A. Jeltsch, P. Bashtrykov, L. Dossmann, und M. Emperle. Dataset, (2024)Related to: Dossmann et al.: Specific DNMT3C flanking sequence preferences facilitate methylation of young murine retrotransposons. Submitted for publication.
K. Endo, A. Raza, L. Yao, S. Gele, A. Rodríguez-Camargo, H. Vignolo-González, L. Grunenberg, und B. Lotsch. Dataset, (2024)Related to: K. Endo, A. Raza, L. Yao, S. Van Gele, A. Rodríguez-Camargo, H. A. Vignolo-González, L. Grunenberg, B. V. Lotsch, Downsizing Porphyrin Covalent Organic Framework Particles Using Protected Precursors for Electrocatalytic CO2 Reduction. Adv. Mater. 2024, 2313197. doi: 10.1002/adma.202313197.
A. Singha Hazari, S. Chandra, Q. Song, D. Hunger, N. Neuman, J. Slageren, E. Klemm, B. Sarkar, und 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.
A. Jeltsch, P. Bashtrykov, und 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.
P. Srinivasan, D. Demuriya, B. Grabowski, und 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. Häußler. Dataset, (2024)Related to: Häussler M, Prins A, Le Roes-Hill M, Wittig U, Pleiss, J. (2024) EnzymeML-based modeling workflow: from raw data to kinetic parameters. ChemCatChem.
M. Buchmeiser, D. Wang, R. Schowner, L. Stöhr, F. Ziegler, S. Sen, und W. Frey. Dataset, (2024)Related to: M. R. Buchmeiser, D. Wang, R. Schowner, L. Stöhr, F. Ziegler, S. Sen, W. Frey,; Synthetic and Structural Peculiarities of Neutral and Cationic Molybdenum Imido and Tungsten Oxo Alkylidene Complexes Bearing Weakly Coordinating N-Heterocyclic Carbenes; Eur. J. Inorg. Chem., in press (2024). doi: 10.1002/ejic.202400082.
P. Probst, J. Groos, D. Wang, K. Gugeler, A. Beck, J. Kästner, W. Frey, und M. Buchmeiser. Dataset, (2024)Related to: Patrick Probst, Jonas Groos, Dongren Wang, Alexander Beck, Katrin Gugeler, Johannes Kästner, Wolfgang Frey, and Michael R. Buchmeiser, Stereoselective Ring Expansion Metathesis Polymerization with Cationic Molybdenum Alkylidyne N-Heterocyclic Carbene Complexes, Journal of the American Chemical Society 2024 146 (12), 8435-8446. doi: 10.1021/jacs.3c14457.
K. Abitaev, Y. Qawasmi, P. Atanasova, C. Dargel, T. Hellweg, und T. Sottmann. Dataset, (2024)Related to: Abitaev, Karina; Qawasmi, Yaseen; Atanasova, Petia; Dargel, Carina; Bill, Joachim; Hellweg, Thomas; Sottmann, Thomas: Adjustable polystyrene nanoparticle templates for the production of mesoporous foams and ZnO inverse opals. In: Colloid and Polymer Science 299 (2021), 243-258. doi: 10.1007/s00396-020-04791-5.
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, und 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.
J. Jung, P. Srinivasan, A. Forslund, und B. Grabowski. Dataset, (2023)Related to: J. H. Jung, P. Srinivasan, A. Forslund, and B. Grabowski, "High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials", npj Comput. Mater. 9, 3 (2023). doi: 10.1038/s41524-022-00956-8.
P. Panyam, und M. Buchmeiser. Dataset, (2023)Related to: Pradeep K. R. Panyam and Michael R. Buchmeiser. Effect of liquid confinement on regioselectivity in the hydrosilylation of alkynes with cationic Rh(I) N-heterocyclic carbene catalysts. Faraday Discuss., 2023, 244, 39-50. doi: 10.1039/d2fd00152g.
N. Segreto, und 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, und 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.
