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1. Metal-free photochemical silylations and transfer hydrogenations of benzenoid hydrocarbons and graphene

Author

Raffaello Papadakis, Hu Li, Joakim Bergman, Anna Lundstedt, Kjell Jorner, Rabia Ayub, Soumyajyoti Haldar, Burkhard O. Jahn, Aleksandra Denisova, Burkhard Zietz, Roland Lindh, Biplab Sanyal, Helena Grennberg, Klaus Leifer, and Henrik Ottosson

Subjects
Science
Abstract

Baird’s rules say that the first triplet state of benzene displays antiaromatic character. Here, the authors exploit this to show that aromatic molecules can undergo rapid transfer hydrogenation or silylations without the need for metal catalysts when photochemcially excited into this state.

Published
2016
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2. Rare HCV subtypes and retreatment outcomes in a cohort of European DAA-experienced patients

Author

Antoni, C., Teufel, A., Vogelmann, R., Ebert, M., Balavoine, J., Giostra, E., Berning, M., Hampe, J., Boettler, T., Neumann-Haefelin, C., Thimme, R., De Gottardi, A., Rauch, A., Semmo, N., Ellenrieder, V., Gress, M., Herrmann, A., Stallmach, A., Hoffmann, D., Protzer, U., Kodal, A., Löbermann, M., Götze, T., Keitel-Anselmino, V., Lange, C.M., Zachoval, R., Mayerle, J., Maieron, A., Michl, P., Merle, U., Moradpour, D., Chave, J.-P., Muche, M., Epple, H.-J., Müller-Schilling, M., Kocheise, F., Müller, T., Tacke, F., Roeb, E., Rissland, J., Krawczyk, M., Schulze, P., Semela, D., Spengler, U., Rockstroh, J., Strassburg, C.P., Siebler, J., Schulze zur Wiesch, J., Piecha, F., von Felden, J., Jordan, S., Lohse, A., Sprinzl, M., Galle, P., Stauber, R., Strey, B., Steckstor, W., Schmiegel, W., Brockmeyer, N.H., Canbay, A., Trautwein, C., Uschner, F., Trebicka, J., Weber, T., Wedemeyer, H., Cornberg, M., Manns, M., Wietzke-Braun, P., Günther, R., Willuweit, K., Hilgard, G., Schmidt, H., Zizer, E., Backhus, J., Seufferlein, T., Al-Taie, O., Angeli, W., Beckebaum, S., Erhardt, A., Garrido-Lüneburg, A., Gattringer, H., Genné, D., Gschwantler, M., Gundling, F., Hametner, S., Schöfl, R., Haag, S., Heinzow, H., Heyer, T., Hirschi, C., Jussios, A., Kanzler, S., Kordecki, N., Kraus, M., Kullig, U., Wollschläger, S., Magenta, L., Beretta-Piccoli, B. Terziroli, Menges, M., Mohr, L., Muehlenberg, K., Niederau, C., Paulweber, B., Petrides, A., Pinkernell, M., Piso, R., Rambach, W., Reinhardt, L., Reiser, M., Riecken, B., Rieke, A., Roth, J., Schelling, M., Schlee, P., Schneider, A., Scholz, D., Schott, E., Schuchmann, M., Schulten-Baumer, U., Seelhoff, A., Stich, A., Stickel, F., Ungemach, J., Walter, E., Weber, A., Wege, H., Winzer, T., Abels, W., Adler, M., Audebert, F., Baermann, C., Bästlein, E., Barth, R., Barthel, K., Becker, W., Behrends, J., Benninger, J., Berger, F., Berzow, D., Beyer, T., Bierbaum, M., Blaukat, O., Bodtländer, A., Böhm, G., Börner, N., Bohr, U., Bokemeyer, B., Bruch, H.R., Bucholz, D., Buggisch, P., Matschenz, K., Petersen, J., Burkhard, O., Busch, N., Chirca, C., Delker, R., Diedrich, J., Frank, M., Diehl, M., Tal, A.O., Schneider, M., Dienethal, A., Dietel, P., Dikopoulos, N., Dreck, M., Dreher, F., Drude, L., Ende, K., Ehrle, U., Baumgartl, K., Emke, F., Glosemeyer, R., Felten, G., Hüppe, D., Fischer, J., Fischer, U., Frederking, D., Frick, B., Friese, G., Gantke, B., Geyer, P., Schwind, H.R., Glas, M., Glaunsinger, T., Goebel, F., Göbel, U., Görlitz, B., Graf, R., Gruber, H., Hartmann, C., Klag, C., Härter, G., Herder, M., Heuchel, T., Heuer, S., Hinrichsen, H., Seegers, B., Höffl, K.-H., Hörster, H., Sonne, J.-U., Hofmann, W.P., Holst, F., Hunstiger, M., Hurst, A., Jägel-Guedes, E., John, C., Jung, M., Kallinowski, B., Kapzan, B., Kerzel, W., Khaykin, P., Klarhof, M., Klüppelberg, U., Wolfratshausen, Klugewitz, K., Knapp, B., Knevels, U., Kochsiek, T., Körfer, A., Köster, A., Kuhn, M., Langekamp, A., Künzig, B., Link, R., Littman, M., Löhr, H., Lutz, T., Gute, P., Knecht, G., Lutz, U., Mainz, D., Mahle, I., Maurer, P., Mauss, S., Mayer, C., Möller, H., Heyne, R., Moritzen, D., Mroß, M., Mundlos, M., Naumann, U., Nehls, O., K, Ningel, R., Oelmann, A., Olejnik, H., Gadow, K., Pascher, E., Philipp, A., Pichler, M., Polzien, F., Raddant, R., Riedel, M., Rietzler, S., Rössle, M., Rufle, W., Rump, A., Schewe, C., Hoffmann, C., Schleehauf, D., Schmidt, W., Schmidt-Heinevetter, G., Fabris, J. Schmidtler-von, Schneider, L., Schober, A., Niehaus-Hahn, S., Schwenzer, J., Seidel, T., Seitel, G., Sick, C., Simon, K., Stähler, D., Stenschke, F., Steffens, H., Stein, K., Steinmüller, M., Sternfeld, T., Svensson, K., Tacke, W., Teuber, G., Teubner, K., Thieringer, J., Tomesch, A., Trappe, U., Ullrich, J., Urban, G., Usadel, S., von Lucadou, A., Weinberger, F., Werheid-Dobers, M., Werner, P., Winter, T., Zehnter, E., Zipf, A., Dietz, Julia, Graf, Christiana, Berg, Christoph P., Port, Kerstin, Deterding, Katja, Buggisch, Peter, Peiffer, Kai-Henrik, Vermehren, Johannes, Dultz, Georg, Geier, Andreas, Reiter, Florian P., Bruns, Tony, Schattenberg, Jörn M., Durmashkina, Elena, Gustot, Thierry, Moreno, Christophe, Trauth, Janina, Discher, Thomas, Fischer, Janett, Berg, Thomas, Kremer, Andreas E., Müllhaupt, Beat, Zeuzem, Stefan, and Sarrazin, Christoph

Published
2024
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3. Long-term persistence of HCV resistance-associated substitutions after DAA treatment failure

Author

Balavoine, J., Giostra, E., Berning, M., Hampe, J., Canbay, A., Steckstor, W., Schmiegel, W., Brockmeyer, N.H., De Gottardi, A., Rauch, A., Semmo, N., Fischer, J., Gress, M., Heinzow, H., Hilgard, G., Schmidt, H., Herrmann, A., Stallmach, A., Hoffmann, D., Protzer, U., Klinker, H., Schulze, P., Kodal, A., Kremer, A., Siebler, J., Löbermann, M., Götze, T., Weigt, J., Lohse, A., Von Felden, J., Jordan, S., Lange, C.M., Zachoval, R., Mayerle, J., Maieron, A., Moradpour, D., Chave, J.-P., Moreno, C., Muche, M., Epple, H.-J., Müller-Schilling, M., Kocheise, F., Müllhaupt, B., Port, K., Deterding, K., Wedemeyer, H., Cornberg, M., Manns, M., Reinhardt, L., Ellenrieder, V., Rissland, J., Semela, D., Spengler, U., Rockstroh, J., Roeb, E., Sprinzl, M., Galle, P., Stauber, R., Stremmel, W., Strey, B., Thimme, R., Boettler, T., Tacke, F., Teufel, A., Vogelmann, R., Ebert, M., Tomasiewicz, K., Trautwein, C., Koenen, T., Weber, T., Wietzke-Braun, P., Günther, R., Zizer, E., Backhus, J., Seufferlein, T., Angeli, W., Beckebaum, S., Doberauer, C., Durmashkina, E., Hackelsberger, A., Erhardt, A., Garrido-Lüneburg, A., Gattringer, H., Genné, D., Gschwantler, M., Gundling, F., Hametner, S., Schöfl, R., Hartmann, C., Heyer, T., Hirschi, C., Jussios, A., Kanzler, S., Kordecki, N., Kraus, M., Kullig, U., Wollschläger, S., Magenta, L., Terziroli Beretta-Piccoli, B., Menges, M., Mohr, L., Muehlenberg, K., Niederau, C., Paulweber, B., Petrides, A., Pinkernell, M., Piso, R., Rambach, W., Reiser, M., Riecken, B., Rieke, A., Roth, J., Schelling, M., Schlee, P., Schneider, A., Scholz, D., Schott, E., Schuchmann, M., Schulten-Baumer, U., Seelhoff, A., Stich, A., Stickel, F., Ungemach, J., Walter, E., Weber, A., Winzer, T., Abels, W., Adler, M., Audebert, F., Baermann, C., Bästlein, E., Barth, R., Barthel, K., Becker, W., Behrends, J., Benninger, J., Berger, F., Berzow, D., Beyer, T., Bierbaum, M., Blaukat, O., Bodtländer, A., Böhm, G., Börner, N., Bohr, U., Bokemeyer, B., Bruch, H.R., Bucholz, D., Burkhard, O., Busch, N., Chirca, C., Delker, R., Diedrich, J., Frank, M., Diehl, M., Dienethal, A., Dietel, P., Dikopoulos, N., Dreck, M., Dreher, F., Drude, L., Ende, K., Ehrle, U., Baumgartl, K., Emke, F., Glosemeyer, R., Felten, G., Hüppe, D., Fischer, U., Frederking, D., Frick, B., Friese, G., Gantke, B., Geyer, P., Schwind, H.R., Glas, M., Glaunsinger, T., Goebel, F., Göbel, U., Görlitz, B., Graf, R., Gruber, H., Härter, G., Herder, M., Heuchel, T., Heuer, S., Höffl, K.-H., Hörster, H., Sonne, J.-U., Hofmann, W.P., Holst, F., Hunstiger, M., Hurst, A., Jägel-Guedes, E., John, C., Jung, M., Kallinowski, B., Kapzan, B., Kerzel, W., Khaykin, P., Klarhof, M., Klüppelberg, U., Wolfratshausen, Klugewitz, K., Knapp, B., Knevels, U., Kochsiek, T., Körfer, A., Köster, A., Kuhn, M., Langekamp, A., Künzig, B., Link, R., Littman, M., Löhr, H., Lutz, T., Knecht, G., Lutz, U., Mainz, D., Mahle, I., Maurer, P., Mayer, C., Meister, V., Möller, H., Heyne, R., Moritzen, D., Mroß, M., Mundlos, M., Naumann, U., Nehls, O., Ningel, K.R., Oelmann, A., Olejnik, H., Gadow, K., Pascher, E., Petersen, J., Philipp, A., Pichler, M., Polzien, F., Raddant, R., Riedel, M., Rietzler, S., Rössle, M., Rufle, W., Rump, A., Schewe, C., Hoffmann, C., Schleehauf, D., Schmidt, W., Schmidt-Heinevetter, G., Schmidtler-von Fabris, J., Schneider, L., Schober, A., Niehaus-Hahn, S., Schwenzer, J., Seegers, B., Seidel, T., Seitel, G., Sick, C., Simon, K., Stähler, D., Stenschke, F., Steffens, H., Stein, K., Steinmüller, M., Sternfeld, T., Svensson, K., Tacke, W., Teuber, G., Teubner, K., Thieringer, J., Tomesch, A., Trappe, U., Ullrich, J., Urban, G., Usadel, S., Von Lucadou, A., Weinberger, F., Werheid-Dobers, M., Werner, P., Winter, T., Zehnter, E., Zipf, A., Dietz, Julia, Müllhaupt, Beat, Buggisch, Peter, Graf, Christiana, Peiffer, Kai-Henrik, Matschenz, Katrin, Schattenberg, Jörn M., Antoni, Christoph, Mauss, Stefan, Niederau, Claus, Discher, Thomas, Trauth, Janina, Dultz, Georg, Schulze zur Wiesch, Julian, Piecha, Felix, Klinker, Hartwig, Müller, Tobias, Berg, Thomas, Neumann-Haefelin, Christoph, Berg, Christoph P., Zeuzem, Stefan, and Sarrazin, Christoph

