Integrating Explainability into Graph Neural Network Models for the Prediction of X-ray Absorption Spectra

por Kotobi, Amir, Singh, Kanishka, Höche, Daniel, Bari, Sadia, Meißner, Robert H., Bande, Annika
Publicado 2023

Ionization and Photofragmentation of Isolated Metalloporphyrin Cations Investigated by VUV Action Spectroscopy

por Schubert, Kaja, Schwob, Lucas, Dörner, Simon, Girod, Marion, MacAleese, Luke, Pieterse, Cornelius L., Schlathölter, Thomas, Techert, Simone, Bari, Sadia
Publicado 2021

Reconstructing the infrared spectrum of a peptide from representative conformers of the full canonical ensemble

por Kotobi, Amir, Schwob, Lucas, Vonbun-Feldbauer, Gregor B., Rossi, Mariana, Gasparotto, Piero, Feiler, Christian, Berden, Giel, Oomens, Jos, Oostenrijk, Bart, Scuderi, Debora, Bari, Sadia, Meißner, Robert H.
Publicado 2023

Empagliflozin Ameliorates Progression From Prediabetes to Diabetes and Improves Hepatic Lipid Metabolism: A Systematic Review

por Hossain, Md Fahad, Khan, Nawsheen A, Rahman, Afroza, Chowdhury, Mirza Farhana Iqbal, Bari, Sadia, Khan, Mahfuza A, Masud, Ummul Wara, Zakia, Ummul B, Paul, Shibani P, Tasnim, Nishat
Publicado 2022

The electronic structure and deexcitation pathways of an isolated metalloporphyrin ion resolved by metal L-edge spectroscopy

por Schubert, Kaja, Guo, Meiyuan, Atak, Kaan, Dörner, Simon, Bülow, Christine, von Issendorff, Bernd, Klumpp, Stephan, Lau, J. Tobias, Miedema, Piter S., Schlathölter, Thomas, Techert, Simone, Timm, Martin, Wang, Xin, Zamudio-Bayer, Vicente, Schwob, Lucas, Bari, Sadia
Publicado 2021

Soft X‐ray Spectroscopy as a Probe for Gas‐Phase Protein Structure: Electron Impact Ionization from Within

por Bari, Sadia, Egorov, Dmitrii, Jansen, Thomas L. C., Boll, Rebecca, Hoekstra, Ronnie, Techert, Simone, Zamudio‐Bayer, Vicente, Bülow, Christine, Lindblad, Rebecka, Leistner, Georg, Ławicki, Arkadiusz, Hirsch, Konstantin, Miedema, Piter S., von Issendorff, Bernd, Lau, J. Tobias, Schlathölter, Thomas
Publicado 2018

XUV double-pulses with femtosecond to 650 ps separation from a multilayer-mirror-based split-and-delay unit at FLASH

por Sauppe, Mario, Rompotis, Dimitrios, Erk, Benjamin, Bari, Sadia, Bischoff, Tobias, Boll, Rebecca, Bomme, Cédric, Bostedt, Christoph, Dörner, Simon, Düsterer, Stefan, Feigl, Torsten, Flückiger, Leonie, Gorkhover, Tais, Kolatzki, Katharina, Langbehn, Bruno, Monserud, Nils, Müller, Erland, Müller, Jan P., Passow, Christopher, Ramm, Daniel, Rolles, Daniel, Schubert, Kaja, Schwob, Lucas, Senfftleben, Björn, Treusch, Rolf, Ulmer, Anatoli, Weigelt, Holger, Zimbalski, Jannis, Zimmermann, Julian, Möller, Thomas, Rupp, Daniela
Publicado 2018

Site-specific interrogation of an ionic chiral fragment during photolysis using an X-ray free-electron laser

por Ilchen, Markus, Schmidt, Philipp, Novikovskiy, Nikolay M., Hartmann, Gregor, Rupprecht, Patrick, Coffee, Ryan N., Ehresmann, Arno, Galler, Andreas, Hartmann, Nick, Helml, Wolfram, Huang, Zhirong, Inhester, Ludger, Lutman, Alberto A., MacArthur, James P., Maxwell, Timothy, Meyer, Michael, Music, Valerija, Nuhn, Heinz-Dieter, Osipov, Timur, Ray, Dipanwita, Wolf, Thomas J. A., Bari, Sadia, Walter, Peter, Li, Zheng, Moeller, Stefan, Knie, André, Demekhin, Philipp V.
Publicado 2021

