N. Segreto, and J. Kästner. Dataset, (2023)Related to: Nico Segreto, Tim M. Schwarz, Carolin A. Dietrich, Patrick Stender, Robin Schuldt, Guido Schmitz, and Johannes Kästner. Understanding the Underlying Field Evaporation Mechanism of Pure Water Tips in High Electrical Fields. J. Phys. Chem. A 2022, 126, 33, 5663-5671. doi: 10.1021/acs.jpca.2c04163.
J. Musso, V. Gramm, S. Stein, W. Frey, and M. Buchmeiser. Dataset, (2023)Related to: Musso, J., Gramm, V., Stein, S., Frey, W. and Buchmeiser, M..R. (2022), Molybdenum Alkylidyne Silyloxy N-Heterocyclic Carbene Complexes - Highly Active Alkyne Metathesis Catalysts that can be Handled in Air. Eur. J. Inorg. Chem. 2023, 26, e202200649. doi: 10.1002/ejic.202200649.
A. Jeltsch, P. Bashtrykov, and S. Adam. Dataset, (2020)Related to: Sabrina Adam, Hiwot Anteneh, Maximilian Hornisch, Vincent Wagner, Jiuwei Lu, Nicole E. Radde, Pavel Bashtrykov, Jikui Song, Albert Jeltsch (2020) DNA sequence-dependent activity and base flipping mechanisms of DNMT1 regulate genome-wide DNA methylation. Nat Commun. 11(1):3723. doi: 10.1038/s41467-020-17531-8.
A. Jeltsch, P. Bashtrykov, and S. Adam. Dataset, (2021)Related to: Adam et al.: Flanking sequences influence the activity of TET1 and TET2 methylcytosine dioxygenases and affect genomic 5hmC patterns. Communications Biology, 5:92 (2022). doi: 10.1038/s42003-022-03033-4.
M. Dyballa. Dataset, (2023)Related to: Dittmann, D., Kaya, E., Dyballa, M., Desilicated ZSM-5 Catalysts: Properties and Ethanol to Aromatics (ETA) Performance. ChemCatChem 2023, e202300716. doi: 10.1002/cctc.202300716.
L. Hückmann, and J. Kästner. Dataset, (2023)Related to: Lukas Hückmann, Dr. Sonia Álvarez-Barcia, Marina Fuhrer, Prof. Dr. Bernd Plietker, and Prof. Dr. Johannes Kästner. Ruthenium-Catalyzed Secondary Amine Formation Studied by Density Functional Theory. ChemCatChem2021,13,1383-1388. doi: 10.1002/cctc.202001588.
P. Srinivasan, D. Demuriya, B. Grabowski, and A. Shapeev. Dataset, (2024)Related to: Srinivasan, P., Demuriya, D., Grabowski, B. et al. Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom. npj Comput Mater 10, 41 (2024). doi: 10.1038/s41524-024-01222-9.
M. Cicac-Hudi. Dataset, (2024)Related to: Zur Synthese und Reaktivität von Imidazoliophosphaniden und Salzen kationischer Imidazoliophosphane - Substitution versus Kondensation.
A. Jeltsch, P. Bashtrykov, L. Dossmann, and M. Emperle. Dataset, (2024)Related to: Dossmann L, Emperle M, Dukatz M, de Mendoza A, Bashtrykov P, Jeltsch A. Specific DNMT3C flanking sequence preferences facilitate methylation of young murine retrotransposons. Communications Biology 7:582 (2024). doi: 10.1038/s42003-024-06252-z.
A. Jeltsch, P. Bashtrykov, and C. Albrecht. Dataset, (2024)Related to: Albrecht, C.; Rajaram, N.; Broche, J.; Bashtrykov, P.; Jeltsch, A. Locus specific and stable DNA demethylation at the H19/IGF2 ICR1 by epigenome editing using a dCas9-SunTag system and the catalytic domain of TET1. Genes 2024, 15(1), 80. doi: 10.3390/genes15010080.
