K. Abitaev, Y. Qawasmi, P. Atanasova, C. Dargel, T. Hellweg, and 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.
H. Acikalin, P. Panyam, W. Shaikh, D. Wang, S. Ravishankar Kousik, P. Atanasova, and 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.
H. Acikalin, F. Ziegler, and 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.
P. Atanasova. Dataset, (2021)Related to: Petia Atanasova, Maofeng Dou, Shravan R. Kousik, Joachim Bill and Maria Fyta. Adsorption of azide-functionalized thiol linkers on zinc oxide surfaces. RSC Adv., 2021,11,5466-5478. doi: 10.1039/d0ra05127f.
P. Atanasova. Dataset, (2021)Related to: Max Deimling, Shravan R. Kousik, Karina Abitaev, Wolfgang Frey, Thomas Sottmann, Kaloian Koynov, Sabine Laschat and Petia Atanasova. Hierarchical Silica Inverse Opals as a Catalyst Support for Asymmetric Molecular Heterogeneous Catalysis with Chiral Rh-diene Complexes. ChemCatChem, 2021, 13 , 1-12. doi: 10.1002/cctc.202001997.
T. Bauer. Dataset, (2019)Related to: Bauer, T. L., Buchholz, P. C. F. and Pleiss, J. (2019), The modular structure of α/β-hydrolases. FEBS J. doi: 10.1111/febs.15071.
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. 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.
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.
M. Benedikter. Dataset, (2021)Related to: Mathis J. Benedikter, Roman Schowner, Iris Elser, Philipp Werner, Katharina Herz, Laura Stöhr, Dominik A. Imbrich, Gergely M. Nagy, Dongren Wang, and Michael R. Buchmeiser, Synthesis of trans-Isotactic Poly(norbornene)s through Living Ring-Opening Metathesis Polymerization Initiated by Group VI Imido Alkylidene N-Heterocyclic Carbene Complexes. Macromolecules 2019 52 (11), 4059-4066. doi: 10.1021/acs.macromol.9b00422.
M. Benedikter, and I. Elser. Dataset, (2021)Related to: Iris Elser, Mathis J. Benedikter, Roman Schowner, Wolfgang Frey, Dongren Wang, and Michael R. Buchmeiser, Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes Containing Pyrrolide Ligands: Access to Catalysts with Sterically Demanding Alkoxides. Organometallics 2019 38 (12), 2461-2471. doi: 10.1021/acs.organomet.9b00148.
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.
A. Beurer, S. Dieterich, H. Solodenko, E. Kaya, N. Merdanoǧlu, G. Schmitz, Y. Traa, and 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.
J. Bruckner, and 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.
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).
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, (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.
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.
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. Wang, R. Schowner, L. Stöhr, F. Ziegler, S. Sen, and 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.
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. Deimling, and M. Kirchhof. Dataset, (2021)Related to: Asymmetric Catalysis in Liquid Confinement: Probing the Performance of Novel Chiral Rhodium-Diene Complexes in Microemulsions and Conventional Solvents. M. Deimling, M. Kirchhof, B. Schwager, Y. Qawasmi, A. Savin, T. Mühlhäuser, W. Frey, B. Claasen, A. Baro, T. Sottmann, S. Laschat, Chem. Eur. J. 2019, 25, 9464. doi: 10.1002/chem.201900947.
C. Dietrich, R. Schuldt, D. Born, H. Solodenko, G. Schmitz, and J. Kästner. Dataset, (2021)Related to: Carolin A. Dietrich, Robin Schuldt, Daniel Born, Helena Solodenko, Guido Schmitz, and Johannes Kästner "Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT" The Journal of Physical Chemistry A, 2020 124 (41), 8633-8642. doi: 10.1021/acs.jpca.0c06887.
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.
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.
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. 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.
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.
M. Dyballa. Dataset, (2021)Related to: M. Dyballa, C. Rieg, D. Dittmann, Z. Li, M. Buchmeiser, B. Plietker, M. Hunger (2020), "Potential of triphenylphosphine as solid-state NMR probe for studying the noble metal distribution on porous supports", Microporous and Mesoporous Materials, Volume 293, (109778). doi: 10.1016/j.micromeso.2019.109778.
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.
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.
I. Elser, J. Groos, P. Hauser, M. van der Ende, and M. Koy. Dataset, (2021)Related to: Elser, I.; Groos, J.; Hauser, P. M.; Koy, M., van der Ende, M.; Wang, D.; Frey, W.; Wurst, K.; Meisner, J.; Ziegler, F.; Kästner, J.; Buchmeiser, M. R.; Molybdenum and Tungsten Alkylidyne Complexes Containing Mono-,Bi-, and Tridentate N-Heterocyclic Carbenes. Organometallics 2019, 38, 21, 4133-4146. doi: 10.1021/acs.organomet.9b00481.
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.
S. Emmerling, R. Schuldt, S. Bette, L. Yao, R. Dinnebier, J. Kästner, and 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.
S. Emmerling, F. Ziegler, F. Fischer, R. Schoch, M. Bauer, B. Plietker, M. Buchmeiser, and 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.
K. Endo, A. Raza, L. Yao, S. Gele, A. Rodríguez-Camargo, H. Vignolo-González, L. Grunenberg, and 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. Forslund, J. Jung, P. Srinivasan, and 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.
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.
E. Goldstein, M. Buchmeiser, F. Ziegler, A. Beurer, Y. Traa, and 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.
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.