The kinetic energy of PAH dication and trication dissociation determined by recoil-frame covariance map imaging

por Lee, Jason W. L., Tikhonov, Denis S., Allum, Felix, Boll, Rebecca, Chopra, Pragya, Erk, Benjamin, Gruet, Sebastian, He, Lanhai, Heathcote, David, Kazemi, Mehdi M., Lahl, Jan, Lemmens, Alexander K., Loru, Donatella, Maclot, Sylvain, Mason, Robert, Müller, Erland, Mullins, Terry, Passow, Christopher, Peschel, Jasper, Ramm, Daniel, Steber, Amanda L., Bari, Sadia, Brouard, Mark, Burt, Michael, Küpper, Jochen, Eng-Johnsson, Per, Rijs, Anouk M., Rolles, Daniel, Vallance, Claire, Manschwetus, Bastian, Schnell, Melanie
Publicado 2022

A localized view on molecular dissociation via electron-ion partial covariance

por Allum, Felix, Music, Valerija, Inhester, Ludger, Boll, Rebecca, Erk, Benjamin, Schmidt, Philipp, Baumann, Thomas M., Brenner, Günter, Burt, Michael, Demekhin, Philipp V., Dörner, Simon, Ehresmann, Arno, Galler, Andreas, Grychtol, Patrik, Heathcote, David, Kargin, Denis, Larsson, Mats, Lee, Jason W. L., Li, Zheng, Manschwetus, Bastian, Marder, Lutz, Mason, Robert, Meyer, Michael, Otto, Huda, Passow, Christopher, Pietschnig, Rudolf, Ramm, Daniel, Schubert, Kaja, Schwob, Lucas, Thomas, Richard D., Vallance, Claire, Vidanović, Igor, von Korff Schmising, Clemens, Wagner, René, Walter, Peter, Zhaunerchyk, Vitali, Rolles, Daniel, Bari, Sadia, Brouard, Mark, Ilchen, Markus
Publicado 2022

A data set from flash X-ray imaging of carboxysomes

por Hantke, Max F., Hasse, Dirk, Ekeberg, Tomas, John, Katja, Svenda, Martin, Loh, Duane, Martin, Andrew V., Timneanu, Nicusor, Larsson, Daniel S.D., van der Schot, Gijs, Carlsson, Gunilla H., Ingelman, Margareta, Andreasson, Jakob, Westphal, Daniel, Iwan, Bianca, Uetrecht, Charlotte, Bielecki, Johan, Liang, Mengning, Stellato, Francesco, DePonte, Daniel P., Bari, Sadia, Hartmann, Robert, Kimmel, Nils, Kirian, Richard A., Seibert, M. Marvin, Mühlig, Kerstin, Schorb, Sebastian, Ferguson, Ken, Bostedt, Christoph, Carron, Sebastian, Bozek, John D., Rolles, Daniel, Rudenko, Artem, Foucar, Lutz, Epp, Sascha W., Chapman, Henry N., Barty, Anton, Andersson, Inger, Hajdu, Janos, Maia, Filipe R.N.C.
Publicado 2016

Open data set of live cyanobacterial cells imaged using an X-ray laser

por van der Schot, Gijs, Svenda, Martin, Maia, Filipe R.N.C., Hantke, Max F., DePonte, Daniel P., Seibert, M. Marvin, Aquila, Andrew, Schulz, Joachim, Kirian, Richard A., Liang, Mengning, Stellato, Francesco, Bari, Sadia, Iwan, Bianca, Andreasson, Jakob, Timneanu, Nicusor, Bielecki, Johan, Westphal, Daniel, Nunes de Almeida, Francisca, Odić, Duško, Hasse, Dirk, Carlsson, Gunilla H., Larsson, Daniel S.D., Barty, Anton, Martin, Andrew V., Schorb, Sebastian, Bostedt, Christoph, Bozek, John D., Carron, Sebastian, Ferguson, Ken, Rolles, Daniel, Rudenko, Artem, Epp, Sascha W., Foucar, Lutz, Rudek, Benedikt, Erk, Benjamin, Hartmann, Robert, Kimmel, Nils, Holl, Peter, Englert, Lars, Loh, N. Duane, Chapman, Henry N., Andersson, Inger, Hajdu, Janos, Ekeberg, Tomas
Publicado 2016

Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers

por Holmes, Susannah, Kirkwood, Henry J., Bean, Richard, Giewekemeyer, Klaus, Martin, Andrew V., Hadian-Jazi, Marjan, Wiedorn, Max O., Oberthür, Dominik, Marman, Hugh, Adriano, Luigi, Al-Qudami, Nasser, Bajt, Saša, Barák, Imrich, Bari, Sadia, Bielecki, Johan, Brockhauser, Sandor, Coleman, Mathew A., Cruz-Mazo, Francisco, Danilevski, Cyril, Dörner, Katerina, Gañán-Calvo, Alfonso M., Graceffa, Rita, Fanghor, Hans, Heymann, Michael, Frank, Matthias, Kaukher, Alexander, Kim, Yoonhee, Kobe, Bostjan, Knoška, Juraj, Laurus, Torsten, Letrun, Romain, Maia, Luis, Messerschmidt, Marc, Metz, Markus, Michelat, Thomas, Mills, Grant, Molodtsov, Serguei, Monteiro, Diana C. F., Morgan, Andrew J., Münnich, Astrid, Peña Murillo, Gisel E., Previtali, Gianpietro, Round, Adam, Sato, Tokushi, Schubert, Robin, Schulz, Joachim, Shelby, Megan, Seuring, Carolin, Sellberg, Jonas A., Sikorski, Marcin, Silenzi, Alessandro, Stern, Stephan, Sztuk-Dambietz, Jola, Szuba, Janusz, Trebbin, Martin, Vagovic, Patrick, Ve, Thomas, Weinhausen, Britta, Wrona, Krzysztof, Xavier, Paul Lourdu, Xu, Chen, Yefanov, Oleksandr, Nugent, Keith A., Chapman, Henry N., Mancuso, Adrian P., Barty, Anton, Abbey, Brian, Darmanin, Connie
Publicado 2022

Megahertz serial crystallography

por Wiedorn, Max O., Oberthür, Dominik, Bean, Richard, Schubert, Robin, Werner, Nadine, Abbey, Brian, Aepfelbacher, Martin, Adriano, Luigi, Allahgholi, Aschkan, Al-Qudami, Nasser, Andreasson, Jakob, Aplin, Steve, Awel, Salah, Ayyer, Kartik, Bajt, Saša, Barák, Imrich, Bari, Sadia, Bielecki, Johan, Botha, Sabine, Boukhelef, Djelloul, Brehm, Wolfgang, Brockhauser, Sandor, Cheviakov, Igor, Coleman, Matthew A., Cruz-Mazo, Francisco, Danilevski, Cyril, Darmanin, Connie, Doak, R. Bruce, Domaracky, Martin, Dörner, Katerina, Du, Yang, Fangohr, Hans, Fleckenstein, Holger, Frank, Matthias, Fromme, Petra, Gañán-Calvo, Alfonso M., Gevorkov, Yaroslav, Giewekemeyer, Klaus, Ginn, Helen Mary, Graafsma, Heinz, Graceffa, Rita, Greiffenberg, Dominic, Gumprecht, Lars, Göttlicher, Peter, Hajdu, Janos, Hauf, Steffen, Heymann, Michael, Holmes, Susannah, Horke, Daniel A., Hunter, Mark S., Imlau, Siegfried, Kaukher, Alexander, Kim, Yoonhee, Klyuev, Alexander, Knoška, Juraj, Kobe, Bostjan, Kuhn, Manuela, Kupitz, Christopher, Küpper, Jochen, Lahey-Rudolph, Janine Mia, Laurus, Torsten, Le Cong, Karoline, Letrun, Romain, Xavier, P. Lourdu, Maia, Luis, Maia, Filipe R. N. C., Mariani, Valerio, Messerschmidt, Marc, Metz, Markus, Mezza, Davide, Michelat, Thomas, Mills, Grant, Monteiro, Diana C. F., Morgan, Andrew, Mühlig, Kerstin, Munke, Anna, Münnich, Astrid, Nette, Julia, Nugent, Keith A., Nuguid, Theresa, Orville, Allen M., Pandey, Suraj, Pena, Gisel, Villanueva-Perez, Pablo, Poehlsen, Jennifer, Previtali, Gianpietro, Redecke, Lars, Riekehr, Winnie Maria, Rohde, Holger, Round, Adam, Safenreiter, Tatiana, Sarrou, Iosifina, Sato, Tokushi, Schmidt, Marius, Schmitt, Bernd, Schönherr, Robert, Schulz, Joachim, Sellberg, Jonas A., Seibert, M. Marvin, Seuring, Carolin, Shelby, Megan L., Shoeman, Robert L., Sikorski, Marcin, Silenzi, Alessandro, Stan, Claudiu A., Shi, Xintian, Stern, Stephan, Sztuk-Dambietz, Jola, Szuba, Janusz, Tolstikova, Aleksandra, Trebbin, Martin, Trunk, Ulrich, Vagovic, Patrik, Ve, Thomas, Weinhausen, Britta, White, Thomas A., Wrona, Krzysztof, Xu, Chen, Yefanov, Oleksandr, Zatsepin, Nadia, Zhang, Jiaguo, Perbandt, Markus, Mancuso, Adrian P., Betzel, Christian, Chapman, Henry, Barty, Anton
Publicado 2018