J. Jung, A. Forslund, P. Srinivasan, und B. Grabowski. Dataset, (2023)Related to: J. H. Jung, A. Forslund, P. Srinivasan, and B. Grabowski, Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition, Phys. Rev. B 108, 184107 (2023). doi: 10.1103/PhysRevB.108.184107.
K. Gugeler, und 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. Buchmeiser, P. Probst, D. Wang, und 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, und 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.
P. Walther, A. Krauß, und 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. Kundu, und 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.
K. Gugeler, und 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.
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. Forslund, J. Jung, P. Srinivasan, und B. Grabowski. Dataset, (2023)Related to: A. Forslund, J. H. Jung, P. Srinivasan, and B. Grabowski, Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals, Phys. Rev. B 107, 174309 (2023). doi: 10.1103/PhysRevB.107.174309.
C. Rieg, und 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, und 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.
A. Jeltsch, P. Bashtrykov, und N. Rajaram. Dataset, (2023)Related to: Rajaram N, Kouroukli AG, Bens S, Bashtrykov P, Jeltsch A. (2023) Development of super-specific epigenome editing by targeted allele-specific DNA methylation. Epigenetics & Chromatin 16, 41. doi: 10.1186/s13072-023-00515-5.
S. Klostermann, und J. Kästner. Dataset, (2023)Related to: Marc Schnierle, Sina Klostermann, Elif Kaya, Zheng Li, Daniel Dittmann, Carolin Rieg, Deven P. Estes, Johannes Kästner, Mark R. Ringenberg, and Michael Dyballa. How Solid Surfaces Control Stability and Interactions of Supported Cationic Cu^I(dppf) Complexes - A Solid-State NMR Study. Inorg. Chem. 2023, 62, 19, 7283-7295. doi: 10.1021/acs.inorgchem.3c00351.
A. Jeltsch, P. Bashtrykov, und 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.
C. Vogler. Dataset, (2023)Related to: Charlotte Vogler, Stefan Naumann. A simplified approach for the metal-free polymerization of propylene oxide. RSC Advances, 2020, 10, 43389-43393. doi: 10.1039/d0ra08970b.
M. Dyballa. Dataset, (2023)Related to: Dittmann, D.; Kaya, E.; Strassheim, D.; Dyballa, M. Influence of ZSM-5 Crystal Size on Methanolto-Olefin (MTO) vs. Ethanol-to-Aromatics (ETA) Conversion.Molecules 2023, 28, 8046. doi: 10.3390/molecules28248046.
S. Emmerling, F. Ziegler, F. Fischer, R. Schoch, M. Bauer, B. Plietker, M. Buchmeiser, und B. Lotsch. Dataset, (2023)Related to: Sebastian T. Emmerling, Felix Ziegler, Felix R. Fischer, Roland Schoch, Matthias Bauer, Bernd Plietker, Michael R. Buchmeiser, and Bettina V. Lotsch. Olefin Metathesis in Confinement: Towards Covalent Organic Framework Scaffolds for Increased Macrocyclization Selectivity. Chem. Eur. J. 2022, 28, e2021041. doi: 10.1002/chem.202104108.
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.
S. Klostermann, und J. Kästner. Dataset, (2023)Related to: Erik J. Wimmer, Sina V. Klostermann, Mark Ringenberg, Johannes Kästner, Deven P. Estes. Oxo-Bridged Zr dimers as well-defined models of oxygen vacancies on ZrO2. European Journal of Inorganic Chemistry 2023, 26, e202200709. doi: 10.1002/ejic.202200709.
I. Elser, R. Schowner, L. Stöhr, K. Herz, M. Benedikter, S. Sen, W. Frey, D. Wang, und 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.
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.
