Publications of projects from different scientific fields which used the CHEOPS cluster or were supported by the RRZK HPC group:

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2023

Fatima, Mariyam, Müller, Holger S. P., Zingsheim, Oliver, Lewen, Frank, Rivilla, Víctor M., Jiménez-Serra, Izaskun, Martín-Pintado, Jesús, Schlemmer, Stephan
Millimetre and submillimetre spectroscopy of isobutene and its detection in the molecular cloud G+0.693
Astronomy & Astrophysics, Volume 680, Pages A25, December 2023
DOI: 10.1051/0004-6361/202347112

Gallrein, Christian, Williams, Ashley B., Meyer, David H., Messling, Jan-Erik, Garcia, Antonio, Schumacher, Björn
baz-2 enhances systemic proteostasis in vivo by regulating acetylcholine metabolism
Cell Reports, Volume 42, Number 12, Pages 113577, December 2023
DOI: 10.1016/j.celrep.2023.113577

Nina del Ser, Imane El Achchi, Achim Rosch
Fractional Topological Charges in 2D Magnets
arXiv e-print, Dec 2023
arXiv: 2312.11435v1

Jiang, Cong, Parteli, Eric J. R., Xia, Qian, Shao, Yaping
Evaluation of precipitation reanalysis products for regional hydrological modelling in the Yellow River Basin
Theoretical and Applied Climatology, December 2023
DOI: 10.1007/s00704-023-04758-w

Gembé, Martin, Schmidt, Heinz-Jürgen, Hickey, Ciarán, Richter, Johannes, Iqbal, Yasir, Trebst, Simon
Noncoplanar magnetic order in classical square-kagome antiferromagnets
Physical Review Research, Volume 5, Number 4, December 2023
DOI: 10.1103/physrevresearch.5.043204

Beckmann, J. Louis, Krieft, Jonas, Vishnevskiy, Yury V., Neumann, Beate, Stammler, Hans-Georg, Mitzel, Norbert W.
Poly-pnictogen bonding: trapping halide ions by a tetradentate antimony(III) Lewis acid
Chemical Science, Volume 14, Number 46, Pages 13551–13559, December 2023
DOI: 10.1039/d3sc04594c

Jordan, Rose, Maisuls, Iván, Nair, Shruthi S., Dietzek-Ivanšić, Benjamin, Strassert, Cristian A., Klein, Axel
Enhanced luminescence properties through heavy ancillary ligands in [Pt(C^N^C)(L)] complexes, L = AsPh3 and SbPh3
Dalton Transactions, Volume 52, Number 48, Pages 18220–18232, December 2023
DOI: 10.1039/d3dt03225f

Boll, Vanessa, Hermanns, Thomas, Uthoff, Matthias, Erven, Ilka, Hörner, Eva-Maria, Kozjak-Pavlovic, Vera, Baumann, Ulrich, Hofmann, Kay
Functional and structural diversity in deubiquitinases of the Chlamydia-like bacterium Simkania negevensis
Nature Communications, Volume 14, Number 1, November 2023
DOI: 10.1038/s41467-023-43144-y

Arolt, Christoph, Dugan, Margaret, Wild, Robert, Richartz, Vanessa, Holz, Barbara, Scheel, Andreas H., Brägelmann, Johannes, Wagener-Ryczek, Svenja, Merkelbach-Bruse, Sabine, Wolf, Juergen, Buettner, Reinhard, Catanzariti, Luigi, Scheffler, Matthias, Hillmer, Axel M.
KEAP1/NFE2L2 Pathway Signature Outperforms KEAP1/NFE2L2 Mutation Status and Reveals Alternative Pathway-Activating Mutations in NSCLC
Journal of Thoracic Oncology, Volume 18, Number 11, Pages 1550–1567, November 2023
DOI: 10.1016/j.jtho.2023.07.016