Published
2023
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4. Efficacy of Retreatment After Failed Direct-acting Antiviral Therapy in Patients With HCV Genotype 1–3 Infections

Author

Balavoine, J., Giostra, E., Berning, M., Hampe, J., De Gottardi, A., Rauch, A., Semmo, N., Discher, T., Trauth, J., Fischer, J., Gress, M., Günther, R., Heinzow, H., Schmidt, J., Herrmann, A., Stallmach, A., Hilgard, G., Deterding, K., Lange, C.M., Ciesek, S., Wedemeyer, H., Hoffmann, D., Klinker, H., Schulze, P., Kocheise, F., Müller-Schilling, M., Kodal, A., Kremer, A., Ganslmayer, M., Siebler, J., Lammert, F., Rissland, J., Löbermann, M., Götze, T., Canbay, A., Lohse, A., von Felden, J., Jordan, S., Maieron, A., Moradpour, D., Chave, J.-P., Moreno, C., Müller, T., Muche, M., Epple, H.-J., Port, K., von Hahn, T., Cornberg, M., Manns, M., Reinhardt, L., Ellenrieder, V., Rockstroh, J., Schattenberg, J., Sprinzl, M., Galle, P., Roeb, E., Steckstor, M., Schmiegel, W., Brockmeyer, N.H., Seufferlein, T., Stremmel, W., Strey, B., Thimme, R., Teufel, A., Vogelmann, R., Ebert, M., Tomasiewicz, K., Trautwein, C., Tacke, F., Koenen, T., Weber, T., Zachoval, R., Mayerle, J., Raziorrouh, B., Angeli, W., Beckebaum, S., Doberauer, C., Durmashkina, E., Hackelsberger, A., Erhardt, A., Garrido-Lüneburg, A., Gattringer, H., Genné, D., Gschwantler, M., Gundling, F., Hametner, S., Schöfl, R., Hartmann, C., Heyer, T., Hirschi, C., Jussios, A., Kanzler, S., Kordecki, N., Kraus, M., Kullig, U., Wollschläger, S., Magenta, L., Beretta-Piccoli, B. Terziroli, Menges, M., Mohr, L., Muehlenberg, K., Niederau, C., Paulweber, B., Petrides, A., Pinkernell, M., Piso, R., Rambach, W., Reiser, M., Riecken, B., Rieke, A., Roth, J., Schelling, M., Schlee, P., Schneider, A., Scholz, D., Schott, E., Schuchmann, M., Schulten-Baumer, U., Seelhoff, A., Stich, A., Stickel, F., Ungemach, J., Walter, E., Weber, A., Winzer, T., Abels, W., Adler, M., Audebert, F., Baermann, C., Bästlein, E., Barth, R., Barthel, K., Becker, W., Behrends, J., Benninger, J., Berger, F., Berzow, D., Beyer, T., Bierbaum, M., Blaukat, O., Bodtländer, A., Böhm, G., Börner, N., Bohr, U., Bokemeyer, B., Bruch, H.R., Bucholz, D., Burkhard, O., Busch, N., Chirca, C., Delker, R., Diedrich, J., Frank, M., Diehl, M., Dienethal, A., Dietel, P., Dikopoulos, N., Dreck, M., Dreher, F., Drude, L., Ende, K., Ehrle, U., Baumgartl, K., Emke, F., Glosemeyer, R., Felten, G., Hüppe, D., Fischer, U., Frederking, D., Frick, B., Friese, G., Gantke, B., Geyer, P., Schwind, H.R., Glas, M., Glaunsinger, T., Goebel, F., Göbel, U., Görlitz, B., Graf, R., Gruber, H., Härter, G., Herder, M., Heuchel, T., Heuer, S., Höffl, K.-H., Hörster, H., Sonne, J.-U., Hofmann, W.P., Holst, F., Hunstiger, M., Hurst, A., Jägel-Guedes, E., John, C., Jung, M., Kallinowski, B., Kapzan, B., Kerzel, W., Khaykin, P., Klarhof, M., Klüppelberg, U., Klugewitz, K., Knapp, B., Knevels, U., Kochsiek, T., Körfer, A., Köster, A., Kuhn, M., Langekamp, A., Künzig, B., Link, R., Littman, M., Löhr, H., Lutz, T., Knecht, G., Lutz, U., Mainz, D., Mahle, I., Maurer, P., Mayer, C., Meister, V., Möller, H., Heyne, R., Moritzen, D., Mroß, M., Mundlos, M., Naumann, U., Nehls, O., Ningel, K.&R., Oelmann, A., Olejnik, H., Gadow, K., Pascher, E., Petersen, J., Philipp, A., Pichler, M., Polzien, F., Raddant, R., Riedel, M., Rietzler, S., Rössle, M., Rufle, W., Rump, A., Schewe, C., Hoffmann, C., Schleehauf, D., Schmidt, K.J., Schmidt, W., Schmidt-Heinevetter, G., Schmidtler-von Fabris, J., Schnaitmann, E., Schneider, L., Schober, A., Niehaus-Hahn, S., Schwenzer, J., Seidel, T., Seitel, G., Sick, C., Simon, K.G., Stähler, D., Stenschke, F., Steffens, H., Stein, K., Steinmüller, M., Sternfeld, T., Svensson, K., Tacke, W., Teuber, G., Teubner, K., Thieringer, J., Tomesch, A., Trappe, U., Ullrich, J., Urban, G., Usadel, S., von Lucadou, A., Weinberger, F., Werheid-Dobers, M., Werner, P., Winter, T., Zehnter, E., Zipf, A., Dietz, Julia, Spengler, Ulrich, Müllhaupt, Beat, Schulze zur Wiesch, Julian, Piecha, Felix, Mauss, Stefan, Seegers, Barbara, Hinrichsen, Holger, Antoni, Christoph, Wietzke-Braun, Perdita, Peiffer, Kai-Henrik, Berger, Annemarie, Matschenz, Katrin, Buggisch, Peter, Backhus, Johanna, Zizer, Eugen, Boettler, Tobias, Neumann-Haefelin, Christoph, Semela, David, Stauber, Rudolf, Berg, Thomas, Berg, Christoph, Zeuzem, Stefan, Vermehren, Johannes, and Sarrazin, Christoph

Published
2021
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6. Patterns of Resistance-Associated Substitutions in Patients With Chronic HCV Infection Following Treatment With Direct-Acting Antivirals

Author

Antoni, C., Vogelmann, R., Ebert, M., Backhus, J., Seufferlein, T., Balavoine, J., Giostra, E., Berg, C., Cornberg, M., Wedemeyer, H., Manns, M., De Gottardi, A., Esteban, R., Discher, T., Roeb, E., Gress, M., Günther, R., Wietzke-Braun, P., Herrmann, A., Stallmach, A., Hoffmann, D., Klinker, H., Kodal, A., Lammert, F., Löbermann, M., Schulze zur Wiesch, J., von Felden, J., Piecha, F., Lohse, A., Götze, T., Malfertheiner, P., Mayerle, J., Moradpour, D., Moreno, C., Neumann-Haefelin, C., Thimme, R., Reinhardt, L., Ellenrieder, V., Schattenberg, J., Sprinzl, M., Galle, P., Schmidt, J., Schott, E., Epple, H.-J., Siebler, J., Stauber, R., Steckstor, M., Schmiegel, W., Stremmel, W., Strey, B., Tomasiewicz, K., Trautwein, C., Zachoval, R., Angeli, W., Beckebaum, S., Doberauer, C., Ende, K., Erhardt, A., Garrido-Lüneburg, A., Gattringer, H., Genné, D., Gschwantler, M., Gundling, F., Hartmann, C., Heyer, T., Hirschi, C., Kanzler, S., Kordecki, N., Kraus, M., Kullig, U., Magenta, L., Terziroli Beretta-Piccoli, B., Menges, M., Mohr, L., Muehlenberg, K., Niederau, C., Paulweber, B., Petrides, A., Piso, R., Rambach, W., Reiser, M., Riecken, B., Roth, J., Schöfl, R., Maieron, A., Schneider, A., Schuchmann, M., Schulten-Baumer, U., Seelhoff, A., Semela, D., Stich, A., Vollmer, C., Brückner, J., Ungemach, J., Walter, E., Weber, A., Winzer, T., Abels, W., Adler, M., Audebert, F., Baermann, C., Bästlein, E., Barth, R., Barthel, K., Baumgartl, K., Becker, W., Benninger, J., Beyer, T., Bodtländer, A., Böhm, G., Bohr, U., Moll, A., Naumann, U., Börner, N., Bruch, H.R., Busch, N., Burkhard, O., Chirca, C., Dienethal, A., Dietel, P., Dreher, F., Efken, P., Ehrle, U., Emke, F., Fischer, J., Fischer, U., Frederking, D., Frick, B., Gantke B, B., Geyer, P., Glaunsinger, T., Goebel, F., Göbel, U., Graf, R., Herder, M., Heuchel, T., Heuer, S., Heyne, R., Höffl, K.H., Hofmann, W.P., Holst, F., Hörster, H., John, C., Jung, M.C., Kallinowski, B., Kerzel, W., Khaykin, P., Klarhof, M., Knapp, B., Knevels, U., Körfer, A., Köster, A., Künzig, B., Langenkamp, A., Kuhn, M., Littman, M., Löhr, H., Ludwig, L., Lutz, U., Maurer, P., Mayer, C., Meister, V., Moritzen, D., Mroß, M., Mundlos, M., Nehls, O., Ningel, K., Oelmann, A., Olejnik, H., Pascher, E., Philipp, A., Pichler, M., Polzien, F., Raddant, R., Riedel, M., Rietzler, S., Rump, A., Schmidt, W., Schmidtler-von Fabris, J., Schneider, L., Schober, A., Schwenzer, J., Seidel, T., Seitel, G., Sick, C., Simon, K., Stähler, D., Steffens, H., Svensson, K., Tacke, W., Teubner, K., Thieringer, J., Trappe, U., Ullrich, J., Usadel, S., von Lucadou, A., Werheid-Dobers, M., Zehnter, E., Zipf, A., Dietz, Julia, Susser, Simone, Vermehren, Johannes, Peiffer, Kai-Henrik, Grammatikos, Georgios, Berger, Annemarie, Ferenci, Peter, Buti, Maria, Müllhaupt, Beat, Hunyady, Bela, Hinrichsen, Holger, Mauss, Stefan, Petersen, Jörg, Buggisch, Peter, Felten, Gisela, Hüppe, Dietrich, Knecht, Gaby, Lutz, Thomas, Schott, Eckart, Berg, Christoph, Spengler, Ulrich, von Hahn, Thomas, Berg, Thomas, Zeuzem, Stefan, and Sarrazin, Christoph