A. Beurer, S. Dieterich, H. Solodenko, E. Kaya, N. Merdanoǧlu, G. Schmitz, Y. Traa, und J. Bruckner. Dataset, (2023)Related to: Ann-Katrin Beurer, Sonja Dieterich, Helena Solodenko, Elif Kaya, Naǧme Merdanoǧlu, Guido Schmitz, Yvonne Traa, Johanna R. Bruckner, "Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy", Microporous and Mesoporous Materials, Volume 354, 15 April 2023, 112508. doi: 10.1016/j.micromeso.2023.112508.
F. Markus, J. Bruckner, und S. Naumann. Dataset, (2023)Related to: F. Markus, J. R. Bruckner, S. Naumann, Controlled Synthesis of “Reverse Pluronic”-Type Block Copolyethers with High Molar Masses for the Preparation of Hydrogels with Improved Mechanical Properties. Macromol. Chem. Phys. 2020, 1900437. doi: 10.1002/macp.201900437.
F. Markus, C. Vogler, J. Bruckner, und S. Naumann. Dataset, (2023)Related to: F. Markus, C. Vogler, J. R. Bruckner, S. Naumann, Ordered Mesoporous Carbons via Self-Assembly of Tailored Block Copolyethers for Pore Size-Dependent Applications. ACS Applied Nano Materials 2021, 4, 4, 3486-3492. doi: 10.1021/acsanm.0c03467.
K. Gugeler, und J. Kästner. 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 and 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. 13, 410-425, 2023. doi: 10.1039/d2cy01578a.
X. Xu. Dataset, (2023)Related to: Xu, Xiang, Xi Zhang, Andrei Ruban, Siegfried Schmauder, and Blazej Grabowski. "Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al." Acta Materialia 255 (2023): 118986. doi: 10.1016/j.actamat.2023.118986.
S. Ravishankar Kousik. Dataset, (2023)Related to: Shravan R. Kousik, Felix Ziegler, Diane Sipp, Andrés Rodríguez-Camargo, Helena Solodenko, Wenzel Gassner, Guido Schmitz, Bettina V. Lotsch, Michael R. Buchmeiser, Kaloian Koynov, and Petia Atanasova, Imaging the Permeability and Passivation Susceptibility of SiO2 Nanosphere-Based Mesoporous Supports for Molecular Heterogeneous Catalysis under Confinement, ACS Applied Nano Materials 2022 5 (10), 14733-14745. doi: 10.1021/acsanm.2c03057.
F. Ziegler, J. Bruckner, M. Nowakowski, M. Bauer, P. Probst, B. Atwi, und M. Buchmeiser. Dataset, (2023)Related to: Ziegler, F., Bruckner, J. R., Nowakowski, M., Bauer, M., Probst, P., Atwi, B., Buchmeiser, M. R., Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo Alkylidene N-Heterocyclic Carbene Complexes. ChemCatChem 2023, e202300871. doi: 10.1002/cctc.202300871.
A. Jeltsch, P. Schnee, M. Khella, S. Weirich, J. Pleiss, und P. Bashtrykov. Software, (2023)Related to: Mina S. Khella, Philipp Schnee, Sara Weirich, Tan Bui, Alexander Bröhm, Pavel Bashtrykov, Jürgen Pleiss, Albert Jeltsch: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation. J Biol Chem, 2023, 5, 104796. doi: 10.1016/j.jbc.2023.104796.
A. Jeltsch, und J. Broche. Dataset, (2023)Related to: Broche et al., Genome-wide deposition of 6-methyladenine in human DNA reduces the viability of HEK293 cells and directly influences gene expression, Communications Biology, in press.
H. Acikalin, P. Panyam, W. Shaikh, D. Wang, S. Ravishankar Kousik, P. Atanasova, und M. Buchmeiser. Dataset, (2023)Related to: Hande Acikalin, Pradeep K. R. Panyam, Abdul Wasif Shaikh, Dongren Wang, Shravan R. Kousik, Petia Atanasova, Michael R. Buchmeiser. Hydrosilylation of Alkynes Under Continuous Flow Using Polyurethane-Based Monolithic Supports with Tailored Mesoporosity. Macromol. Chem. Phys. 2023, 224, 2200234. doi: 10.1002/macp.202200234.