Nikopoulou, Chrysa, Kleinenkuhnen, Niklas, Parekh, Swati, Sandoval, Tonantzi, Ziegenhain, Christoph, Schneider, Farina, Giavalisco, Patrick, Donahue, Kat-Folz, Vesting, Anna Juliane, Kirchner, Marcel, Bozukova, Mihaela, Vossen, Christian, Altmüller, Janine, Wunderlich, Thomas, Sandberg, Rickard, Kondylis, Vangelis, Tresch, Achim, Tessarz, Peter
Spatial and single-cell profiling of the metabolome, transcriptome and epigenome of the aging mouse liver
Nature Aging, Volume 3, Number 11, Pages 1430–1445, November 2023
DOI: 10.1038/s43587-023-00513-y

Kutzker, Tim, Wied, Dominik
Testing the correct specification of a system of spatial dependence models for stock returns
Empirical Economics, November 2023
DOI: 10.1007/s00181-023-02518-3

Merschel, Arne, Vishnevskiy, Yury V., Neumann, Beate, Stammler, Hans‐Georg, Ghadwal, Rajendra S.
Ring‐Opening of 1,3‐Imidazole Based Mesoionic Carbenes (iMICs) and Ring‐Closing Clicks: Facile Access to iMIC‐Compounds
Chemistry – A European Journal, Volume 30, Number 3, November 2023
DOI: 10.1002/chem.202303652

Schmid, Dario, Li, Tian-Ren, Goldfuss, Bernd, Tiefenbacher, Konrad
Exploring the Glycosylation Reaction Inside the Resorcin[4]arene Capsule
The Journal of Organic Chemistry, Volume 88, Number 20, Pages 14515–14526, October 2023
DOI: 10.1021/acs.joc.3c01547

Gu, Binbin, Goldfuss, Bernd, Schnakenburg, Gregor, Dickschat, Jeroen S.
Subrutilane—A Hexacyclic Sesterterpene from Streptomyces subrutilus
Angewandte Chemie International Edition, Volume 62, Number 48, October 2023
DOI: 10.1002/anie.202313789

Beckmann, J. Louis, Krieft, Jonas, Vishnevskiy, Yury V., Neumann, Beate, Stammler, Hans‐Georg, Mitzel, Norbert W.
A Bidentate Antimony Pnictogen Bonding Host System
Angewandte Chemie International Edition, Volume 62, Number 46, October 2023
DOI: 10.1002/anie.202310439

Vu, Hong Ha, Behrmann, Heide, Hanić, Maja, Jeyasankar, Gayathri, Krishnan, Shruthi, Dannecker, Dennis, Hammer, Constantin, Gunkel, Monika, Solov’yov, Ilia A., Wolf, Eva, Behrmann, Elmar
A marine cryptochrome with an inverse photo-oligomerization mechanism
Nature Communications, Volume 14, Number 1, October 2023
DOI: 10.1038/s41467-023-42708-2

Rubio, Karla, Müller, Jason M., Mehta, Aditi, Watermann, Iris, Olchers, Till, Koch, Ina, Wessels, Sabine, Schneider, Marc A., Araujo-Ramos, Tania, Singh, Indrabahadur, Kugler, Christian, Stoleriu, Mircea Gabriel, Kriegsmann, Mark, Eichhorn, Martin, Muley, Thomas, Merkel, Olivia M., Braun, Thomas, Ammerpohl, Ole, Reck, Martin, Tresch, Achim, Barreto, Guillermo
Preliminary results from the EMoLung clinical study showing early lung cancer detection by the LC score
Discover Oncology, Volume 14, Number 1, October 2023
DOI: 10.1007/s12672-023-00799-9

Vishnevskiy, Yury V.
RotGT-2023: A benchmark data set of rotational g tensors
The Journal of Chemical Physics, Volume 159, Number 16, October 2023
DOI: 10.1063/5.0173313

Lüpsen, Haiko
Generalizations of the Tests by Kruskal-Wallis, Friedman and van der Waerden for Split-plot Designs
Austrian Journal of Statistics, Volume 52, Number 5, Pages 101–130, September 2023
DOI: 10.17713/ajs.v52i5.1545

Herzhoff, Robert, Negri, Fabrizia, Meerholz, Klaus, Fazzi, Daniele
Revealing the interplay between the structural complexity of triphenylamine redox derivatives and their charge transport processes via computational modeling
Journal of Materials Chemistry C, Volume 11, Number 35, Pages 11969–11979, September 2023
DOI: 10.1039/d3tc02206d