Published
2018
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9. The Carbonic Anhydrase as a Paragon: Theoretical and Experimental Investigation of Biomimetic Zinc-Catalyzed Activation of Cumulenes

Author

Ernst Anders, Burkhard O. Jahn, and Wilhelm A. Eger

Subjects
chemistry.chemical_classification, chemistry.chemical_compound, Enzyme, chemistry, Biochemistry, Allene, Cumulene, Biochemical engineering, Biomimetics, Chemical reaction, Small molecule, Organism, Catalysis
Abstract

Biomimetics as an interdisciplinary concept involves learning from and imitating of nature using appropriate models. The mimicry of biological models does not only consist of the construction of engineering systems and modern technology, furthermore, it is able to be a guide for designing and architecturing in the complete range of natural sciences. In particular, the actual development of novel and uncommon chemical reactions is aimed to apply high optimized, biochemical processes to laboratory and industrially usable syntheses. Especially enzymes stand in the visual focus as highly efficient and almost extreme specialized catalysts, as nature has had a long time to develop and optimize a wide diversity of life. Nearly every organism owns different tissues, motion types, sensoring functions and surviving instincts and the basis for all of these properties are highly efficient catalyzed chemical reactions. Organisms have not only to synthesize huge biopolymers for growth, but also to provide small molecules for signal transduction, energy transfers or regulation processes. Therefore, it is obvious that the study of those reactions not only gives insights in important biochemical processes, but also suggests new chemical pathways to use in synthesis or other related appliances. The possibilities of biomimetics in chemistry are outlined on the basis of the enzyme carbonic anhydrase. As this enzyme is one of the most efficient catalysts originated by nature, the investigation of such a catalytical active protein enriches not only the knowledge of biological and biochemical mechanisms and their mode of action, but also gives detailed information about the active center inside of the enzyme. In that way, one can fathom out important factors for the growth and development as well as for the investigation of diseases and glitches. In this chapter we describe the enzymatic metal mediated reaction of the cumulene system carbon dioxide with water and its extention to the bio-analogue activation of further isoelectronic cumulenes (carbonyl sulfide, isothiocyanate and allene).

Published
2021

11. Same data, different conclusions: Radical dispersion in empirical results when independent analysts operationalize and test the same hypothesis

Author

Schweinsberg, M., Feldman, M., Staub, N., van den Akker, O.R., van Aert, R.C.M., van Assen, M.A.L.M., Liu, Y., Althoff, T., Heer, J., Kale, A., Mohamed, Z., Amireh, H., Venkatesh Prasad, V., Bernstein, A., Robinson, E., Snellman, K., Sommer, S.A., Otner, S.M.G., Robinson, D.A., Madan, N., Silberzahn, R., Goldstein, P., Tierney, W., Murase, T., Mandl, B., Viganola, D., Strobl, C., Schaumans, C.B.C., Kelchtermans, S., Naseeb, C., Mason Garrison, S., Yarkoni, T., Richard Chan, C. S., Adie, P., Alaburda, P., Albers, C., Alspaugh, S., Alstott, J., Nelson, A.A., Ariño de la Rubia, E., Arzi, A., Bahník, Š., Baik, J., Winther Balling, L., Banker, S., Baranger, D.A.A., Barr, D.J., Barros-Rivera, B., Bauer, M., Blaise, E., Boelen, L., Bohle Carbonell, K., Briers, R.A., Burkhard, O., Canela, M.A., Castrillo, L., Catlett, T., Chen, O., Clark, M., Cohn, B., Coppock, A., Cugueró-Escofet, N., Curran, P.G., Cyrus-Lai, W., Dai, D., Valentino Dalla Riva, G., Danielsson, H., Russo, R.d.F.S.M., de Silva, N., Derungs, C., Dondelinger, F., Duarte de Souza, C., Tyson Dube, B., Dubova, M., Dunn, B.M., Edelsbrunner, P.A., Finley, S., Fox, N., Gnambs, T., Gong, Y., Grand, E., Greenawalt, B., Han, D., Hanel, P.H.P., Hong, A.B., Hood, D., Hsueh, J., Huang, L., Hui, K.N., Hultman, K.A., Javaid, A., Ji Jiang, L., Jong, J., Kamdar, J., Kane, D., Kappler, G., Kaszubowski, E., Kavanagh, C.M., Khabsa, M., Kleinberg, B., Kouros, J., Krause, H., Krypotos, A.M., Lavbič, D., Ling Lee, R., Leffel, T., Yang Lim, W., Liverani, S., Loh, B., Lønsmann, D., Wei Low, J., Lu, A., MacDonald, K., Madan, C.R., Hjorth Madsen, L., Maimone, C., Mangold, A., Marshall, A., Matskewich, H.E., Mavon, K., McLain, K.L., McNamara, A.A., McNeill, M., Mertens, U., Miller, D., Moore, B., Moore, A., Nantz, E., Nasrullah, Z., Nejkovic, V., Nell, C.S., Nilsonne, G., Nolan, R., O'Brien, C.E., O'Neill, P., O'Shea, K., Olita, T., Otterbacher, J., Palsetia, D., Pereira, B., Pozdniakov, I., Protzko, J., Reyt, J.N., Riddle, T., (Akmal) Ridhwan Omar Ali, A., Ropovik, I., Rosenberg, J.M., Rothen, S., Schulte-Mecklenbeck, M., Sharma, N., Shotwell, G., Skarzynski, M., Stedden, W., Stodden, V., Stoffel, M.A., Stoltzman, S., Subbaiah, S., Tatman, R., Thibodeau, P.H., Tomkins, S., Valdivia, A., Druijff-van de Woestijne, G.B., Viana, L., Villesèche, F., Wadsworth, W.D., Wanders, F., Watts, K., Wells, J.D., Whelpley, C.E., Won, A., Wu, L., Yip, A., Youngflesh, C., Yu, J.C., Zandian, A., Zhang, L., Zibman, C., Uhlmann, E.L., Social Networks, Solidarity and Inequality, Leerstoel Buskens, Structural geology and EM, Experimental psychopathology, Leerstoel Engelhard, Department of Methodology and Statistics, Tilburg Experience Sampling Center (TESC), University of Zurich, Schweinsberg, Martin, Psychometrics and Statistics, Social Networks, Solidarity and Inequality, Leerstoel Buskens, Structural geology and EM, Experimental psychopathology, and Leerstoel Engelhard

Subjects
Organizational Behavior and Human Resource Management, TRANSPARENCY, 10009 Department of Informatics, Sample (statistics), 000 Computer science, knowledge & systems, 1407 Organizational Behavior and Human Resource Management, Scientific robustness, 3202 Applied Psychology, Scientific transparency, REPRODUCIBILITY, 650 Management & public relations, medicine, Econometrics, MANAGEMENT, QUALITY, business, Robustness (economics), Research question, Verbosity, CRISIS, Applied Psychology, Analysis-contingent results, Operationalization, Psykologi (exklusive tillämpad psykologi), 11476 Digital Society Initiative, AVAILABILITY, Researcher degrees of freedom, SCIENCE, cs_r, SOCIAL-PSYCHOLOGY, Crowdsourcing data analysis, Research reliability, Psychology (excluding Applied Psychology), Open data, Ranking, Transparency (graphic), REPLICABILITY, REPLICATION, medicine.symptom, Psychology
Abstract

The project was funded by a research grant from INSEAD and was also supported by the Swiss National Science Foundation under grant number 143411., In this crowdsourced initiative, independent analysts used the same dataset to test two hypotheses regarding the effects of scientists’ gender and professional status on verbosity during group meetings. Not only the analytic approach but also the operationalizations of key variables were left unconstrained and up to individual analysts. For instance, analysts could choose to operationalize status as job title, institutional ranking, citation counts, or some combination. To maximize transparency regarding the process by which analytic choices are made, the analysts used a platform we developed called DataExplained to justify both preferred and rejected analytic paths in real time. Analyses lacking sufficient detail, reproducible code, or with statistical errors were excluded, resulting in 29 analyses in the final sample. Researchers reported radically different analyses and dispersed empirical outcomes, in a number of cases obtaining significant effects in opposite directions for the same research question. A Boba multiverse analysis demonstrates that decisions about how to operationalize variables explain variability in outcomes above and beyond statistical choices (e.g., covariates). Subjective researcher decisions play a critical role in driving the reported empirical results, underscoring the need for open data, systematic robustness checks, and transparency regarding both analytic paths taken and not taken. Implications for organizations and leaders, whose decision making relies in part on scientific findings, consulting reports, and internal analyses by data scientists, are discussed., INSEAD, Swiss National Science Foundation (SNSF) European Commission 143411

Published
2021
Full Text
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12. Same data, different conclusions: Radical dispersion in empirical results when independent analysts operationalize and test the same hypothesis