D. Holzmüller, V. Zaverkin, J. Kästner, und I. Steinwart. Software, (2023)Related to: David Holzmüller, Viktor Zaverkin, Johannes Kästner, and Ingo Steinwart. A Framework and Benchmark for Deep Batch Active Learning for Regression, 2023. arXiv: 2203.09410.
S. Emmerling, R. Schuldt, S. Bette, L. Yao, R. Dinnebier, J. Kästner, und B. Lotsch. Dataset, (2023)Related to: Sebastian T. Emmerling, Robin Schuldt, Sebastian Bette, Liang Yao, Robert E. Dinnebier, Johannes Kästner, and Bettina V. Lotsch. Interlayer Interactions as Design Tool for Large-Pore COFs. J. Am. Chem. Soc. 2021, 143 (38), 15711-15722. doi: 10.1021/jacs.1c06518.
M. Dyballa. Dataset, (2023)Related to: Schnierle, M.; Klostermann, S.; Kaya, E.; Li, Z.; Dittmann, D.; Rieg, C.; Estes, D. P.; Kästner, J.; Ringenberg, M. R.; Dyballa, M., How Solid Surfaces Control Stability and Interactions of Supported Cationic CuI(dppf) Complexes - A Solid-State NMR Study. Inorganic Chemistry 2023, 62, 19. doi: 10.1021/acs.inorgchem.3c00351.
L. Yao, A. Rodríguez-Camargo, M. Xia, D. Mücke, R. Guntermann, Y. Liu, L. Grunenberg, A. Jiménez-Solano, S. Emmerling, V. Duppel und 6 andere Autor(en). Dataset, (2023)Related to: Liang Yao, Andrés Rodríguez-Camargo, Meng Xia, David Mücke, Roman Guntermann, Yongpeng Liu, Lars Grunenberg, Alberto Jiménez-Solano, Sebastian T. Emmerling, Viola Duppel, Kevin Sivula, Thomas Bein, Haoyuan Qi, Ute Kaiser, Michael Grätzel, and Bettina V. Lotsch. Covalent Organic Framework Nanoplates Enable Solution-Processed Crystalline Nanofilms for Photoelectrochemical Hydrogen Evolution. J. Am. Chem. Soc. 2022, 144(23), 10291-10300. doi: 10.1021/jacs.2c01433.
M. Dyballa. Dataset, (2023)Related to: Daniel Dittmann, Carolin Rieg, Zheng Li, Elif Kaya, and Michael Dyballa. Better Performance in C2-Conversion to Aromatics by Optimized Feed and Catalysts.Energy & Fuels 2023 37 (6), 4566-4579. doi: 10.1021/acs.energyfuels.3c00356.
D. Häussermann. Dataset, (2023)Related to: Häussermann, D.; Schömig, R.; Gehring, B.; Traa, Y. Influence of the Synthesis Protocol on the Catalytic Performance of PHI-Type Zeolites for the Dehydration of Lactic Acid. Catalysts 2023, 13, 261. doi: 10.3390/catal13020261.
J. Groos, M. Koy, J. Musso, M. Neuwirt, T. Pham, P. Hauser, W. Frey, und M. Buchmeiser. Dataset, (2023)Related to: Jonas Groos, Maximilian Koy, Janis Musso, Michael Neuwirt, Thao Pham, Philipp M. Hauser, Wolfgang Frey, and Michael R. Buchmeiser. Ligand Variations in Neutral and Cationic Molybdenum Alkylidyne NHC Catalysts. Organometallics, 41, 1167-1183 (2022). doi: 10.1021/acs.organomet.2c00080.
