1 to 10 of 19 Results
Jun 4, 2024 - MSCA MC-FMP-ECAT-894082
Singha Hazari, Arijit; Chandra, Shubhadeep; Song, Qian; Hunger, David; Neuman, Nicolas; van Slageren, Joris; Klemm, Elias; Sarkar, Biprajit; Kar, Sanjib, 2024, "Electrocatalytic proton reduction: Metal based fused diporphyrins with proton relays for efficient catalysis", https://doi.org/10.18419/darus-3360, DaRUS, V1
This project deals with the use of metal-based fused diporphyrins as electrocatalysts for HER reduction. The objectives of the proposed work are as follows: Synthesis of metal complexes (Cu, Ni) of substituted free base monoporphyrin derivatives bearing hydrophilic groups at the... |
May 23, 2024 - Institute of Thermodynamics and Thermal Process Engineering
Fleck, Maximilian; Darouich, Samir; Hansen, Niels; Gross, Joachim, 2024, "Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols", https://doi.org/10.18419/darus-3824, DaRUS, V1
Supplementary material is provided for the Transferable Anisotropic Mie Potential Force Field for Alkanediols, including files for rerunning TURBOMOLE DFT calculations for 1,2-ethanediol and 1,3-propanediol. The dataset includes input files and results for the OCCO and OCCC torsi... |
Mar 28, 2024 - MD Simulations
Jeltsch, Albert; Schnee, Philipp; Pleiss, Jürgen; Weirich, Sara, 2024, "Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate", https://doi.org/10.18419/darus-3815, DaRUS, V1
This data collection contains additional data related to Weirich et al.: "Discovery of new NSD2 non-histone substrates and design of a super-substrate". This includes Modelled structures of NSD2 bound to different peptides Source data of the results of the MD analysis MD simulati... |
Jeltsch, Albert; Bashtrykov, Pavel; Dossmann, Leonie; Emperle, Max, 2024, "NGS data related to Dossmann et al.: Specific DNMT3C flanking sequence preferences facilitate methylation of young murine retrotransposons", https://doi.org/10.18419/darus-3386, DaRUS, V1
Cloning and site-directed mutagenesis The gene of the catalytic, C-terminal domain of murine DNMT3C (amino acid residues 439-740 of P0DOY1) was obtained in E. coli codon optimized form from IDT Integrated DNA Technologies. The gene fragment was cloned with the StrataClone PCR Clo... |
Mar 1, 2024 - A01: Molecular detail in fluid simulations: Density Functional Theory within component and momentum balances
Bursik, Benjamin; Eller, Johannes; Gross, Joachim, 2024, "Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data", https://doi.org/10.18419/darus-3756, DaRUS, V1, UNF:6:0QTV2eSt2s5RktyiTCTmAg== [fileUNF]
This dataset contains three types of data: 1) Jupyter notebooks (.ipynb) for the calculation of solvation free energies and for the recreation of all figures in the publication; 2) Gromacs files containing the solute and solvent topology (.gro, .itp, .top), the trajectories (.trr... |
Dec 15, 2023 - Dyballa Group
Dyballa, Michael, 2023, "Replication Data for: Influence of ZSM-5 Crystal Size on Methanol-to-Olefin (MTO) vs. Ethanol-to-Aromatics (ETA) Conversion", https://doi.org/10.18419/darus-3846, DaRUS, V1
Original data (Catalytic measurements, Characterization) of the journal article mentioned under related publications from the Dyballa group can be found here. See File Documentation.txt for a mapping between the figures of the publication and the files in the dataset. |
Sep 29, 2023 - Dyballa Group
Dyballa, Michael, 2023, "Replication Data for: Accessibility of Reactants and Neighborhood of Mo Species during Methane Aromatization Uncovered by Operando NAP-XPS and MAS NMR", https://doi.org/10.18419/darus-3730, DaRUS, V1
Original data (Catalytic measurements, Characterization) of the journal article mentioned under related publications from the Dyballa group can be found here. See File Documentation.txt for a mapping between the figures of the publication and the files in the dataset. |
Sep 21, 2023 - Dyballa Group
Dyballa, Michael, 2023, "Replication Data for: Desilicated ZSM-5 Catalysts: Properties and Ethanol to Aromatics (ETA) Performance", https://doi.org/10.18419/darus-3721, DaRUS, V1
Original data (Catalytic measurements, Characterization) of the journal article mentioned under related publications from the Dyballa group can be found here. See File Documentation.txt for a mapping between the figures of the publication and the files in the dataset. |
Peters, Rene, 2023, "Replication Data for: Cooperative Lewis Acid-1,2,3-Triazolium-Aryloxide Catalysis: Pyrazolone Addition to Nitroolefins as Entry to Diaminoamides", https://doi.org/10.18419/darus-3614, DaRUS, V1
development and optimization of catalysis, mechanistic experiments, synthetic description of ligand and catalyst synthesis, application of catalysts, synthetic use of products, spectroscopic characterization data of all new products, EPR data of complexes, X-ray data, biological... |
Sep 12, 2023 - Estes Group
Maier, Sarah Eleonore, 2023, "Data for Surface Immobilized Cu-1,10-Phenanthroline Complexes with α-Aminophosphonate Groups in the 5-Position as Heterogenous Catalysts for Efficient Atom-Transfer Radical Cyclizations", https://doi.org/10.18419/darus-3467, DaRUS, V1
The data set contains the NMR data of the new ligands and immobilized catalyst as well as examplary NMR spectra after the catalysis as used for the determination of the yield. Additionally, it contains the UV/Vis data of the free and immobilized ligand and complex, and crystallog... |