Author

Social Networks, Solidarity and Inequality, Leerstoel Buskens, Structural geology and EM, Experimental psychopathology, Leerstoel Engelhard, Schweinsberg, M., Feldman, M., Staub, N., van den Akker, O.R., van Aert, R.C.M., van Assen, M.A.L.M., Liu, Y., Althoff, T., Heer, J., Kale, A., Mohamed, Z., Amireh, H., Venkatesh Prasad, V., Bernstein, A., Robinson, E., Snellman, K., Sommer, S.A., Otner, S.M.G., Robinson, D.A., Madan, N., Silberzahn, R., Goldstein, P., Tierney, W., Murase, T., Mandl, B., Viganola, D., Strobl, C., Schaumans, C.B.C., Kelchtermans, S., Naseeb, C., Mason Garrison, S., Yarkoni, T., Richard Chan, C. S., Adie, P., Alaburda, P., Albers, C., Alspaugh, S., Alstott, J., Nelson, A.A., Ariño de la Rubia, E., Arzi, A., Bahník, Š., Baik, J., Winther Balling, L., Banker, S., Baranger, D.A.A., Barr, D.J., Barros-Rivera, B., Bauer, M., Blaise, E., Boelen, L., Bohle Carbonell, K., Briers, R.A., Burkhard, O., Canela, M.A., Castrillo, L., Catlett, T., Chen, O., Clark, M., Cohn, B., Coppock, A., Cugueró-Escofet, N., Curran, P.G., Cyrus-Lai, W., Dai, D., Valentino Dalla Riva, G., Danielsson, H., Russo, R.d.F.S.M., de Silva, N., Derungs, C., Dondelinger, F., Duarte de Souza, C., Tyson Dube, B., Dubova, M., Dunn, B.M., Edelsbrunner, P.A., Finley, S., Fox, N., Gnambs, T., Gong, Y., Grand, E., Greenawalt, B., Han, D., Hanel, P.H.P., Hong, A.B., Hood, D., Hsueh, J., Huang, L., Hui, K.N., Hultman, K.A., Javaid, A., Ji Jiang, L., Jong, J., Kamdar, J., Kane, D., Kappler, G., Kaszubowski, E., Kavanagh, C.M., Khabsa, M., Kleinberg, B., Kouros, J., Krause, H., Krypotos, A.M., Lavbič, D., Ling Lee, R., Leffel, T., Yang Lim, W., Liverani, S., Loh, B., Lønsmann, D., Wei Low, J., Lu, A., MacDonald, K., Madan, C.R., Hjorth Madsen, L., Maimone, C., Mangold, A., Marshall, A., Matskewich, H.E., Mavon, K., McLain, K.L., McNamara, A.A., McNeill, M., Mertens, U., Miller, D., Moore, B., Moore, A., Nantz, E., Nasrullah, Z., Nejkovic, V., Nell, C.S., Nilsonne, G., Nolan, R., O'Brien, C.E., O'Neill, P., O'Shea, K., Olita, T., Otterbacher, J., Palsetia, D., Pereira, B., Pozdniakov, I., Protzko, J., Reyt, J.N., Riddle, T., (Akmal) Ridhwan Omar Ali, A., Ropovik, I., Rosenberg, J.M., Rothen, S., Schulte-Mecklenbeck, M., Sharma, N., Shotwell, G., Skarzynski, M., Stedden, W., Stodden, V., Stoffel, M.A., Stoltzman, S., Subbaiah, S., Tatman, R., Thibodeau, P.H., Tomkins, S., Valdivia, A., Druijff-van de Woestijne, G.B., Viana, L., Villesèche, F., Wadsworth, W.D., Wanders, F., Watts, K., Wells, J.D., Whelpley, C.E., Won, A., Wu, L., Yip, A., Youngflesh, C., Yu, J.C., Zandian, A., Zhang, L., Zibman, C., Uhlmann, E.L., Social Networks, Solidarity and Inequality, Leerstoel Buskens, Structural geology and EM, Experimental psychopathology, Leerstoel Engelhard, Schweinsberg, M., Feldman, M., Staub, N., van den Akker, O.R., van Aert, R.C.M., van Assen, M.A.L.M., Liu, Y., Althoff, T., Heer, J., Kale, A., Mohamed, Z., Amireh, H., Venkatesh Prasad, V., Bernstein, A., Robinson, E., Snellman, K., Sommer, S.A., Otner, S.M.G., Robinson, D.A., Madan, N., Silberzahn, R., Goldstein, P., Tierney, W., Murase, T., Mandl, B., Viganola, D., Strobl, C., Schaumans, C.B.C., Kelchtermans, S., Naseeb, C., Mason Garrison, S., Yarkoni, T., Richard Chan, C. S., Adie, P., Alaburda, P., Albers, C., Alspaugh, S., Alstott, J., Nelson, A.A., Ariño de la Rubia, E., Arzi, A., Bahník, Š., Baik, J., Winther Balling, L., Banker, S., Baranger, D.A.A., Barr, D.J., Barros-Rivera, B., Bauer, M., Blaise, E., Boelen, L., Bohle Carbonell, K., Briers, R.A., Burkhard, O., Canela, M.A., Castrillo, L., Catlett, T., Chen, O., Clark, M., Cohn, B., Coppock, A., Cugueró-Escofet, N., Curran, P.G., Cyrus-Lai, W., Dai, D., Valentino Dalla Riva, G., Danielsson, H., Russo, R.d.F.S.M., de Silva, N., Derungs, C., Dondelinger, F., Duarte de Souza, C., Tyson Dube, B., Dubova, M., Dunn, B.M., Edelsbrunner, P.A., Finley, S., Fox, N., Gnambs, T., Gong, Y., Grand, E., Greenawalt, B., Han, D., Hanel, P.H.P., Hong, A.B., Hood, D., Hsueh, J., Huang, L., Hui, K.N., Hultman, K.A., Javaid, A., Ji Jiang, L., Jong, J., Kamdar, J., Kane, D., Kappler, G., Kaszubowski, E., Kavanagh, C.M., Khabsa, M., Kleinberg, B., Kouros, J., Krause, H., Krypotos, A.M., Lavbič, D., Ling Lee, R., Leffel, T., Yang Lim, W., Liverani, S., Loh, B., Lønsmann, D., Wei Low, J., Lu, A., MacDonald, K., Madan, C.R., Hjorth Madsen, L., Maimone, C., Mangold, A., Marshall, A., Matskewich, H.E., Mavon, K., McLain, K.L., McNamara, A.A., McNeill, M., Mertens, U., Miller, D., Moore, B., Moore, A., Nantz, E., Nasrullah, Z., Nejkovic, V., Nell, C.S., Nilsonne, G., Nolan, R., O'Brien, C.E., O'Neill, P., O'Shea, K., Olita, T., Otterbacher, J., Palsetia, D., Pereira, B., Pozdniakov, I., Protzko, J., Reyt, J.N., Riddle, T., (Akmal) Ridhwan Omar Ali, A., Ropovik, I., Rosenberg, J.M., Rothen, S., Schulte-Mecklenbeck, M., Sharma, N., Shotwell, G., Skarzynski, M., Stedden, W., Stodden, V., Stoffel, M.A., Stoltzman, S., Subbaiah, S., Tatman, R., Thibodeau, P.H., Tomkins, S., Valdivia, A., Druijff-van de Woestijne, G.B., Viana, L., Villesèche, F., Wadsworth, W.D., Wanders, F., Watts, K., Wells, J.D., Whelpley, C.E., Won, A., Wu, L., Yip, A., Youngflesh, C., Yu, J.C., Zandian, A., Zhang, L., Zibman, C., and Uhlmann, E.L.

Published
2021

13. Efficacy of Retreatment After Failed Direct-acting Antiviral Therapy in Patients With HCV Genotype 1-3 Infections

Author

Dietz, Julia, Spengler, Ulrich, Mullhaupt, Beat, zur Wiesch, Julian Schulze, Piecha, Felix, Mauss, Stefan, Seegers, Barbara, Hinrichsen, Holger, Antoni, Christoph, Wietzke-Braun, Perdita, Peiffer, Kai-Henrik, Berger, Annemarie, Matschenz, Katrin, Buggisch, Peter, Backhus, Johanna, Zizer, Eugen, Boettler, Tobias, Neumann-Haefelin, Christoph, Semela, David, Stauber, Rudolf, Berg, Thomas, Berg, Christoph, Zeuzem, Stefan, Vermehren, Johannes, Sarrazin, Christoph, Balavoine, J., Giostra, E., Berning, M., Hampe, J., De Gottardi, A., Rauch, A., Semmo, N., Discher, T., Trauth, J., Fischer, J., Gress, M., Guenther, R., Heinzow, H., Schmidt, J., Herrmann, A., Stallmach, A., Hilgard, G., Deterding, K., Lange, C. M., Ciesek, S., Wedemeyer, H., Hoffmann, D., Klinker, H., Schulze, P., Kocheise, F., Mueller-Schilling, M., Kodal, A., Kremer, A., Ganslmayer, M., Siebler, J., Lammert, F., Rissland, J., Loebermann, M., Goetze, T., Canbay, A., Lohse, A., von Felden, J., Jordan, S., Maieron, A., Moradpour, D., Chave, J. -P., Moreno, C., Mueller, T., Muche, M., Epple, H. -J., Port, K., von Hahn, T., Cornberg, M., Manns, M., Reinhardt, L., Ellenrieder, V., Rockstroh, J., Schattenberg, J., Sprinzl, M., Galle, P., Roeb, E., Steckstor, M., Schmiegel, W., Brockmeyer, N. H., Seufferlein, T., Stremmel, W., Strey, B., Thimme, R., Teufel, A., Vogelmann, R., Ebert, M., Tomasiewicz, K., Trautwein, C., Tacke, F., Koenen, T., Weber, T., Zachoval, R., Mayerle, J., Raziorrouh, B., Angeli, W., Beckebaum, S., Doberauer, C., Durmashkina, E., Hackelsberger, A., Erhardt, A., Garrido-Luneburg, A., Gattringer, H., Genne, D., Gschwantler, M., Gundling, F., Hametner, S., Schofl, R., Hartmann, C., Heyer, T., Hirschi, C., Jussios, A., Kanzler, S., Kordecki, N., Kraus, M., Kullig, U., Wollschlager, S., Magenta, L., Beretta-Piccoli, B. Terziroli, Menges, M., Mohr, L., Muehlenberg, K., Niederau, C., Paulweber, B., Petrides, A., Pinkernell, M., Piso, R., Rambach, W., Reiser, M., Riecken, B., Rieke, A., Roth, J., Schelling, M., Schlee, P., Schneider, A., Scholz, D., Schott, E., Schuchmann, M., Schulten-Baumer, U., Seelhoff, A., Stich, A., Stickel, F., Ungemach, J., Walter, E., Weber, A., Winzer, T., Abels, W., Adler, M., Baermann, C., Bastlein, E., Barth, R., Barthel, K., Becker, W., Behrends, J., Benninger, J., Berger, F., Berzow, D., Beyer, T., Bierbaum, M., Blaukat, O., Bodtlander, A., Bohm, G., Borner, N., Bohr, U., Bokemeyer, B., Bruch, H. R., Bucholz, D., Burkhard, O., Busch, N., Chirca, C., Delker, R., Diedrich, J., Frank, M., Diehl, M., Dienethal, A., Dietel, P., Dikopoulos, N., Dreck, M., Dreher, F., Drude, L., Ende, K., Ehrle, U., Baumgartl, K., Emke, F., Glosemeyer, R., Felten, G., Huppe, D., Fischer, U., Frederking, D., Frick, B., Friese, G., Gantke, B., Geyer, P., Schwind, H. R., Glas, M., Glaunsinger, T., Goebel, F., Gobel, U., Gorlitz, B., Graf, R., Gruber, H., Harter, G., Herder, M., Heuchel, T., Heuer, S., Hoffl, K. -H., Horster, H., Sonne, J. -U., Hofmann, W. P., Holst, F., Hunstiger, M., Hurst, A., Jagel-Guedes, E., John, C., Jung, M., Kallinowski, B., Kapzan, B., Kerzel, W., Khaykin, P., Klarhof, M., Kluppelberg, U., Klugewitz, K., Knapp, B., Knevels, U., Kochsiek, T., Korfer, A., Koster, A., Kuhn, M., Langekamp, A., Kunzig, B., Link, R., Littman, M., Lohr, H., Lutz, T., Knecht, G., Lutz, U., Mainz, D., Mahle, I., Maurer, P., Mayer, C., Meister, V., Moller, H., Heyne, R., Moritzen, D., Mross, M., Mundlos, M., Naumann, U., Nehls, O., Ningel, R., Oelmann, A., Olejnik, H., Gadow, K., Pascher, E., Petersen, J., Philipp, A., Pichler, M., Polzien, F., Raddant, R., Riedel, M., Rietzler, S., Rossle, M., Rufle, W., Rump, A., Schewe, C., Hoffmann, C., Schleehauf, D., Schmidt, K. J., Schmidt, W., Schmidt-Heinevetter, G., Schmidtler-von Fabris, J., Schnaitmann, E., Schneider, L., Schober, A., Niehaus-Hahn, S., Schwenzer, J., Seidel, T., Seitel, G., Sick, C., Simon, K. G., Stahler, D., Stenschke, F., Steffens, H., Stein, K., Steinmuller, M., Sternfeld, T., Svensson, K., Tacke, W., Teuber, G., Teubner, K., Thieringer, J., Tomesch, A., Trappe, U., Ullrich, J., Urban, G., Usadel, S., von Lucadou, A., Weinberger, F., Werheid-Dobers, M., Werner, P., Winter, T., Zehnter, E., Zipf, A., Dietz, Julia, Spengler, Ulrich, Mullhaupt, Beat, zur Wiesch, Julian Schulze, Piecha, Felix, Mauss, Stefan, Seegers, Barbara, Hinrichsen, Holger, Antoni, Christoph, Wietzke-Braun, Perdita, Peiffer, Kai-Henrik, Berger, Annemarie, Matschenz, Katrin, Buggisch, Peter, Backhus, Johanna, Zizer, Eugen, Boettler, Tobias, Neumann-Haefelin, Christoph, Semela, David, Stauber, Rudolf, Berg, Thomas, Berg, Christoph, Zeuzem, Stefan, Vermehren, Johannes, Sarrazin, Christoph, Balavoine, J., Giostra, E., Berning, M., Hampe, J., De Gottardi, A., Rauch, A., Semmo, N., Discher, T., Trauth, J., Fischer, J., Gress, M., Guenther, R., Heinzow, H., Schmidt, J., Herrmann, A., Stallmach, A., Hilgard, G., Deterding, K., Lange, C. M., Ciesek, S., Wedemeyer, H., Hoffmann, D., Klinker, H., Schulze, P., Kocheise, F., Mueller-Schilling, M., Kodal, A., Kremer, A., Ganslmayer, M., Siebler, J., Lammert, F., Rissland, J., Loebermann, M., Goetze, T., Canbay, A., Lohse, A., von Felden, J., Jordan, S., Maieron, A., Moradpour, D., Chave, J. -P., Moreno, C., Mueller, T., Muche, M., Epple, H. -J., Port, K., von Hahn, T., Cornberg, M., Manns, M., Reinhardt, L., Ellenrieder, V., Rockstroh, J., Schattenberg, J., Sprinzl, M., Galle, P., Roeb, E., Steckstor, M., Schmiegel, W., Brockmeyer, N. H., Seufferlein, T., Stremmel, W., Strey, B., Thimme, R., Teufel, A., Vogelmann, R., Ebert, M., Tomasiewicz, K., Trautwein, C., Tacke, F., Koenen, T., Weber, T., Zachoval, R., Mayerle, J., Raziorrouh, B., Angeli, W., Beckebaum, S., Doberauer, C., Durmashkina, E., Hackelsberger, A., Erhardt, A., Garrido-Luneburg, A., Gattringer, H., Genne, D., Gschwantler, M., Gundling, F., Hametner, S., Schofl, R., Hartmann, C., Heyer, T., Hirschi, C., Jussios, A., Kanzler, S., Kordecki, N., Kraus, M., Kullig, U., Wollschlager, S., Magenta, L., Beretta-Piccoli, B. Terziroli, Menges, M., Mohr, L., Muehlenberg, K., Niederau, C., Paulweber, B., Petrides, A., Pinkernell, M., Piso, R., Rambach, W., Reiser, M., Riecken, B., Rieke, A., Roth, J., Schelling, M., Schlee, P., Schneider, A., Scholz, D., Schott, E., Schuchmann, M., Schulten-Baumer, U., Seelhoff, A., Stich, A., Stickel, F., Ungemach, J., Walter, E., Weber, A., Winzer, T., Abels, W., Adler, M., Baermann, C., Bastlein, E., Barth, R., Barthel, K., Becker, W., Behrends, J., Benninger, J., Berger, F., Berzow, D., Beyer, T., Bierbaum, M., Blaukat, O., Bodtlander, A., Bohm, G., Borner, N., Bohr, U., Bokemeyer, B., Bruch, H. R., Bucholz, D., Burkhard, O., Busch, N., Chirca, C., Delker, R., Diedrich, J., Frank, M., Diehl, M., Dienethal, A., Dietel, P., Dikopoulos, N., Dreck, M., Dreher, F., Drude, L., Ende, K., Ehrle, U., Baumgartl, K., Emke, F., Glosemeyer, R., Felten, G., Huppe, D., Fischer, U., Frederking, D., Frick, B., Friese, G., Gantke, B., Geyer, P., Schwind, H. R., Glas, M., Glaunsinger, T., Goebel, F., Gobel, U., Gorlitz, B., Graf, R., Gruber, H., Harter, G., Herder, M., Heuchel, T., Heuer, S., Hoffl, K. -H., Horster, H., Sonne, J. -U., Hofmann, W. P., Holst, F., Hunstiger, M., Hurst, A., Jagel-Guedes, E., John, C., Jung, M., Kallinowski, B., Kapzan, B., Kerzel, W., Khaykin, P., Klarhof, M., Kluppelberg, U., Klugewitz, K., Knapp, B., Knevels, U., Kochsiek, T., Korfer, A., Koster, A., Kuhn, M., Langekamp, A., Kunzig, B., Link, R., Littman, M., Lohr, H., Lutz, T., Knecht, G., Lutz, U., Mainz, D., Mahle, I., Maurer, P., Mayer, C., Meister, V., Moller, H., Heyne, R., Moritzen, D., Mross, M., Mundlos, M., Naumann, U., Nehls, O., Ningel, R., Oelmann, A., Olejnik, H., Gadow, K., Pascher, E., Petersen, J., Philipp, A., Pichler, M., Polzien, F., Raddant, R., Riedel, M., Rietzler, S., Rossle, M., Rufle, W., Rump, A., Schewe, C., Hoffmann, C., Schleehauf, D., Schmidt, K. J., Schmidt, W., Schmidt-Heinevetter, G., Schmidtler-von Fabris, J., Schnaitmann, E., Schneider, L., Schober, A., Niehaus-Hahn, S., Schwenzer, J., Seidel, T., Seitel, G., Sick, C., Simon, K. G., Stahler, D., Stenschke, F., Steffens, H., Stein, K., Steinmuller, M., Sternfeld, T., Svensson, K., Tacke, W., Teuber, G., Teubner, K., Thieringer, J., Tomesch, A., Trappe, U., Ullrich, J., Urban, G., Usadel, S., von Lucadou, A., Weinberger, F., Werheid-Dobers, M., Werner, P., Winter, T., Zehnter, E., and Zipf, A.