J. Groos, M. Koy, J. Musso, M. Neuwirt, T. Pham, P. Hauser, W. Frey, and 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.
K. Gugeler, and 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, 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.
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.
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.
K. Gugeler, and J. Kästner. Dataset, (2021)Related to: M. Kirchhof, K. Gugeler, F. R. Fischer, M. Nowakowski, A. Bauer, S. Alvarez-Barcia, K. Abitaev, M. Schnierle, Y. Qawasmi, W. Frey, A. Baro, D. P. Estes, T. Sottmann, M. R. Ringenberg, B. Plietker, M. Bauer, J. Kästner, S. Laschat, Organometallics 2020, 39, 3131-3145. doi: 10.1021/acs.organomet.0c00310.
K. Gugeler, and 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.
M. Gültig, J. Range, B. Schmitz, and 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, and 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, and 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, and 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, and 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, and 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, and 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, and 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.
M. Gültig, J. Range, B. Schmitz, and 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, and 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. 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.
P. Hauser, J. Musso, W. Frey, and M. Buchmeiser. Dataset, (2021)Related to: Hauser, P.M., Musso, J.V., Frey, W., and Buchmeiser, M.R. (2021), Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes via Hydrolysis of Cationic Alkylidyne Progenitors. Organometallics, 2021: 40, 927-937. doi: 10.1021/acs.organomet.1c00035.
P. Hauser, M. van der Ende, J. Groos, W. Frey, D. Wang, and M. Buchmeiser. Dataset, (2021)Related to: Hauser, P.M., van der Ende, M., Groos, J., Frey, W., Wang, D., and Buchmeiser, M.R. (2020), Cationic Tungsten Alkylidyne N-Heterocyclic Carbene Complexes: Synthesis and Reactivity in Alkyne Metathesis. Eur. J. Inorg. Chem., 2020: 3070-3082. doi: 10.1002/ejic.202000503.
D. Holzmüller, V. Zaverkin, J. Kästner, and 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.
D. Holzmüller, V. Zaverkin, J. Kästner, and 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.
D. Holzmüller, V. Zaverkin, J. Kästner, and 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.
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.
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.
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.
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.
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: DNA sequence-dependent activity and base flipping mechanisms of DNMT1 regulate genome-wide DNA methylation. Nat Commun. 2020 Jul 24;11(1):3723. doi: 10.1038/s41467-020-17531-8.
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.
A. Jeltsch, P. Bashtrykov, S. Adam, and S. Kunert. Dataset, (2021)Related to: Emperle M, Bangalore DM, Adam S, Kunert S, Heil HS, Heinze KG, Bashtrykov P, Tessmer I, Jeltsch A. Structural and biochemical insight into the mechanism of dual CpG site binding and methylation by the DNMT3A DNA methyltransferase. Nucleic Acids Res,Volume 49, Issue 14, 20 August 2021, Pages 8294-8308. doi: 10.1093/nar/gkab600.
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, 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.
A. Jeltsch, P. Bashtrykov, A. Bröhm, M. Dukatz, and S. Adam. Dataset, (2021)Related to: Bröhm et al., Methylation of recombinant mononucleosomes by DNMT3A demonstrates efficient linker DNA methylation and a role of H3K36me3. Commun. Biol. 5(1):192, 2022. doi: 10.1038/s42003-022-03119-z.
A. Jeltsch, P. Bashtrykov, L. Dossmann, and M. Emperle. Dataset, (2024)Related to: Dossmann et al.: Specific DNMT3C flanking sequence preferences facilitate methylation of young murine retrotransposons. 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. Dukatz, and S. Adam. Dataset, (2020)Related to: Michael Dukatz, Sabrina Adam, Mahamaya Biswal, Jikui Song, Pavel Bashtrykov, & Albert Jeltsch: Complex DNA sequence readout mechanisms of the DNMT3B DNA methyltransferase. Nucleic Acids Res. 2020 Nov 18;48(20):11495-11509. doi: 10.1093/nar/gkaa938.
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.
A. Jeltsch, P. Bashtrykov, and 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.
A. Jeltsch, and 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.
A. Jeltsch, P. Schnee, M. Khella, S. Weirich, J. Pleiss, and 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, 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.
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.
J. Jung, A. Forslund, P. Srinivasan, and 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.
J. Jung, P. Srinivasan, A. Forslund, and 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.
M. Kesharwani, I. Elser, J. Musso, M. Buchmeiser, and J. Kästner. 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 2020, 39 (17), 3146-3159. doi: 10.1021/acs.organomet.0c00311.
C. Keßler, R. Schuldt, S. Emmerling, B. Lotsch, J. Kästner, J. Groß, and 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. 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. Kirchhof. Dataset, (2021)Related to: M. Kirchhof, K. Gugeler, F. R. Fischer, M. Nowakowski, A. Bauer, S. Alvarez-Barcia, K. Abitaev, M. Schnierle, Y. Qawasmi, W. Frey, A. Baro, D. P. Estes, T. Sottmann, M. R. Ringenberg, B. Plietker, M. Bauer, J. Kästner, S. Laschat, Organometallics 2020, 39, 3131-3145. doi: 10.1021/acs.organomet.0c00310.
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.
S. Klostermann, and 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.
S. Klostermann, and 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.
J. Kästner, and 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.
J. Kästner, M. Kesharwani, I. Elser, J. Musso, and 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.