Vosberg, Jonas, Bouveyron, Thomas, Eisen-Winter, Simon, Drönner, Jan, Raabe, Gerhard, Vanhoorne, Pierre, Behnke, Sven, Eisenacher, Matthias
Temperature Stable Ion Exchange Resins as Catalysts for the Manufacturing of Vitamin Precursors by Aldol Reaction
International Journal of Molecular Sciences, Volume 24, Number 18, Pages 14367, September 2023
DOI: 10.3390/ijms241814367

Gonçalves-Dias, José, Singh, Akanksha, Graf, Corbinian, Stetter, Markus G
Genetic Incompatibilities and Evolutionary Rescue by Wild Relatives Shaped Grain Amaranth Domestication
Molecular Biology and Evolution, Volume 40, Number 8, August 2023
DOI: 10.1093/molbev/msad177

Mayer, Alexander, Wied, Dominik
Estimation and inference in factor copula models with exogenous covariates
Journal of Econometrics, Volume 235, Number 2, Pages 1500–1521, August 2023
DOI: 10.1016/j.jeconom.2023.01.003

Dalhoff, Rosalie, Schmidt, Regina, Steeb, Lena, Rabatinova, Kristina, Witte, Matthias, Teeuwen, Simon, Benjamaâ, Salim, Hüppe, Henrika, Hoffmann, Alexander, Herres-Pawlis, Sonja
The bridge towards a more stable and active side-on-peroxido (Cu2II(µ-η2:η2-O2)) complex as a tyrosinase model system
Faraday Discussions, Volume 244, Pages 134–153, August 2023
DOI: 10.1039/d2fd00162d

Möller, T., Schilke, P., Sánchez-Monge, Á., Schmiedeke, A., Meng, F.
The physical and chemical structure of Sagittarius B2: VII. Dust and ionized gas contributions to the full molecular line survey of 47 hot cores
Astronomy & Astrophysics, Volume 676, Pages A121, August 2023
DOI: 10.1051/0004-6361/202346903

del Ser, Nina, Lohani, Vivek
Skyrmion jellyfish in driven chiral magnets
SciPost Physics, Volume 15, Number 2, August 2023
DOI: 10.21468/scipostphys.15.2.065

Kutzker, Tim, Klein, Nadja, Wied, Dominik
Flexible specification testing in quantile regression models
Scandinavian Journal of Statistics, August 2023
DOI: 10.1111/sjos.12671

Milchevskaya, Vladislava, Bugnon, Philippe, ten Buren, Emiel B. J., Vanhecke, Dominique, Brand, Frank, Tresch, Achim, Buch, Thorsten
Group size planning for breedings of gene-modified mice and other organisms following Mendelian inheritance
Lab Animal, Volume 52, Number 8, Pages 183–188, July 2023
DOI: 10.1038/s41684-023-01213-1

Gresista, Lasse, Kiese, Dominik, Trebst, Simon, Scherer, Michael M.
Spin-valley magnetism on the triangular moiré lattice with SU(4) breaking interactions
Physical Review B, Volume 108, Number 4, July 2023
DOI: 10.1103/physrevb.108.045102

Merschel, Arne, Vishnevskiy, Yury V., Neumann, Beate, Stammler, Hans‐Georg, Ghadwal, Rajendra S.
Highly Soluble Cyclic Organoalanes Based on Anionic Dicarbenes
Chemistry – A European Journal, Volume 29, Number 46, July 2023
DOI: 10.1002/chem.202301037

Tikhonov, Denis S., Vishnevskiy, Yury V.
Describing nuclear quantum effects in vibrational properties using molecular dynamics with Wigner sampling
Physical Chemistry Chemical Physics, Volume 25, Number 27, Pages 18406–18423, July 2023
DOI: 10.1039/d3cp01007d

Borsch, Marvin, Mayer, Alexander, Wied, Dominik
Consistent Estimation of Multiple Breakpoints in Dependence Measures
Journal of Business & Economic Statistics, Pages 1–12, July 2023
DOI: 10.1080/07350015.2023.2224850