Published
2021

15. Efficacy of Retreatment After Failed Direct-acting Antiviral Therapy in Patients With HCV Genotype 1–3 Infections

Author

Dietz, Julia, primary, Spengler, Ulrich, additional, Müllhaupt, Beat, additional, Schulze zur Wiesch, Julian, additional, Piecha, Felix, additional, Mauss, Stefan, additional, Seegers, Barbara, additional, Hinrichsen, Holger, additional, Antoni, Christoph, additional, Wietzke-Braun, Perdita, additional, Peiffer, Kai-Henrik, additional, Berger, Annemarie, additional, Matschenz, Katrin, additional, Buggisch, Peter, additional, Backhus, Johanna, additional, Zizer, Eugen, additional, Boettler, Tobias, additional, Neumann-Haefelin, Christoph, additional, Semela, David, additional, Stauber, Rudolf, additional, Berg, Thomas, additional, Berg, Christoph, additional, Zeuzem, Stefan, additional, Vermehren, Johannes, additional, Sarrazin, Christoph, additional, Balavoine, J., additional, Giostra, E., additional, Berning, M., additional, Hampe, J., additional, De Gottardi, A., additional, Rauch, A., additional, Semmo, N., additional, Discher, T., additional, Trauth, J., additional, Fischer, J., additional, Gress, M., additional, Günther, R., additional, Heinzow, H., additional, Schmidt, J., additional, Herrmann, A., additional, Stallmach, A., additional, Hilgard, G., additional, Deterding, K., additional, Lange, C.M., additional, Ciesek, S., additional, Wedemeyer, H., additional, Hoffmann, D., additional, Klinker, H., additional, Schulze, P., additional, Kocheise, F., additional, Müller-Schilling, M., additional, Kodal, A., additional, Kremer, A., additional, Ganslmayer, M., additional, Siebler, J., additional, Lammert, F., additional, Rissland, J., additional, Löbermann, M., additional, Götze, T., additional, Canbay, A., additional, Lohse, A., additional, von Felden, J., additional, Jordan, S., additional, Maieron, A., additional, Moradpour, D., additional, Chave, J.-P., additional, Moreno, C., additional, Müller, T., additional, Muche, M., additional, Epple, H.-J., additional, Port, K., additional, von Hahn, T., additional, Cornberg, M., additional, Manns, M., additional, Reinhardt, L., additional, Ellenrieder, V., additional, Rockstroh, J., additional, Schattenberg, J., additional, Sprinzl, M., additional, Galle, P., additional, Roeb, E., additional, Steckstor, M., additional, Schmiegel, W., additional, Brockmeyer, N.H., additional, Seufferlein, T., additional, Stremmel, W., additional, Strey, B., additional, Thimme, R., additional, Teufel, A., additional, Vogelmann, R., additional, Ebert, M., additional, Tomasiewicz, K., additional, Trautwein, C., additional, Tacke, F., additional, Koenen, T., additional, Weber, T., additional, Zachoval, R., additional, Mayerle, J., additional, Raziorrouh, B., additional, Angeli, W., additional, Beckebaum, S., additional, Doberauer, C., additional, Durmashkina, E., additional, Hackelsberger, A., additional, Erhardt, A., additional, Garrido-Lüneburg, A., additional, Gattringer, H., additional, Genné, D., additional, Gschwantler, M., additional, Gundling, F., additional, Hametner, S., additional, Schöfl, R., additional, Hartmann, C., additional, Heyer, T., additional, Hirschi, C., additional, Jussios, A., additional, Kanzler, S., additional, Kordecki, N., additional, Kraus, M., additional, Kullig, U., additional, Wollschläger, S., additional, Magenta, L., additional, Beretta-Piccoli, B. Terziroli, additional, Menges, M., additional, Mohr, L., additional, Muehlenberg, K., additional, Niederau, C., additional, Paulweber, B., additional, Petrides, A., additional, Pinkernell, M., additional, Piso, R., additional, Rambach, W., additional, Reiser, M., additional, Riecken, B., additional, Rieke, A., additional, Roth, J., additional, Schelling, M., additional, Schlee, P., additional, Schneider, A., additional, Scholz, D., additional, Schott, E., additional, Schuchmann, M., additional, Schulten-Baumer, U., additional, Seelhoff, A., additional, Stich, A., additional, Stickel, F., additional, Ungemach, J., additional, Walter, E., additional, Weber, A., additional, Winzer, T., additional, Abels, W., additional, Adler, M., additional, Audebert, F., additional, Baermann, C., additional, Bästlein, E., additional, Barth, R., additional, Barthel, K., additional, Becker, W., additional, Behrends, J., additional, Benninger, J., additional, Berger, F., additional, Berzow, D., additional, Beyer, T., additional, Bierbaum, M., additional, Blaukat, O., additional, Bodtländer, A., additional, Böhm, G., additional, Börner, N., additional, Bohr, U., additional, Bokemeyer, B., additional, Bruch, H.R., additional, Bucholz, D., additional, Burkhard, O., additional, Busch, N., additional, Chirca, C., additional, Delker, R., additional, Diedrich, J., additional, Frank, M., additional, Diehl, M., additional, Dienethal, A., additional, Dietel, P., additional, Dikopoulos, N., additional, Dreck, M., additional, Dreher, F., additional, Drude, L., additional, Ende, K., additional, Ehrle, U., additional, Baumgartl, K., additional, Emke, F., additional, Glosemeyer, R., additional, Felten, G., additional, Hüppe, D., additional, Fischer, U., additional, Frederking, D., additional, Frick, B., additional, Friese, G., additional, Gantke, B., additional, Geyer, P., additional, Schwind, H.R., additional, Glas, M., additional, Glaunsinger, T., additional, Goebel, F., additional, Göbel, U., additional, Görlitz, B., additional, Graf, R., additional, Gruber, H., additional, Härter, G., additional, Herder, M., additional, Heuchel, T., additional, Heuer, S., additional, Höffl, K.-H., additional, Hörster, H., additional, Sonne, J.-U., additional, Hofmann, W.P., additional, Holst, F., additional, Hunstiger, M., additional, Hurst, A., additional, Jägel-Guedes, E., additional, John, C., additional, Jung, M., additional, Kallinowski, B., additional, Kapzan, B., additional, Kerzel, W., additional, Khaykin, P., additional, Klarhof, M., additional, Klüppelberg, U., additional, Klugewitz, K., additional, Knapp, B., additional, Knevels, U., additional, Kochsiek, T., additional, Körfer, A., additional, Köster, A., additional, Kuhn, M., additional, Langekamp, A., additional, Künzig, B., additional, Link, R., additional, Littman, M., additional, Löhr, H., additional, Lutz, T., additional, Knecht, G., additional, Lutz, U., additional, Mainz, D., additional, Mahle, I., additional, Maurer, P., additional, Mayer, C., additional, Meister, V., additional, Möller, H., additional, Heyne, R., additional, Moritzen, D., additional, Mroß, M., additional, Mundlos, M., additional, Naumann, U., additional, Nehls, O., additional, Ningel, K.&R., additional, Oelmann, A., additional, Olejnik, H., additional, Gadow, K., additional, Pascher, E., additional, Petersen, J., additional, Philipp, A., additional, Pichler, M., additional, Polzien, F., additional, Raddant, R., additional, Riedel, M., additional, Rietzler, S., additional, Rössle, M., additional, Rufle, W., additional, Rump, A., additional, Schewe, C., additional, Hoffmann, C., additional, Schleehauf, D., additional, Schmidt, K.J., additional, Schmidt, W., additional, Schmidt-Heinevetter, G., additional, Schmidtler-von Fabris, J., additional, Schnaitmann, E., additional, Schneider, L., additional, Schober, A., additional, Niehaus-Hahn, S., additional, Schwenzer, J., additional, Seidel, T., additional, Seitel, G., additional, Sick, C., additional, Simon, K.G., additional, Stähler, D., additional, Stenschke, F., additional, Steffens, H., additional, Stein, K., additional, Steinmüller, M., additional, Sternfeld, T., additional, Svensson, K., additional, Tacke, W., additional, Teuber, G., additional, Teubner, K., additional, Thieringer, J., additional, Tomesch, A., additional, Trappe, U., additional, Ullrich, J., additional, Urban, G., additional, Usadel, S., additional, von Lucadou, A., additional, Weinberger, F., additional, Werheid-Dobers, M., additional, Werner, P., additional, Winter, T., additional, Zehnter, E., additional, and Zipf, A., additional

Published
2021
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16. Sudbury Breccia (Canada): a product of the 1850 Ma Sudbury Event and host to footwall Cu-Ni-PGE deposits

Author

Rousell, Don H., Fedorowich, John S., and Dressler, Burkhard O.