K. Gugeler, and J. Kästner. Dataset, (2023)Related to: Manuel Kirchhof, Katrin Gugeler, Ann-Katrin Beurer, Felix Richard Fischer, Derman Batman, Soeren M. Bauch, Sofia Kolin, Elliot Nicholas, Roland Schoch, Charlotte Vogler, Shravan R. Kousik, Anna Zens, Bernd Plietker, Petia Atanasova, Stefan Naumann, Matthias Bauer, Johanna R. Bruckner, Yvonne Traa, Johannes Kästner and Sabine Laschat. Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis. Catal. Sci. Technol., 2023,13, 3709-3724. doi: 10.1039/D3CY00381G.
T. Giess, S. Itzigehl, J. Range, J. Bruckner, and J. Pleiss. Dataset, (2022)Related to: Giess T., Itzigehl S., Range J. P., Bruckner J. R., Pleiss J., FAIR and scalable management of small-angle X-ray scattering data, 2023. doi: 10.1107/S1600576723001577.
M. Kirchhof. Dataset, (2022)Related to: Carolin Rieg, Manuel Kirchhof, Katrin Gugeler, Ann-Katrin Beurer, Lukas Stein, Klaus Dirnberger, Wolfgang Frey, Johanna R. Bruckner, Yvonne Traa, Johannes Kästner, Sabine Ludwigs, Sabine Laschat, Michael Dyballa. Determination of accessibility and spatial distribution of chiral Rh diene complexes immobilized on SBA-15 via phosphine-based solid-state NMR probe molecules. Catal. Sci. Technol. 2022, Advance Article. doi: 10.1039/d2cy01578a.
M. Buchmeiser, P. Probst, D. Wang, and P. Hauser. Dataset, (2023)Related to: Buchmeiser, M. R., Probst, P., Wang, D., Hauser, P., Stereoselective Ring-Opening Metathesis Polymerization with Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes. Macromol. Chem. Phys. 2023, 224, 2200350. doi: 10.1002/macp.202200350.
M. Buchmeiser, D. Imbrich, D. Wang, and S. Naumann. Dataset, (2023)Related to: Michael R. Buchmeiser, Dominik Imbrich, Dongren Wang, Stefan Naumann. Betainic and ionic tungsten (VI) imido alkylidene N-heterocyclic olefin complexes. J. Organomet. Chem. 2023, 991, 122674. doi: 10.1016/j.jorganchem.2023.122674.
A. Jeltsch, P. Schnee, and J. Pleiss. Software, (2022)Related to: Philipp Schnee, Michel Choudalakis, Sara Weirich, Mina S. Khella, Henrique Carvalho, Jürgen Pleiss & Albert Jeltsch (2022) Mechanistic basis of the increased methylation activity of the SETD2 protein lysine methyltransferase towards a designed super-substrate peptide. Communications Chemistry, 5, 139. doi: 10.1038/s42004-022-00753-w.
A. Jeltsch, P. Bashtrykov, S. Adam, A. Mack, and M. Emperle. Dataset, (2021)Related to: Alexandra Mack, Max Emperle, Philipp Schnee, Sabrina Adam, Jürgen Pleiss, Pavel Bashtrykov, & Albert Jeltsch: Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects. Submitted for publication.
A. Jeltsch, P. Bashtrykov, M. Dukatz, and S. Adam. Dataset, (2022)Related to: Dukatz et al.: "DNA methyltransferase DNMT3A forms interaction networks with the CpG site and flanking sequence elements for efficient methylation", Journal of Biological Chemistry, 2022. doi: 10.1016/j.jbc.2022.102462.
A. Jeltsch, P. Bashtrykov, M. Emperle, S. Adam, and M. Dukatz. Dataset, (2020)Related to: Linfeng Gao, Max Emperle, Hidetaka Uryu, Sara A Grimm, Wendan Ren, Sabrina Adam, Dongliang Chen, Zhi-Min Zhang, Yiran Guo, Jiekai Yin, Michael Dukatz, Hiwot Anteneh, Renata Z. Jurkowska, Jiuwei Lu, Yinsheng Wang, Pavel Bashtrykov, Paul A Wade, Gang Greg Wang, Albert Jeltsch, Jikui Song. Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms. Nat Commun. 2020 Jul 3;11(1):3355. doi: 10.1038/s41467-020-17109-4.