E. Goldstein, M. Buchmeiser, F. Ziegler, A. Beurer, Y. Traa, und J. Bruckner. Dataset, (2023)Related to: Elizabeth L. Goldstein, Felix Ziegler, Ann-Katrin Beurer, Yvonne Traa, Johanna R. Bruckner, and Michael R. Buchmeiser, Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes Confined in Mesoporous Silica: Tuning Transition States Towards Z-Selective Ring-Opening Cross-Metathesis, ChemCatChem 2022, 14, e202201008. doi: 10.1002/cctc.202201008.
R. Peters. Dataset, (2023)Related to: Wanner, D. M., Becker, P. M., Suhr, S., Wannenmacher, N., Ziegler, S., Herrmann, J., Willig, F., Gabler, J., Jangid, K., Schmid, J., Hans, A. C., Frey, W., Sarkar, B., Kästner, J., Peters, R., Cooperative Lewis Acid-1,2,3-Triazolium-Aryloxide Catalysis: Pyrazolone Addition to Nitroolefins as Entry to Diaminoamides, Angew. Chem. Int. Ed. 2023, 62, e202307317. doi: 10.1002/anie.202307317.
M. Gültig, J. Range, B. Schmitz, und J. Pleiss. Software, (2022)Related to: Gültig, M., Range, J. P., Schmitz, B., & Pleiss, J. (2022). Integration of Simulated and Experimentally Determined Thermophysical Properties of Aqueous Mixtures by ThermoML. Journal of Chemical & Engineering Data,. doi: 10.1021/acs.jced.2c00391.
M. Gültig, J. Range, B. Schmitz, und J. Pleiss. Software, (2022)Related to: Gültig, M., Range, J. P., Schmitz, B., & Pleiss, J. (2022). Integration of Simulated and Experimentally Determined Thermophysical Properties of Aqueous Mixtures by ThermoML. Journal of Chemical & Engineering Data,. doi: 10.1021/acs.jced.2c00391.
M. Gültig, J. Range, B. Schmitz, und J. Pleiss. Software, (2022)Related to: Derlacki, Z. J., Easteal, A. J., Edge, A. V. J., Woolf, L. A., & Roksandic, Z. (1985). Diffusion coefficients of methanol and water and the mutual diffusion coefficient in methanol-water solutions at 278 and 298 K. The Journal of Physical Chemistry, 89(24), 5318-5322. doi: 10.1021/j100270a039.
M. Gültig, J. Range, B. Schmitz, und J. Pleiss. Software, (2022)Related to: D’Errico, G., Ortona, O., Capuano, F., & Vitagliano, V. (2004). Diffusion Coefficients for the Binary System Glycerol + Water at 25 °C. A Velocity Correlation Study. Journal of Chemical & Engineering Data, 49(6), 1665-1670. doi: 10.1021/je049917u.
M. Gültig, J. Range, B. Schmitz, und J. Pleiss. Software, (2022)Related to: Gültig, M., Range, J. P., Schmitz, B., & Pleiss, J. (2022). Integration of Simulated and Experimentally Determined Thermophysical Properties of Aqueous Mixtures by ThermoML. Journal of Chemical & Engineering Data,. doi: 10.1021/acs.jced.2c00391.
P. Panyam, B. Atwi, F. Ziegler, W. Frey, M. Nowakowski, M. Bauer, und M. Buchmeiser. Dataset, (2022)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.
Z. Li. Dataset, (2022)Related to: Li, Z.; Dittmann, D.; Rieg, C.; Benz, M.; Dyballa, M. Confinement and surface sites control methanol adsorbate stability on MFI zeolites, SBA-15, and a silica-supported heteropoly acid. Catalysis Science & Technology 2022, 12 (7), 2265-2277. doi: 10.1039/d1cy02330f.
K. Gugeler, und J. Kästner. Dataset, (2022)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.
K. Gugeler, und 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.
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.
A. Jeltsch, P. Schnee, und 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.
A. Jeltsch, P. Schnee, und 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, M. Dukatz, und 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.