Subjects
Sudbury Basin -- Natural history, Breccia -- Composition, Earth sciences
Abstract

The Sudbury Structure, formed by meteorite impact at 1850 Ma, consists of three major components: (1) the Sudbury Basin; (2) the Sudbury Igneous Complex, which surrounds the basin as an elliptical collar; and (3) breccia bodies in the footwall known as Sudbury Breccia. In general, the breccia consists of subrounded fragments set in a dark, fine-grained to aphanitic matrix. A comparison of the chemical composition of host rocks, clasts and matrices indicates that brecciation was essentially an in-situ process. Sudbury Breccia forms irregular-shaped bodies or dikes that range in size from mm to km scale. Contacts with the host rocks are commonly sharp. The aspect ratio of most clasts is approximately 2 with the long axes parallel to dike walls. The fractal dimension (Dr)=1.55. Although there appears to be some concentration of brecciation within concentric zones, small Sudbury Breccia bodies within and outside these zones have more or less random strikes and steep dips. Sudbury Breccia bodies near an embayment structure tend to be subparallel to the base of the Sudbury Igneous Complex. Sudbury Breccia occurs as much as 80 km from the outer margin of the Sudbury Igneous Complex. In an inner zone, 5 to 15 km wide, breccia comprises 5% of exposed bedrock with an increase in brecciation intensity in embayment structures. Sudbury Breccia may be classified into three types based on the nature of the matrix: clastic, pseudotachylite and microcrystalline. Clastic Sudbury Breccia, the dominant type in the Southern Province, is characterized by flow-surface structures. Possibly, a sudden rise in pore pressure caused explosive dilation and fragmentation, followed by fluidization and flowage into extension fractures. Pseudotachylite Sudbury Breccia, mainly confined to Archean rocks, apparently formed by comminution and frictional melting. Microcrystalline Sudbury Breccia formed as a result of the thermal metamorphism, of the North Range footwall, by the Sudbury Igneous Complex. This produced a zone, approximately 1.2 km wide, wherein the matrix of the breccia either recrystallized or, locally, melted. An overprint of regional metamorphism obliterated contact effects in the South Range footwall. The Ni-Cu-PGE magmatic sulphide deposits may be classified into four types based on structural setting: Sudbury Igneous Complex--footwall contact, footwall, offset, and sheared deposits. Sudbury Breccia is the main host for footwall deposits (e.g., McCreedy East, Victor, Lindsley). Sudbury Breccia locally hosts mineralization in radial (e.g., Parkin and Copper Cliff) and concentric (e.g., Frood-Stobie) offset dikes. Keywords: Impact; Pseudotachylite; Friction; Flow surface; Pore fluid; Cu-Ni-PGE deposits

Published
2003

19. New constraints on the Slate Islands impact structure: comments and reply

Author

Halls, H.C., Grieve, R.A.F., Robertson, P.B., Sharpton, Virgil L., and Dressler, Burkhard O.

Subjects
Erosion -- Environmental aspects, Breccia -- Observations, Earth sciences
Abstract

Surviving remnants of the original breccia lens along the flanks of the Slate Islands suggest that the region was far from heavily eroded. The erosion level is lesser than 350m because the base of the lens at its inner flank is shallow. However, critics argue that significant erosion has taken place because the paleomagnetic data used did not make any allowance for inward translation thereby resulting in a minimum height estimate. In addition, shallow erosion does not account for the low recorded shock pressures in the parautochtonous rocks of the floor.

Published
1997

20. New constraints on the Slate Islands impact structure, Ontario, Canada

Author

Sharpton, Virgil L., Dressler, Burkhard O., Herrick, Robert R., Schnieders, Bernie, and Scott, John

Subjects
Canada -- Natural history, Cratering -- Research, Earth sciences
Abstract

The Slate Islands in northern Lake Superior represent the eroded remains of a complex impact crater, originally [approximately]32 km in diameter. New field studies there reveal allogenic crater fill deposits along the eastern and northern portions of the islands indicating that this 500-800 Ma impact structure is not as heavily eroded as previously thought. Near the crater center, on the western side of Patterson Island, massive blocks of target rocks, enclosed within a matrix of fine-grained polymict breccia, record the extensive deformation associated with the central uplift. Shatter cones are a common structural feature on the islands and range from

Published
1996

25. Randomized Phase III Study of High-Dose Fluorouracil Given As a Weekly 24-Hour Infusion With or Without Leucovorin Versus Bolus Fluorouracil Plus Leucovorin in Advanced Colorectal Cancer: European Organization of Research and Treatment of Cancer Gastrointestinal Group Study 40952

Author

Köhne, C-H., Wils, J., Lorenz, M., Schöffski, P., Voigtmann, R., Bokemeyer, C., Lutz, M., Kleeberg, U., Ridwelski, K., Souchon, R., El-Serafi, M., Weiss, U., Burkhard, O., Rückle, H., Lichinitser, M., Langenbuch, T., Scheithauer, W., Baron, B., Couvreur, M.L., and Schmoll, H.J.

Published
2003

26. Impactites of the Yaxcopoil-1 drilling site, Chicxulub impact structure: Petrography, geochemistry, and depositional environment

Author

Dressler, Burkhard O, Sharpton, Virgil L, Schwandt, Craig S, and Ames, Doreen

Subjects
Geophysics
Abstract

The impact breccias encountered in drill hole Yaxcopoil-1 (Yax-1) in the Chicxulub impact structure have been subdivided into six units. The two uppermost units are redeposited suevite and suevite, and together are only 28 m thick. The two units below are interpreted as a ground surge deposit similar to a pyroclastic flow in a volcanic regime with a fine-grained top (unit 3; 23 m thick; nuee ardente) and a coarse breccia (unit 4; approx.15 m thick) below. As such, they consist of a melange of clastic matrix breccia and melt breccia. The pyroclastic ground surge deposit and the two units 5 and 6 below are related to the ejecta curtain. Unit 5 (approx.24 m thick) is a silicate impact melt breccia, whereas unit 6 (10 m thick) is largely a carbonate melt breccia with some clastic-matrix components. Unit 5 and 6 reflect an overturning of the target stratigraphy. The suevites of units 1 and 2 were deposited after emplacement of the ejecta curtain debris. Reaction of the super-heated breccias with seawater led to explosive activity similar to phreomagmatic steam explosion in volcanic regimes. This activity caused further brecciation of melt and melt fragments. The fallback suevite deposit of units 1 and 2 is much thinner than suevite deposits at larger distances from the center of the impact structure than the 60 km of the Yax-1 drill site. This is evidence that the fallback suevite deposit (units 1 and 2) originally was much thicker. Unit 1 exhibits sedimentological features suggestive of suevite redeposition. Erosion possibly has occurred right after the IUT impact due to seawater backsurge, but erosion processes spanning thousands of years may also have been active. Therefore, the top of the 100 m thick impactite sequence at Yaxcopoil, in our opinion, is not the K/T boundary.

Published
2004

28. Survival of patients with advanced solid tumours who are treated in community based oncology group practices is longer compared to registry data and comparable to randomized controlled trials

Author

Weide, R, Chakupurakal, G, Feiten, S, Friesenhahn, V, Kleboth, K, Köppler, H, Lutschkin, J, Thomalla, J, Roye, Cv, Burkhard, O, Reiser, M, Ehscheidt, P, and Heymanns, J

Subjects
ddc: 610, 610 Medical sciences, Medicine
Abstract

Background: Approximately 600,000 cancer patients are treated each year in specialized oncology group practices in Germany. Preliminary work has shown that patients receiving palliative treatment in an outpatient setting live significantly longer than comparable patients in tumour registries. The reasons[for full text, please go to the a.m. URL], 17. Deutscher Kongress für Versorgungsforschung (DKVF)

Published
2018
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29. Triplet state homoaromaticity : concept, computational validation and experimental relevance

Author

Patrick Bultinck, Kjell Jorner, Henrik Ottosson, and Burkhard O. Jahn

Subjects
INDEPENDENT CHEMICAL-SHIFTS, Mechanistic organic photochemistry, EXCITED-STATE, 010402 general chemistry, 01 natural sciences, DELOCALIZATION INDEXES, POLYCYCLIC AROMATIC-HYDROCARBONS, ORGANIC-PHOTOCHEMISTRY, Teoretisk kemi, Theoretical chemistry, ACID-BASE BEHAVIOR, Molecule, AB-INITIO CALCULATION, Singlet state, Triplet state, Physics::Chemical Physics, Theoretical Chemistry, Computer Science::Databases, Astrophysics::Galaxy Astrophysics, Organisk kemi, Homoaromaticity, 010405 organic chemistry, Organic Chemistry, General Chemistry, 0104 chemical sciences, MOLECULAR-ORBITAL METHODS, Chemistry, Chemical physics, Excited state, MULTICENTER BOND INDEXES, Astrophysics::Earth and Planetary Astrophysics, Ground state, INDUCED MAGNETIC-FIELD
Abstract

Conjugation through space can give rise to aromaticity in the lowest excited triplet state, with impact for photochemistry., Cyclic conjugation that occurs through-space and leads to aromatic properties is called homoaromaticity. Here we formulate the homoaromaticity concept for the triplet excited state (T1) based on Baird's 4n rule and validate it through extensive quantum-chemical calculations on a range of different species (neutral, cationic and anionic). By comparison to well-known ground state homoaromatic molecules we reveal that five of the investigated compounds show strong T1 homoaromaticity, four show weak homoaromaticity and two are non-aromatic. Two of the compounds have previously been identified as excited state intermediates in photochemical reactions and our calculations indicate that they are also homoaromatic in the first singlet excited state. Homoaromaticity should therefore have broad implications in photochemistry. We further demonstrate this by computational design of a photomechanical “lever” that is powered by relief of homoantiaromatic destabilization in the first singlet excited state.