Park, Jeyong, Gresista, Lasse, Trebst, Simon, Rosch, Achim, Park, Jinhong
Network of chiral one-dimensional channels and localized states emerging in a moiré system
2D Materials, Volume 10, Number 3, Pages 035033, June 2023
DOI: 10.1088/2053-1583/acdd82

Klau, Jan Henric, Maj, Carlo, Klinkhammer, Hannah, Krawitz, Peter M., Mayr, Andreas, Hillmer, Axel M., Schumacher, Johannes, Heider, Dominik
AI-based multi-PRS models outperform classical single-PRS models
Frontiers in Genetics, Volume 14, June 2023
DOI: 10.3389/fgene.2023.1217860

Xu, Houchao, Schnakenburg, Gregor, Goldfuss, Bernd, Dickschat, Jeroen S.
Mechanistic Characterisation of the Bacterial Sesterviridene Synthase from Kitasatospora viridis
Angewandte Chemie International Edition, Volume 62, Number 31, June 2023
DOI: 10.1002/anie.202306429

Hess, Timo, Maj, Carlo, Gehlen, Jan, Borisov, Oleg, Haas, Stephan L., Gockel, Ines, Vieth, Michael, Piessen, Guillaume, Alakus, Hakan, Vashist, Yogesh, Pereira, Carina, Knapp, Michael, Schüller, Vitalia, Quaas, Alexander, Grabsch, Heike I., Trautmann, Jessica, Malecka-Wojciesko, Ewa, Mokrowiecka, Anna, Speller, Jan, Mayr, Andreas, Schröder, Julia, Hillmer, Axel M., Heider, Dominik, Lordick, Florian, Pérez-Aísa, Ángeles, Campo, Rafael, Espinel, Jesús, Geijo, Fernando, Thomson, Concha, Bujanda, Luis, Sopeña, Federico, Lanas, Ángel, Pellisé, María, Pauligk, Claudia, Goetze, Thorsten Oliver, Zelck, Carolin, Reingruber, Julian, Hassanin, Emadeldin, Elbe, Peter, Alsabeah, Sandra, Lindblad, Mats, Nilsson, Magnus, Kreuser, Nicole, Thieme, René, Tavano, Francesca, Pastorino, Roberta, Arzani, Dario, Persiani, Roberto, Jung, Jin-On, Nienhüser, Henrik, Ott, Katja, Schumann, Ralf R., Kumpf, Oliver, Burock, Susen, Arndt, Volker, Jakubowska, Anna, Ławniczak, Małgorzta, Moreno, Victor, Martín, Vicente, Kogevinas, Manolis, Pollán, Marina, Dąbrowska, Justyna, Salas, Antonio, Cussenot, Olivier, Boland-Auge, Anne, Daian, Delphine, Deleuze, Jean-Francois, Salvi, Erika, Teder-Laving, Maris, Tomasello, Gianluca, Ratti, Margherita, Senti, Chiara, De Re, Valli, Steffan, Agostino, Hölscher, Arnulf H., Messerle, Katharina, Bruns, Christiane Josephine, Sīviņš, Armands, Bogdanova, Inga, Skieceviciene, Jurgita, Arstikyte, Justina, Moehler, Markus, Lang, Hauke, Grimminger, Peter P., Kruschewski, Martin, Vassos, Nikolaos, Schildberg, Claus, Lingohr, Philipp, Ridwelski, Karsten, Lippert, Hans, Fricker, Nadine, Krawitz, Peter, Hoffmann, Per, Nöthen, Markus M., Veits, Lothar, Izbicki, Jakob R., Mostowska, Adrianna, Martinón-Torres, Federico, Cusi, Daniele, Adolfsson, Rolf, Cancel-Tassin, Geraldine, Höblinger, Aksana, Rodermann, Ernst, Ludwig, Monika, Keller, Gisela, Metspalu, Andres, Brenner, Hermann, Heller, Joerg, Neef, Markus, Schepke, Michael, Dumoulin, Franz Ludwig, Hamann, Lutz, Cannizzaro, Renato, Ghidini, Michele, Plaßmann, Dominik, Geppert, Michael, Malfertheiner, Peter, Gehlen, Olivier, Skoczylas, Tomasz, Majewski, Marek, Lubiński, Jan, Palmieri, Orazio, Boccia, Stefania, Latiano, Anna, Aragones, Nuria, Schmidt, Thomas, Dinis-Ribeiro, Mário, Medeiros, Rui, Al-Batran, Salah-Eddin, Leja, Mārcis, Kupcinskas, Juozas, García-González, María A., Venerito, Marino, Schumacher, Johannes
Dissecting the genetic heterogeneity of gastric cancer
eBioMedicine, Volume 92, Pages 104616, June 2023
DOI: 10.1016/j.ebiom.2023.104616