K. Kundu, and M. Buchmeiser. Dataset, (2023)Related to: Koushani Kundu, Janis V. Musso, Mathis J. Benedikter, Wolfgang Frey, Katrin Gugeler, Johannes Kästner, Michael R. Buchmeiser. Neutral and Cationic Molybdenum Imido Alkylidene Cyclic Alkyl Amino Carbene (CAAC) Complexes for Olefin Metathesis. Chem. Eur. J. 2023, e202301818. doi: 10.1002/chem.202301818.
S. Maier. Dataset, (2023)Related to: Maier, Sarah E.; Bunjaku, Osman; Kaya, Elif; Dyballa, Michael; Frey, Wolfgang; Estes, Deven P., Surface immobilized Cu-1,10-phenanthroline complexes with α-aminophosphonate groups in the 5-position as heterogenous catalysts for efficient atom-transfer radical cyclizations. Dalton Trans. 52 (2023), pp. 8442-8448. doi: 10.1039/D3DT01467C.
A. Jeltsch, P. Schnee, and J. Pleiss. Software, (2022)Related to: Alexandra Mack, Max Emperle, Philipp Schnee, Sabrina Adam, Jürgen Pleiss, Pavel Bashtrykov, & Albert Jeltsch: Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects. Submitted for publication.
P. Walther, A. Krauß, and S. Naumann. Dataset, (2023)Related to: Patrick Walther, Annabelle Krauß, Dr. Stefan Naumann, Lewis Pair Polymerization of Epoxides via Zwitterionic Species as a Route to High-Molar-Mass Polyethers, Angewandte Chemie 2019 58 (31), 10737-10741. doi: 10.1002/anie.201904806.
K. Gugeler, and J. Kästner. Dataset, (2023)Related to: Koushani Kundu, Janis V. Musso, Mathis J. Benedikter, Wolfgang Frey, Katrin Gugeler, Johannes Kästner and Michael R.Buchmeiser. Neutral and Cationic Molybdenum Imido Alkylidene Cyclic Alkyl Amino Carbene (CAAC) Complexes for Olefin Metathesis. Chem. Eur. J. 2023, e202301818. doi: 10.1002/chem.202301818.
M. Benedikter. Dataset, (2021)Related to: M. J. Benedikter, J. V. Musso, W. Frey, R. Schowner, M. R. Buchmeiser, Group VI Metal Imido Alkylidene N-Heterocyclic Carbene Nitrile Complexes: Bench-Stable, Functional-Group-Tolerant Olefin Metathesis Catalysts. Angew. Chem. Int. Ed. 2021, 60, 1374. doi: 10.1002/anie.202011666.
P. Hauser, W. Frey, and M. Buchmeiser. Dataset, (2021)Related to: Philipp M. Hauser, Katrin Gugeler, Wolfgang Frey, Johannes Kästner, and Michael R. Buchmeiser. Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes. Organometallics 2021 40 (23), 4026-4034. doi: 10.1021/acs.organomet.1c00577.
C. Lohoff. Dataset, (2020)Related to: Lohoff C., Buchholz P. C. F., Le Roes-Hill M. & Pleiss J. (2020). The Expansin Engineering Database: a navigation and classification tool for expansins and homologues. Proteins: Structure, Function, and Bioinformatics 89:2. doi: 10.1002/prot.26001.
C. Lohoff. Dataset, (2020)Related to: Lohoff C., Buchholz P. C. F., Le Roes-Hill M. & Pleiss J. (2020). The Expansin Engineering Database: a navigation and classification tool for expansins and homologues. Proteins: Structure, Function, and Bioinformatics 89:2. doi: 10.1002/prot.26001.
P. Buchholz. Dataset, (2021)Related to: Patrick C. F. Buchholz, Bert van Loo, Bernard D. G. Eenink, Erich Bornberg-Bauer, Jürgen Pleiss: "Ancestral sequences of a large promiscuous enzyme family correspond to bridges in sequence space in a network representation" (submitted).