Published
2018

30. Post-hoc analyses of a subgroup of patients with advanced biliary tract cancer (BTC) who crossed over to treatment with etoposide toniribate (EDO-S7.1) in a randomized phase II study

Author

Pape, U.-F., primary, Kasper, S., additional, Meiler, J., additional, Sinn, M., additional, Vogel, A., additional, Mueller, L., additional, Burkhard, O., additional, Caca, K., additional, Heeg, S., additional, Rodriguez Laval, V., additional, Kuhl, A.A., additional, Arsenic, R., additional, Jansen, H., additional, Mehrling, T., additional, Hilgier, K., additional, Wagner, I., additional, and Utku, N., additional

Published
2019
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31. Abstract P1-16-06: Improved survival of patients with metastatic breast cancer in routine care is restricted to tumors with positive hormone receptor and/or Her2-expression. Survival analysis of 1,321 patients treated between 1995 and 2017 in oncology group practices

Author

Weide, R, primary, Rendenbach, B, additional, Laubenstein, H-P, additional, Braun, U, additional, Hünermund, K, additional, Burkhard, O, additional, Ehscheidt, P, additional, Feiten, S, additional, Chakupurakal, G, additional, Friesenhahn, V, additional, Kleboth, K, additional, Köppler, H, additional, Lutschkin, J, additional, Thomalla, J, additional, van Roye, C, additional, and Heymanns, J, additional

Published
2019
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33. PRECYCLE: multicenter, randomized phase IV intergroup trial to evaluate the impact of eHealth-based patient-reported outcome (PRO) assessment on quality of life in patients with hormone receptor positive, HER2 negative locally advanced or metastatic breast cancer treated with palbociclib and an aromatase inhibitor or palbociclib and fulvestrant

Author

Tom Degenhardt, Peter A. Fasching, Diana Lüftner, Volkmar Müller, Christoph Thomssen, Christian Schem, Isabell Witzel, Thomas Decker, Hans Tesch, Sherko Kümmel, Christoph Uleer, Rachel Wuerstlein, Oliver Hoffmann, Mathias Warm, Norbert Marschner, Timo Schinköthe, Ronald E. Kates, Johannes Schumacher, Burkhard Otremba, Matthias Zaiss, Nadia Harbeck, Marcus Schmidt, and on behalf of the PreCycle Investigators

Subjects
Metastatic breast cancer, eHealth, Patient-reported outcome, Quality of life, CDK 4/6 inhibitor, Endocrine therapy, Medicine (General), R5-920
Abstract

Abstract Background Efficacy and quality of life (QoL) are key criteria for therapy selection in metastatic breast cancer (MBC). In hormone receptor positive (HR +) human epidermal growth factor receptor 2 negative (HER2 −) MBC, addition of targeted oral agents such as everolimus or a cycline-dependent kinase 4/6 (CDK 4/6) inhibitor (e.g., palbociclib, ribociclib, abemaciclib) to endocrine therapy substantially prolongs progression-free survival and in the case of a CDK 4/6i also overall survival. However, the prerequisite is adherence to therapy over the entire course of treatment. However, particularly with new oral drugs, adherence presents a challenge to disease management. In this context, factors influencing adherence include maintaining patients’ satisfaction and early detection/management of side effects. New strategies for continuous support of oncological patients are needed. An eHealth-based platform can help to support therapy management and physician–patient interaction. Methods PreCycle is a multicenter, randomized, phase IV trial in HR + HER2 − MBC. All patients (n = 960) receive the CDK 4/6 inhibitor palbociclib either in first (62.5%) or later line (37.5%) together with endocrine therapy (AI, fulvestrant) according to national guidelines. PreCycle evaluates and compares the time to deterioration (TTD) of QoL in patients supported by eHealth systems with substantially different functionality: CANKADO active vs. inform. CANKADO active is the fully functional CANKADO-based eHealth treatment support system. CANKADO inform is a CANKADO-based eHealth service with a personal login, documentation of daily drug intake, but no further functions. To evaluate QoL, the FACT-B questionnaire is completed at every visit. As little is known about relationships between behavior (e.g., adherence), genetic background, and drug efficacy, the trial includes both patient-reported outcome and biomarker screening for discovery of forecast models for adherence, symptoms, QoL, progression free survival (PFS), and overall survival (OS). Discussion The primary objective of PreCycle is to test the hypothesis of superiority for time to deterioration (TTD) in terms of DQoL = “Deterioration of quality of life” (FACT-G scale) in patients supported by an eHealth therapy management system (CANKADO active) versus in patients merely receiving eHealth-based information (CANKADO inform). EudraCT Number: 2016–004191-22

Published
2023
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34. Polyfulvenes: Polymers with 'Handles' That Enable Extensive Electronic Structure Tuning

Author

Anton Grigoriev, Henrik Ottosson, Sébastien Villaume, Rajeev Ahuja, Christian Dahlstrand, and Burkhard O. Jahn

Subjects
Band gap, Electronic structure, Ring (chemistry), Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, chemistry.chemical_compound, General Energy, chemistry, Computational chemistry, Valence bond theory, Density functional theory, Molecular orbital, Physical and Theoretical Chemistry, HOMO/LUMO, Fulvene
Abstract

The fundamental electronic structure properties of substituted poly(penta)fulvenes and pentafulvene-based polymers are analyzed through qualitative molecular orbital (MO) theory combined with calculations at the B3LYP and HSE06 hybrid density functional theory (DFT) levels. We argue that the pentafulvene monomer unit has a unique character because electron density in the exocyclic C═C double bond can be polarized into and out of the five-membered ring, a feature that is not available to other more commonly used monomers. It is investigated how the energy gaps between the highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO, respectively), as approximate band gaps, are influenced by exocyclic substitution, introduction of linker groups, benzannulation, and ring substitution. In particular, the exocyclic positions of the fulvene act as “handles” by which the electronic structure of the polymer can be tuned between the quinoid and fulvenoid valence bond isomers; electron-withdrawing exocy...

Published
2015

35. The 6,6-Dicyanopentafulvene Core: A Template for the Design of Electron-Acceptor Compounds

Author

Anas Saithalavi, Jean-Paul Gisselbrecht, Edgar Mijangos, Burkhard O. Jahn, Djawed Nauroozi, W. Bernd Schweizer, Christian Dahlstrand, Corinne Boudon, Henrik Ottosson, Sophie Haberland, Sascha Ott, François Diederich, and Aaron D. Finke

Subjects
chemistry.chemical_classification, Implicit solvation, Organic Chemistry, Maximum deviation, General Chemistry, Electron acceptor, Ring (chemistry), Polarizable continuum model, Catalysis, Reduction (complexity), Core (optical fiber), chemistry, Computational chemistry, Physical chemistry, Cyclic voltammetry
Abstract

The electron-accepting ability of 6,6-dicyanopentafulvenes (DCFs) can be varied extensively through substitution on the five-membered ring. The reduction potentials for a set of 2,3,4,5-tetraphenyl-substituted DCFs, with varying substituents at the para-position of the phenyl rings, strongly correlate with their Hammett σp-parameters. By combining cyclic voltammetry with DFT calculations ((U)B3LYP/6-311+G(d)), using the conductor-like polarizable continuum model (CPCM) for implicit solvation, the absolute reduction potentials of a set of twenty DCFs were reproduced with a mean absolute deviation of 0.10 eV and a maximum deviation of 0.19 eV. Our experimentally investigated DCFs have reduction potentials within 3.67-4.41 eV, however, the computations reveal that DCFs with experimental reduction potentials as high as 5.3 eV could be achieved, higher than that of F4-TCNQ (5.02 eV). Thus, the DCF core is a template that allows variation in the reduction potentials by about 1.6 eV.

Published
2015

36. Triplet state homoaromaticity : concept, computational validation and experimental relevance

Author

Jorner, Kjell, Jahn, Burkhard O., Bultinck, Patrick, Ottosson, Henrik, Jorner, Kjell, Jahn, Burkhard O., Bultinck, Patrick, and Ottosson, Henrik

Abstract

Cyclic conjugation that occurs through-space and leads to aromatic properties is called homoaromaticity. Here we formulate the homoaromaticity concept for the triplet excited state (T1) based on Baird's 4n rule and validate it through extensive quantum-chemical calculations on a range of different species (neutral, cationic and anionic). By comparison to well-known ground state homoaromatic molecules we reveal that five of the investigated compounds show strong T1 homoaromaticity, four show weak homoaromaticity and two are non-aromatic. Two of the compounds have previously been identified as excited state intermediates in photochemical reactions and our calculations indicate that they are also homoaromatic in the first singlet excited state. Homoaromaticity should therefore have broad implications in photochemistry. We further demonstrate this by computational design of a photomechanical “lever” that is powered by relief of homoantiaromatic destabilization in the first singlet excited state.

Published
2018
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38. Patterns of Resistance-Associated Substitutions in Patients With Chronic HCV Infection Following Treatment With Direct-Acting Antivirals

Author

Dietz, Julia, primary, Susser, Simone, additional, Vermehren, Johannes, additional, Peiffer, Kai-Henrik, additional, Grammatikos, Georgios, additional, Berger, Annemarie, additional, Ferenci, Peter, additional, Buti, Maria, additional, Müllhaupt, Beat, additional, Hunyady, Bela, additional, Hinrichsen, Holger, additional, Mauss, Stefan, additional, Petersen, Jörg, additional, Buggisch, Peter, additional, Felten, Gisela, additional, Hüppe, Dietrich, additional, Knecht, Gaby, additional, Lutz, Thomas, additional, Schott, Eckart, additional, Berg, Christoph, additional, Spengler, Ulrich, additional, von Hahn, Thomas, additional, Berg, Thomas, additional, Zeuzem, Stefan, additional, Sarrazin, Christoph, additional, Antoni, C., additional, Vogelmann, R., additional, Ebert, M., additional, Backhus, J., additional, Seufferlein, T., additional, Balavoine, J., additional, Giostra, E., additional, Berg, C., additional, Cornberg, M., additional, Wedemeyer, H., additional, Manns, M., additional, De Gottardi, A., additional, Esteban, R., additional, Discher, T., additional, Roeb, E., additional, Gress, M., additional, Günther, R., additional, Wietzke-Braun, P., additional, Herrmann, A., additional, Stallmach, A., additional, Hoffmann, D., additional, Klinker, H., additional, Kodal, A., additional, Lammert, F., additional, Löbermann, M., additional, Schulze zur Wiesch, J., additional, von Felden, J., additional, Piecha, F., additional, Lohse, A., additional, Götze, T., additional, Malfertheiner, P., additional, Mayerle, J., additional, Moradpour, D., additional, Moreno, C., additional, Neumann-Haefelin, C., additional, Thimme, R., additional, Reinhardt, L., additional, Ellenrieder, V., additional, Schattenberg, J., additional, Sprinzl, M., additional, Galle, P., additional, Schmidt, J., additional, Schott, E., additional, Epple, H.-J., additional, Siebler, J., additional, Stauber, R., additional, Steckstor, M., additional, Schmiegel, W., additional, Stremmel, W., additional, Strey, B., additional, Tomasiewicz, K., additional, Trautwein, C., additional, Zachoval, R., additional, Angeli, W., additional, Beckebaum, S., additional, Doberauer, C., additional, Ende, K., additional, Erhardt, A., additional, Garrido-Lüneburg, A., additional, Gattringer, H., additional, Genné, D., additional, Gschwantler, M., additional, Gundling, F., additional, Hartmann, C., additional, Heyer, T., additional, Hirschi, C., additional, Kanzler, S., additional, Kordecki, N., additional, Kraus, M., additional, Kullig, U., additional, Magenta, L., additional, Terziroli Beretta-Piccoli, B., additional, Menges, M., additional, Mohr, L., additional, Muehlenberg, K., additional, Niederau, C., additional, Paulweber, B., additional, Petrides, A., additional, Piso, R., additional, Rambach, W., additional, Reiser, M., additional, Riecken, B., additional, Roth, J., additional, Schöfl, R., additional, Maieron, A., additional, Schneider, A., additional, Schuchmann, M., additional, Schulten-Baumer, U., additional, Seelhoff, A., additional, Semela, D., additional, Stich, A., additional, Vollmer, C., additional, Brückner, J., additional, Ungemach, J., additional, Walter, E., additional, Weber, A., additional, Winzer, T., additional, Abels, W., additional, Adler, M., additional, Audebert, F., additional, Baermann, C., additional, Bästlein, E., additional, Barth, R., additional, Barthel, K., additional, Baumgartl, K., additional, Becker, W., additional, Benninger, J., additional, Beyer, T., additional, Bodtländer, A., additional, Böhm, G., additional, Bohr, U., additional, Moll, A., additional, Naumann, U., additional, Börner, N., additional, Bruch, H.R., additional, Busch, N., additional, Burkhard, O., additional, Chirca, C., additional, Dienethal, A., additional, Dietel, P., additional, Dreher, F., additional, Efken, P., additional, Ehrle, U., additional, Emke, F., additional, Fischer, J., additional, Fischer, U., additional, Frederking, D., additional, Frick, B., additional, Gantke B, B., additional, Geyer, P., additional, Glaunsinger, T., additional, Goebel, F., additional, Göbel, U., additional, Graf, R., additional, Herder, M., additional, Heuchel, T., additional, Heuer, S., additional, Heyne, R., additional, Höffl, K.H., additional, Hofmann, W.P., additional, Holst, F., additional, Hörster, H., additional, John, C., additional, Jung, M.C., additional, Kallinowski, B., additional, Kerzel, W., additional, Khaykin, P., additional, Klarhof, M., additional, Knapp, B., additional, Knevels, U., additional, Körfer, A., additional, Köster, A., additional, Künzig, B., additional, Langenkamp, A., additional, Kuhn, M., additional, Littman, M., additional, Löhr, H., additional, Ludwig, L., additional, Lutz, U., additional, Maurer, P., additional, Mayer, C., additional, Meister, V., additional, Moritzen, D., additional, Mroß, M., additional, Mundlos, M., additional, Nehls, O., additional, Ningel, K., additional, Oelmann, A., additional, Olejnik, H., additional, Pascher, E., additional, Philipp, A., additional, Pichler, M., additional, Polzien, F., additional, Raddant, R., additional, Riedel, M., additional, Rietzler, S., additional, Rump, A., additional, Schmidt, W., additional, Schmidtler-von Fabris, J., additional, Schneider, L., additional, Schober, A., additional, Schwenzer, J., additional, Seidel, T., additional, Seitel, G., additional, Sick, C., additional, Simon, K., additional, Stähler, D., additional, Steffens, H., additional, Svensson, K., additional, Tacke, W., additional, Teubner, K., additional, Thieringer, J., additional, Trappe, U., additional, Ullrich, J., additional, Usadel, S., additional, von Lucadou, A., additional, Werheid-Dobers, M., additional, Zehnter, E., additional, and Zipf, A., additional

