Suzuki–Miyaura and Stille reactions proved to be suitable methods to access a variety of benzoxepinone diaryl derivatives by late stage modification in only three steps. This three-step reaction sequence is suitable for high throughput applications and gives facile access to highly complex molecular structures, which are suitable for further functionalization. The antiproliferative properties of selected arylbenzoxepinones­ were tested in vitro on monolayer tumor cell line A549. Notably, in this initial screening, these compounds were found to be active in the micromolar range.</jats:p>"}],"date_created":"2023-01-22T20:27:34Z","author":[{"id":"89271","full_name":"Werner, Thomas","orcid":"0000-0001-9025-3244","last_name":"Werner","first_name":"Thomas"},{"full_name":"Grandane, Aiga","last_name":"Grandane","first_name":"Aiga"},{"last_name":"Pudnika","full_name":"Pudnika, Linda","first_name":"Linda"},{"first_name":"Ilona","full_name":"Domraceva, Ilona","last_name":"Domraceva"},{"first_name":"Raivis","last_name":"Zalubovskis","full_name":"Zalubovskis, Raivis"}],"volume":53,"publisher":"Georg Thieme Verlag KG","date_updated":"2025-11-10T08:47:47Z","doi":"10.1055/a-1509-6078","title":"Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones","issue":"19","publication_status":"published","publication_identifier":{"issn":["0039-7881","1437-210X"]},"citation":{"ama":"Werner T, Grandane A, Pudnika L, Domraceva I, Zalubovskis R. Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones. <i>Synthesis</i>. 2021;53(19):3545-3554. doi:<a href=\"https://doi.org/10.1055/a-1509-6078\">10.1055/a-1509-6078</a>","chicago":"Werner, Thomas, Aiga Grandane, Linda Pudnika, Ilona Domraceva, and Raivis Zalubovskis. “Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones.” <i>Synthesis</i> 53, no. 19 (2021): 3545–54. <a href=\"https://doi.org/10.1055/a-1509-6078\">https://doi.org/10.1055/a-1509-6078</a>.","ieee":"T. Werner, A. Grandane, L. Pudnika, I. Domraceva, and R. Zalubovskis, “Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones,” <i>Synthesis</i>, vol. 53, no. 19, pp. 3545–3554, 2021, doi: <a href=\"https://doi.org/10.1055/a-1509-6078\">10.1055/a-1509-6078</a>.","short":"T. Werner, A. Grandane, L. Pudnika, I. Domraceva, R. Zalubovskis, Synthesis 53 (2021) 3545–3554.","bibtex":"@article{Werner_Grandane_Pudnika_Domraceva_Zalubovskis_2021, title={Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones}, volume={53}, DOI={<a href=\"https://doi.org/10.1055/a-1509-6078\">10.1055/a-1509-6078</a>}, number={19}, journal={Synthesis}, publisher={Georg Thieme Verlag KG}, author={Werner, Thomas and Grandane, Aiga and Pudnika, Linda and Domraceva, Ilona and Zalubovskis, Raivis}, year={2021}, pages={3545–3554} }","mla":"Werner, Thomas, et al. “Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones.” <i>Synthesis</i>, vol. 53, no. 19, Georg Thieme Verlag KG, 2021, pp. 3545–54, doi:<a href=\"https://doi.org/10.1055/a-1509-6078\">10.1055/a-1509-6078</a>.","apa":"Werner, T., Grandane, A., Pudnika, L., Domraceva, I., &#38; Zalubovskis, R. (2021). Base-Free Catalytic Wittig-/Cross-Coupling Reaction Sequence as Short Synthetic Strategy for the Preparation of Highly Functionalized Arylbenzoxepinones. <i>Synthesis</i>, <i>53</i>(19), 3545–3554. <a href=\"https://doi.org/10.1055/a-1509-6078\">https://doi.org/10.1055/a-1509-6078</a>"},"intvolume":"        53","page":"3545-3554","year":"2021"}]