M. Deimling. Dataset, (2021)Related to: M. Deimling, S. R. Kousik, K. Abitaev, W. Frey, T. Sottmann, K. Koynov, S. Laschat, P. Atanasova (2021): Hierarchical Silica Inverse Opals as a Catalyst Support for Asymmetric Molecular Heterogeneous Catalysis with Chiral Rh-diene Complexes, ChemCatChem. doi: 10.1002/cctc.202001997.
M. Benedikter. Dataset, (2021)Related to: Mathis Benedikter, Janis Musso, Manoj K. Kesharwani, K. Leonard Sterz, Iris Elser, Felix Ziegler, Felix Fischer, Bernd Plietker, Wolfgang Frey, Johannes Kästner, Mario Winkler, Joris van Slageren, Michal Nowakowski, Matthias Bauer, and Michael R. Buchmeiser, Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach. ACS Catalysis 2020 10 (24), 14810-14823. doi: 10.1021/acscatal.0c03978.
M. Dyballa. Dataset, (2020)Related to: Felix Ziegler, Johannes Teske, Iris Elser, Michael Dyballa, Wolfgang Frey, Hamzeh Kraus, Niels Hansen, Julia Rybka, Ulrich Tallarek, and Michael R. Buchmeiser Journal of the American Chemical Society 2019 141 (48), 19014-19022. doi: 10.1021/jacs.9b08776.
M. Momin, J. Musso, W. Frey, and M. Buchmeiser. Dataset, (2021)Related to: Mohasin Momin, Janis V. Musso, Wolfgang Frey, and Michael R. Buchmeiser. Tuning the Latent Behavior of Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes in Dicyclopentadiene Polymerization, Organometallics 2021, 40, 2, 253-265. doi: 10.1021/acs.organomet.0c00740.
C. Dietrich, P. Collings, T. Sottmann, P. Rudquist, and F. Giesselmann. Dataset, (2020)Related to: Clarissa F. Dietrich, Peter J. Collings, Thomas Sottmann, Per Rudquist, and Frank Giesselmann, "Extremely Small Twist Elastic Constants in Lyotropic Nematic Liquid Crystals", Proceedings of the National Academy of Sciences of the United States of America (PNAS), 2020. doi: 10.1073/pnas.1922275117.
J. Musso, R. Schowner, L. Falivene, L. Cavallo, and M. Buchmeiser. Dataset, (2021)Related to: Musso, J.V., Schowner, R., Falivene, L., Frey, W., Cavallo, L. and Buchmeiser, M.R. (2021), Predicting Catalytic Activity from 13CCH Alkylidene Chemical Shift in Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes. ChemCatChem. doi: 10.1002/cctc.202101510.
M. Benedikter. Dataset, (2021)Related to: J. De Jesus Silva, D. Mance, M. Pucino, M. J. Benedikter, I. Elser, M. R. Buchmeiser, C. Copéret, Helv. Chim. Acta 2020, 103, e2000161. doi: 10.1002/hlca.202000161.
J. Groos, P. Hauser, M. Koy, W. Frey, and M. Buchmeiser. Dataset, (2021)Related to: Groos, Jonas; Hauser, Philipp Manuel; Koy, Maximilian; Frey, Wolfgang; Buchmeiser, Michael Rudolf. Highly Reactive Cationic Molybdenum Alkylidyne N-Heterocyclic Carbene Catalysts for Alkyne Metathesis, Organometallics 2021, 40, 8, 1178-1184. doi: 10.1021/acs.organomet.1c00175.
C. Rieg. Dataset, (2021)Related to: C.Rieg, Z.Li, A.Kurtz, M.Schmidt, D.Dittmann, M.Benz, M.Dyballa, A method for the selective quantification of Bronsted acid sites on external surfaces and in mesopores of hierarchical zeolites, J. Phys. Chem. C 2021, 125, 515-525. doi: 10.1021/acs.jpcc.0c09384.
K. Gugeler, and J. Kästner. Dataset, (2022)Related to: Manuel Kirchhof, Karina Abitaev, Abdulwahab Abouhaileh, Katrin Gugeler, Wolfgang Frey, Anna Zens, Johannes Kästner, Thomas Sottmann, Sabine Laschat. Interplay of Polarity and Confinement in Asymmetric Catalysis with Chiral Rh Diene Complexes in Microemulsions. Chem. Eur. J. 2021, 27, 16853-16870. doi: 10.1002/chem.202102752.