Published
2018
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40. New Class of Molecular Conductance Switches Based on the [1,3]-Silyl Migration from Silanes to Silenes

Author

Löfås, Henrik, Orthaber, Andreas, Jahn, Burkhard O., Rouf, Alvi M., Grigoriev, Anton, Ott, Sascha, Ahuja, Rajeev, and Ottosson, Henrik

Subjects
Article
Abstract

On the basis of first-principles density functional theory calculations, we propose a new molecular photoswitch which exploits a photochemical [1,3]-silyl(germyl) shift leading from a silane to a silene (a Si=C double bonded compound). The silanes investigated herein act as the OFF state, with tetrahedral saturated silicon atoms disrupting the conjugation through the molecules. The silenes, on the other hand, have conjugated paths spanning over the complete molecules and thus act as the ON state. We calculate ON/OFF conductance ratios in the range of 10-50 at a voltage of +1 V. In the low bias regime, the ON/OFF ratio increases to a range of 200-1150. The reverse reaction could be triggered thermally or photolytically, with the silene being slightly higher in relative energy than the silane. The calculated activation barriers for the thermal back-rearrangement of the migrating group can be tuned and are in the range 108-171 kJ/mol for the switches examined herein. The first-principles calculations together with a simple one-level model show that the high ON/OFF ratio in the molecule assembled in a solid state device is due to changes in the energy position of the frontier molecular orbitals compared to the Fermi energy of the electrodes, in combination with an increased effective coupling between the molecule and the electrodes for the ON state.

Published
2013

41. Recommendations on chemicals management policy and legislation in the framework of the Egyptian–German twinning project on hazardous substances and waste management

Author

Juliane Koch-Jugl, Keya Choudhury, Burkhard O. Wagner, Anja Schwetje, Fatma Abou Shouk, Michael Braedt, Elham Refaat Abdel Aziz, and Roland Weber

Subjects
Hazardous Waste, Engineering, Capacity Building, United Nations, Health, Toxicology and Mutagenesis, Guidelines as Topic, Legislation, Hazardous Substances, Convention, Waste Management, Hazardous waste, Germany, European Neighbourhood Policy, Agency (sociology), Environmental Chemistry, media_common.cataloged_instance, European Union, European union, Developing Countries, Environmental planning, media_common, Globally Harmonized System of Classification and Labelling of Chemicals, business.industry, Environmental resource management, Chemical Safety, General Medicine, Pollution, Environmental Policy, Sustainable management, Egypt, business
Abstract

The sustainable management of chemicals and their associated wastes-especially legacy stockpiles-is always challenging. Developing countries face particular difficulties as they often have insufficient treatment and disposal capacity, have limited resources and many lack an appropriate and effective regulatory framework. This paper describes the objectives and the approach of the Egyptian-German Twinning Project under the European Neighbourhood Policy to improve the strategy of managing hazardous substances in the Egyptian Environmental Affairs Agency (EEAA) between November 2008 and May 2011. It also provides an introduction to the Republic of Egypt's legal and administrative system regarding chemical controls. Subsequently, options for a new chemical management strategy consistent with the recommendations of the United Nations Chemicals Conventions are proposed. The Egyptian legal and administrative system is discussed in relation to the United Nations' recommendations and current European Union legislation for the sound management of chemicals. We also discuss a strategy for the EEAA to use the existing Egyptian legal system to implement the United Nations' Globally Harmonized System of Classification and Labelling of Chemicals, the Stockholm Convention and other proposed regulatory frameworks. The analysis, the results, and the recommendations presented may be useful for other developing countries in a comparable position to Egypt aspiring to update their legislation and administration to the international standards of sound management of chemicals.

Published
2013

42. Amphiphilic star-shaped block copolymers as unimolecular drug delivery systems: investigations using a novel fungicide

Author

Ulrich S. Schubert, Ute Möllmann, Katrin Knop, Tobias Rudolph, Vadim Makarov, Burkhard O. Jahn, Axel A. Brakhage, David Pretzel, Felix H. Schacher, Georges M. Pavlov, Daniel H. Scharf, and Karin Martin

Subjects
Isothermal titration calorimetry, General Chemistry, Condensed Matter Physics, Micelle, chemistry.chemical_compound, chemistry, Dynamic light scattering, Polymerization, Chemical engineering, Polymer chemistry, Drug delivery, Amphiphile, Copolymer, Ethylene glycol
Abstract

Amphiphilic star-shaped poly(e-caprolactone)-block-poly(oligo(ethylene glycol)methacrylate) [PCLa-b-POEGMAb]4 block copolymers with four arms and varying degrees of polymerization for the core (PCL) and the shell (POEGMA) were used to investigate the solution behavior in dilute aqueous solution using a variety of techniques, including fluorescence and UV/Vis spectroscopy, dynamic light scattering, analytical ultracentrifugation, and isothermal titration calorimetry. Particular emphasis has been applied to prove that the systems form unimolecular micelles for different hydrophilic/lipophilic balances of the employed materials. In vitro cytotoxicity and hemocompatibility have further been investigated to probe the suitability of these structures for in vivo applications. A novel fungicide was included into the hydrophobic core in aqueous media to test their potential as drug delivery systems. After loading, the materials have been shown to release the drug and to provoke therewith an inhibition of the growth of different fungal strains.

Published
2013

47. REFLECT: prospective multicenter non-interventional study evaluating the effectiveness and safety of Sandoz rituximab (SDZ-RTX; Rixathon) in combination with CHOP for the treatment of patients with previously untreated CD20-positive diffuse large B-cell lymphoma

Author

Manfred Welslau, Boris Kubuschok, Julian Topaly, Burkhard Otremba, Thomas Wolff, and Galyna Bryn

Subjects
Diseases of the blood and blood-forming organs, RC633-647.5
Abstract

Background: REFLECT is the first prospective study of Sandoz biosimilar rituximab (SDZ-RTX) in patients with diffuse large B-cell lymphoma (DLBCL). Objective: To evaluate the 2-year effectiveness and safety of SDZ-RTX as first-line treatment for DLBCL. Design: Real-world, multicenter, open-label, single-arm, non-interventional, post-approval study of SDZ-RTX in combination with cyclophosphamide, doxorubicin, vincristine, and prednisone (R-CHOP) in patients with treatment-naïve CD20‑positive DLBCL. Methods: Treatment-naïve, CD20-positive adult patients (⩾18 years) with DLBCL eligible for therapy with R-CHOP were treated with SDZ-RTX-CHOP every 2 or 3 weeks for 6–8 cycles. The effectiveness of SDZ-RTX was measured by the complete response (CR) rate at the end of R-CHOP treatment, as assessed by the treating physician. Progression-free survival (PFS) was assessed at 24 months. Results: A total of 169 patients [52.1% female, median (range) age 70 (24−94) years] with DLBCL were included in the full analysis set. At baseline, 19.5% and 24.3% of patients had Ann Arbor disease stage III or IV, respectively, and most patients (80.5%) had Eastern Cooperative Oncology Group Performance Status of 0 or 1. A total of 100 (59.2%) patients completed the 24-month observation period. In total, 110 [65.1%; 95% confidence interval (CI): 57.4–72.3] patients achieved CR as best response and 50 (29.6%; 95% CI: 22.8–37.1) patients achieved partial response. Overall best response rate was 94.7% (95% CI: 90.1–97.5). One-year PFS was 84.9% (95% CI: 78.2–89.6), while 2-year PFS was 78.5% (95% CI: 70.9–84.4); median PFS was not reached within the observational period. A total of 143 (84.6%) patients experienced ⩾1 adverse event, 53 (31.4%) of which were suspected to be related to study drug. Conclusion: This real-world, 2-year study reconfirms that first-line treatment of CD20-positive DLBCL with R-CHOP using SDZ-RTX is effective and well tolerated. Registration: N/A

Published
2023
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48. Computational Investigation of Brook-Type Silabenzenes and Their Possible Formation through [1,3]-Si→O Silyl Shifts

Author

Jahn Burkhard O., Henrik Ottosson, and Muhammad Rouf Alvi

Subjects
Inorganic Chemistry, Quantum chemical, Silylation, Computational chemistry, Chemistry, Organic Chemistry, Order (group theory), Organic chemistry, Density functional theory, Physical and Theoretical Chemistry, Type (model theory)
Abstract

Quantum chemical calculations with the M062X hybrid meta density functional theory method were performed in order to examine formation of Brook-type silabenzenes 4a – 4l, silapyridines 6a – 6d, and ...

Published
2012

50. Allene as the parent substrate in zinc-mediated biomimetic hydration reactions of cumulenes

Author

Jahn, Burkhard O., Eger, Wilhelm A., and Anders, Ernst

Subjects
Biomimetics -- Analysis, Carbon dioxide -- Chemical properties, Hydration (Chemistry) -- Analysis, Zinc -- Chemical properties, Biological sciences, Chemistry
Abstract

The carbonic anhydrase models that allows the specific recognition, activation and transfer of C[O.sub.2] as well as heteroallenes X=C=Y such as the polar or polarizable examples COS, C[S.sub.2], [H.sub.2]CCO, and RNCS are used to understand the general mode of biomimetic activation of a wide variety of cumulenes. The results obtained demonstrate the ability of allene to interact with models of carbonic anhydrase to allow the inexpensive transformation of cumulene.

Published
2008

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