T. Giess, S. Itzigehl, J. Range, J. Bruckner, und 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.
C. Rieg, D. Dittmann, Z. Li, A. Kurtz, E. Kaya, S. Peters, B. Kunkel, M. Parlinska-Wojtan, S. Wohlrab, A. Abdel-Mageed und 1 andere Autor(en). Dataset, (2022)Related to: Rieg, Carolin; Dittmann, Daniel; Li, Zheng; Kurtz, Alan; Kaya, Elif; Peters, Stefan; Kunkel, Benny; Parlinska-Wojtan, Magdalena; Wohlrab, Sebastian; Abdel-Mageed, Ali; Dyballa, Michaell. Introducing a Novel Method for Probing Accessibility, Local Environment and Spatial Distribution of Oxidative Sites on Solid Catalysts using Trimethylphosphine. Journal of Physical Chemistry C 2022, 126, 13213-13223. doi: 10.1021/acs.jpcc.2c04114.
C. Vogler, S. Naumann, und J. Bruckner. Dataset, (2022)Related to: Charlotte Vogler, Stefan Naumann and Johanna R. Bruckner, Predictive design of ordered mesoporous silica with well-defined, ultra-large mesopores, Mol. Syst. Des. Eng., 2022. doi: 10.1039/D2ME00107A.
J. Musso, J. Silva, M. Benedikter, J. Groos, W. Frey, C. Coperet, und M. Buchmeiser. Dataset, (2022)Related to: Janis V. Musso, Jordan De Jesus Silva, Mathis J. Benedikter, Jonas Groos, Wolfgang Frey, Christophe Copéret and Michael R. Buchmeiser. Cationic molybdenum oxo alkylidenes stabilized by N-heterocyclic carbenes: from molecular systems to efficient supported metathesis catalysts, Chem. Sci, 2022. doi: 10.1039/d2sc03321f.
C. Keßler, R. Schuldt, S. Emmerling, B. Lotsch, J. Kästner, J. Groß, und N. Hansen. Dataset, (2022)Related to: Kessler, Christopher; Schuldt, Robin, Emmerling, Sebastian; Lotsch, Bettina, Kästner, Johannes; Gross, Joachim, Hansen, Niels: Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study. Microporous and Mesoporous Materials 336 (2022), 111796. doi: 10.1016/j.micromeso.2022.111796.
M. Gültig, J. Range, B. Schmitz, und J. Pleiss. Software, (2022)Related to: Mikhail, S. Z., & Kimel, W. R. (1961). Densities and Viscosities of Methanol-Water Mixtures. Journal of Chemical & Engineering Data, 6(4), 533-537. doi: 10.1021/je60011a015.
M. Gültig, J. Range, B. Schmitz, und J. Pleiss. Software, (2022)Related to: Segur, J. B., & Oberstar, H. E. (1951). Viscosity of Glycerol and Its Aqueous Solutions. Industrial & Engineering Chemistry, 43(9), 2117-2120. doi: 10.1021/ie50501a040.
M. Gültig, J. Range, B. Schmitz, und J. Pleiss. Software, (2022)Related to: Cristancho, D., Delgado, D., Martínez, F., Abolghassemi Fakhree, M. A., & Jouyban, A. (2011). Volumetric properties of glycerol + water mixtures at several temperatures and correlation with the Jouyban-Acree model. Revista Colombiana de Ciencias Químico Farmacéuticas, 40. 92-115.
A. Beurer. Dataset, (2022)Related to: A.-K. Beurer, J. R. Bruckner, Y. Traa. Influence of the Template Removal Method on the Mechanical Stability of SBA-15. Chemestry Open 2021 10, 1123-1128. doi: 10.1002/open.202100225.
D. Holzmüller, V. Zaverkin, J. Kästner, und I. Steinwart. Software, (2022)Related to: David, Holzmüller, Viktor Zaverkin, Johannes Kästner, and Ingo Steinwart. A Framework and Benchmark for Deep Batch Active Learning for Regression, 2022. arXiv: 2203.09410.