A. Jeltsch, P. Schnee, J. Pleiss, and S. Weirich. Software, (2024)Related to: Weirich S, Kusevic D, Schnee P, Reiter J, Pleiss J & Jeltsch A. Discovery of new NSD2 non-histone substrates and design of a super-substrate. Communications Biology 7:707 (2024). doi: 10.1038/s42003-024-06395-z.
A. Singha Hazari, S. Chandra, Q. Song, D. Hunger, N. Neuman, J. Slageren, E. Klemm, B. Sarkar, and S. Kar. Dataset, (2024)Related to: Chandra, S., Singha Hazari, A., Song, Q., Hunger, D., Neuman, N. I., van Slageren, J., Klemm, E. & Sarkar, B. (2023). Remarkable Enhancement of Catalytic Activity of Cu-Complexes in the Electrochemical Hydrogen Evolution Reaction by Using Triply Fused Porphyrin. ChemSusChem 16, e202201146. doi: 10.1002/cssc.202201146.
C. Rieg, and M. Dyballa. Dataset, (2023)Related to: Carolin Rieg, Manuel Kirchhof, Katrin Gugeler, Ann-Katrin Beurer, Lukas Stein, Klaus Dirnberger, Wolfgang Frey, Johanna R. Bruckner, Yvonne Traa, Johannes Kästner, Sabine Ludwigs, Sabine Laschat, Michael Dyballa. Determination of accessibility and spatial distribution of chiral Rh diene complexes immobilized on SBA-15 via phosphine-based solid-state NMR probe molecules. Catal. Sci. Technol. 2022, Advance Article. doi: 10.1039/D2CY01578A.
V. Zaverkin, D. Holzmüller, L. Bonfirraro, and J. Kästner. Dataset, (2023)Related to: Viktor Zaverkin, David Holzmüller, Luca Bonfirraro, Johannes Kästner. Transfer learning for chemically accurate interatomic neural network potentials, Phys. Chem. Chem. Phys., 2023, 25, 5383-5396. doi: 10.1039/D2CP05793J.
R. Peters. Dataset, (2023)Related to: Hans, A. C., Becker, P. M., Haußmann, J., Suhr, S., Wanner, D. M., Lederer, V., Willig, F., Frey, W., Sarkar, B., Kästner, J., Peters, R., A Practical and Robust Zwitterionic Cooperative Lewis Acid/Acetate/Benzimidazolium Catalyst for Direct 1,4-Additions, Angew. Chem. Int. Ed. 2023, 62, e202217519. doi: 10.1002/anie.202217519.
I. Elser, R. Schowner, L. Stöhr, K. Herz, M. Benedikter, S. Sen, W. Frey, D. Wang, and M. Buchmeiser. Dataset, (2023)Related to: Iris Elser, Roman Schowner, Laura Stöhr, Katharina Herz, Mathis J. Benedikter, Suman Sen, Wolfgang Frey, Dongren Wang, and Michael R. Buchmeiser. Isomers of Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes. Organometallics 2022 41 (10), 1232-1248. doi: 10.1021/acs.organomet.2c00129.
A. Jeltsch, P. Bashtrykov, and S. Adam. Dataset, (2023)Related to: Sabrina Adam, Viviane Klingel, Nicole E Radde, Pavel Bashtrykov, Albert Jeltsch (2023) On the accuracy of the epigenetic copy machine: comprehensive specificity analysis of the DNMT1 DNA methyltransferase. Nucleic Acids Research, gkad465. doi: 10.1093/nar/gkad465.
M. Dyballa. Dataset, (2023)Related to: Peters, S., Rieg, C., Bartling, S., Parlinska-Wojtan, M., Dyballa, M., Wohlrab, S., Abdel-Mageed, A. M., Accessibility of Reactants and Neighborhood of Mo Species during Methane Aromatization Uncovered by Operando NAP-XPS and MAS NMR. ACS Catalysis 2023, 13, 13056-13070. doi: 10.1021/acscatal.3c02385.