Müller, Nina, Lorenz, Carina, Ostendorp, Jenny, Heisel, Felix S., Friese, Ulrich P., Cartolano, Maria, Plenker, Dennis, Tumbrink, Hannah, Heimsoeth, Alena, Baedeker, Philipp, Weiss, Jonathan, Ortiz-Cuaran, Sandra, Büttner, Reinhard, Peifer, Martin, Thomas, Roman K., Sos, Martin L., Berg, Johannes, Brägelmann, Johannes
Characterizing Evolutionary Dynamics Reveals Strategies to Exhaust the Spectrum of Subclonal Resistance in EGFR-Mutant Lung Cancer
Cancer Research, Volume 83, Number 15, Pages 2471–2479, June 2023
DOI: 10.1158/0008-5472.can-22-2605

Müller, H S P, Garrod, R T, Belloche, A, Rivilla, V M, Menten, K M, Jiménez-Serra, I, Martín-Pintado, J, Lewen, F, Schlemmer, S
Rotation-tunnelling spectrum and astrochemical modelling of dimethylamine, CH3NHCH3, and searches for it in space
Monthly Notices of the Royal Astronomical Society, Volume 523, Number 2, Pages 2887–2917, May 2023
DOI: 10.1093/mnras/stad1549

Zhu, Guo-Yi, Chen, Ji-Yao, Ye, Peng, Trebst, Simon
Topological Fracton Quantum Phase Transitions by Tuning Exact Tensor Network States
Physical Review Letters, Volume 130, Number 21, May 2023
DOI: 10.1103/physrevlett.130.216704

Xu, Houchao, Lauterbach, Lukas, Goldfuss, Bernd, Schnakenburg, Gregor, Dickschat, Jeroen S.
Fragmentation and [4 + 3] cycloaddition in sodorifen biosynthesis
Nature Chemistry, Volume 15, Number 8, Pages 1164–1171, May 2023
DOI: 10.1038/s41557-023-01223-z

Müller, Holger S.P., Jørgensen, Jes K., Guillemin, Jean-Claude, Lewen, Frank, Schlemmer, Stephan
Rotational spectroscopy of oxirane-2,2-d_2,c-CD_2CH_2O, and its tentative detection toward IRAS 16293-2422 B
Journal of Molecular Spectroscopy, Volume 394, Pages 111777, April 2023
DOI: 10.1016/j.jms.2023.111777

Wang, Jiao-Mei, Chen, Teng, Yao, Chang-Sheng, Zhang, Kai
Synthesis of β-Ketonitriles via N-Heterocyclic-Carbene-Catalyzed Radical Coupling of Aldehydes and Azobis(isobutyronitrile)
Organic Letters, Volume 25, Number 18, Pages 3325–3329, April 2023
DOI: 10.1021/acs.orglett.3c01168

Arolt, Christoph, Hoffmann, Franziska, Nachtsheim, Lisa, Mayer, Marcel, Guntinas‐Lichius, Orlando, Buettner, Reinhard, von Eggeling, Ferdinand, Klussmann, Jens Peter, Hillmer, Axel, Quaas, Alexander, Klein, Sebastian, Wolber, Philipp
The extracellular matrix landscape in salivary gland carcinomas is defined by cellular differentiation via expression of three distinct protein modules
The Journal of Pathology, Volume 260, Number 2, Pages 148–164, April 2023
DOI: 10.1002/path.6071