M. Kirchhof. 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, 68, 16853-16870. doi: 10.1002/chem.202102752.
D. Holzmüller, V. Zaverkin, J. Kästner, und I. Steinwart. Software, (2022)Related to: David Holzmüller, Viktor Zaverkin, Johannes Kästner, and Ingo Steinwart. A Framework and Benchmark for Deep Batch Active Learning for Regression, 2022. arXiv: 2203.09410.
M. Gültig, J. Range, B. Schmitz, und J. Pleiss. Software, (2022)Related to: González, B., Calvar, N., Gómez, E., & Domínguez, Á. (2007). Density, dynamic viscosity, and derived properties of binary mixtures of methanol or ethanol with water, ethyl acetate, and methyl acetate at T=(293.15, 298.15, and 303.15)K. The Journal of Chemical Thermodynamics, 39(12), 1578-1588. doi: 10.1016/j.jct.2007.05.004.
M. Gültig, J. Range, B. Schmitz, und J. Pleiss. Software, (2022)Related to: Gültig, M., Range, J. P., Schmitz, B., & Pleiss, J. (2022). Integration of Simulated and Experimentally Determined Thermophysical Properties of Aqueous Mixtures by ThermoML. Journal of Chemical & Engineering Data,. doi: 10.1021/acs.jced.2c00391.
A. Jeltsch, P. Bashtrykov, und 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.
C. Rieg. Dataset, (2021)Related to: C. Rieg, D. Dittmann, Z. Li, R. Lawitzki, K. Gugeler, S. Maier, G. Schmitz, J. Kästner, D. P. Estes, M. Dyballa, Quantitative Distinction between Noble Metals Located in Mesopores from Those on the External Surface. Chemistry - A Eurorean Journal 2021. doi: 10.1002/chem.202102076.
J. Bruckner, und A. Beurer. Dataset, (2021)Related to: Johanna R. Bruckner, Jessica Bauhof, Jacqueline Gebhardt, Ann-Katrin Beurer, Yvonne Traa, and Frank Giesselmann. Mechanisms and Intermediates in the True Liquid Crystal Templating Synthesis of Mesoporous Silica Materials. J. Phys. Chem. B 2021, 125, 12, 3197-3207. doi: 10.1021/acs.jpcb.0c11005.
H. Acikalin, F. Ziegler, und M. Buchmeiser. Dataset, (2021)Related to: H. Acikalin, F. Ziegler, D. Wang, M. R. Buchmeiser, A Hard Templating Approach to Functional Mesoporous Poly(norborn-2-ene)-Based Monolithic Supports. Macromolecular Chemistry and Physics, 2021, 222, 2100247. doi: 10.1002/macp.202100247.
J. Kästner, M. Kesharwani, I. Elser, J. Musso, und M. Buchmeiser. Dataset, (2021)Related to: Kesharwani, M. K., Elser, I., Musso, J. V., Buchmeiser, M. R., & Kästner, J. “Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst.” Organometallics 39, 3146-3159 (2020). doi: 10.1021/acs.organomet.0c00311.
J. Kästner, und M. Kesharwani. Dataset, (2021)Related to: Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-Ray, XAS, XES, DFT, Mössbauer and Catalysis Approach. 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. ACS Catalysis 2020, 10, 24, 14810-14823. doi: 10.1021/acscatal.0c03978.
P. Buchholz. Dataset, (2021)Related to: Patrick C. F. Buchholz, Bert van Loo, Bernard D. G. Eenink, Erich Bornberg-Bauer, Jürgen Pleiss: Äncestral sequences of a large promiscuous enzyme family correspond to bridges in sequence space in a network representation" (submitted).
P. Buchholz. Dataset, (2021)Related to: Orlando M., Buchholz P. C. F., Lotti M. & Pleiss J. (2020). The GH19 Engineering Database: an extended classification system for exploring the properties of sequence space and protein evolution. (submitted).
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. Momin, J. Musso, W. Frey, und 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.
J. Musso, R. Schowner, L. Falivene, L. Cavallo, und 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.