Campos-Martin, Rafael, Schmickler, Sophia, Goel, Manish, Schneeberger, Korbinian, Tresch, Achim
Reliable genotyping of recombinant genomes using a robust hidden Markov model
Plant Physiology, Volume 192, Number 2, Pages 821–836, March 2023
DOI: 10.1093/plphys/kiad191

Vishnevskiy, Yury V., Otlyotov, Arseniy A., Lamm, Jan-Hendrik, Stammler, Hans-Georg, Girichev, Georgiy V., Mitzel, Norbert W.
Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C–C bond
Physical Chemistry Chemical Physics, Volume 25, Number 16, Pages 11464–11476, March 2023
DOI: 10.1039/d2cp05613e

Elekes, F., Saur, J.
Space environment and magnetospheric Poynting fluxes of the exoplanet τ Boötis b
Astronomy & Astrophysics, Volume 671, Pages A133, March 2023
DOI: 10.1051/0004-6361/202244947

Glodde, Timo, Neumann, Beate, Stammler, Hans-Georg, Mitzel, Norbert W.
Solid-state molecular structures of Se(IV) and Te(IV) dihalides X2Se(CH3)(C6F5) and the gas-phase structure of Se(CH3)(C6F5)
Zeitschrift für Naturforschung B, Volume 78, Number 3–4, Pages 121–132, March 2023
DOI: 10.1515/znb-2022-0307

Wickemeyer, Lucas, Trapp, Pia C., Aders, Niklas, Neumann, Beate, Stammler, Hans‐Georg, Mitzel, Norbert W.
Reactivity of Oxygen‐Bridged Geminal Al/P and Si/P Frustrated Lewis Pairs towards Heterocumulenes
Chemistry – A European Journal, Volume 29, Number 21, March 2023
DOI: 10.1002/chem.202203685

Wickemeyer, Lucas, Schwabedissen, Jan, Trapp, Pia C., Neumann, Beate, Stammler, Hans-Georg, Mitzel, Norbert W.
ortho-Phenylene-bridged phosphorus/silicon Lewis pairs
Dalton Transactions, Volume 52, Number 9, Pages 2611–2618, March 2023
DOI: 10.1039/d2dt04097b

Bujarrabal-Dueso, Arturo, Sendtner, Georg, Meyer, David H., Chatzinikolaou, Georgia, Stratigi, Kalliopi, Garinis, George A., Schumacher, Björn
The DREAM complex functions as conserved master regulator of somatic DNA-repair capacities
Nature Structural & Molecular Biology, Volume 30, Number 4, Pages 475–488, March 2023
DOI: 10.1038/s41594-023-00942-8

Müller, Philipp, Velazquez Camacho, Oscar, Yazbeck, Ali M., Wölwer, Christina, Zhai, Weiwei, Schumacher, Johannes, Heider, Dominik, Buettner, Reinhard, Quaas, Alexander, Hillmer, Axel M.
Why loss of Y? A pan-cancer genome analysis of tumors with loss of Y chromosome
Computational and Structural Biotechnology Journal, Volume 21, Pages 1573–1583, February 2023
DOI: 10.1016/j.csbj.2023.02.024

Wittek, Mark, Bartenhagen, Christoph, Berthold, Frank
The development of stratification and segregation in a new scientific field: A study of collaboration among scientists in neuroblastoma research between 1975 and 2016
Social Networks, Volume 72, Pages 80–107, January 2023
DOI: 10.1016/j.socnet.2022.05.001

Theising, Etienne, Wied, Dominik
Monitoring cointegration in systems of cointegrating relationships
Econometrics and Statistics, January 2023
DOI: 10.1016/j.ecosta.2023.01.001

Steffenfauseweh, Henric, Rottschäfer, Dennis, Vishnevskiy, Yury V., Neumann, Beate, Stammler, Hans‐Georg, Szczepanik, Dariusz W., Ghadwal, Rajendra S.
Isolation of an Annulated 1,4‐Distibabenzene Diradicaloid
Angewandte Chemie International Edition, Volume 62, Number 19, January 2023
DOI: 10.1002/anie.202216003