1 to 10 of 75 Results
Jeltsch, Albert; Schnee, Philipp, 2025, "MD Simulations with PRDM9", https://doi.org/10.18419/DARUS-4567, DaRUS, V2
This data collection contains additional data related to Graf et al.: "Investigation and design of the dual specificity of the PRDM9 protein lysine methyltransferase". This includes: Modelled structures of PRDM9 bound to different peptides Source data of the results of the MD analysis MD simulations codes and analysis scripts |
May 19, 2025 - SFB 1333 B3 - Laschat group, IOC
Noor, Sadia, 2025, "Replication data of A8 group for "Linker-Cluster Cooperativity in Confinement of Proline-Functionalized Zr-Based Metal-Organic Frameworks and its Effect on the Organocatalytic Aldol Reaction"", https://doi.org/10.18419/DARUS-5045, DaRUS, V1
In this study the combined theoretical and experimental approach Zr-UiO-67-MOFs with ortho-N-acylproline-functionalized biphenyl-dicarboxylate linkers were prepared and compared with the corresponding MOFs with regioisomeric meta-linkers is reported. All primary data files of measurements and processed data of the journal article mentioned under re... |
Mar 13, 2025 - SFB 1333 "Molecular heterogeneous catalysis in confined geometries"
Wimmer, Erik J., 2025, "Replication data of Estes group for: "Oxo-Bridged Zr Dimers as Well-defined Models of Oxygen Vacancies on ZrO2"", https://doi.org/10.18419/DARUS-3569, DaRUS, V1
The data is provided for experimental and analysis work done except computational calculations. All primary data files of measurements and processed data of the journal article mentioned under related publications from Estes group can be found here. Data from collaborating groups can be found in a seperate data set. The data is structured according... |
Mar 5, 2025 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Kundu, Koushani; Buchmeiser, Michael, 2025, "Replication Data for: Origin of Stereoselectivity in Ring Opening Metathesis Polymerization with Cationic Molybdenum Imido Alkylidene CAAC Complexes", https://doi.org/10.18419/DARUS-4791, DaRUS, V1
This dataset includes the NMR (1H, 19F and 13C) of the novel catalysts used in this article, the single crystal X-ray structure of a catalyst, and the proton NMR of the polymers. |
Feb 27, 2025 - Spray Segmentation
Jose, Basil; Hampp, Fabian, 2025, "Code for using and training spray segmentation models", https://doi.org/10.18419/DARUS-4739, DaRUS, V1
This dataset contains the necessary code for using our spray segmentation model used in the paper, ML-based semantic segmentation for quantitative spray atomization description. See README for more information. |
Feb 7, 2025 - SFB 1333 B3 - Laschat group, IOC
Kirchhof, Manuel, 2025, "Replication data of B3 group for "Diethylaluminium Chloride-Mediated Cycloaddition/Conjugate Reduction Sequence towards Imido-Substituted Norbornenes"", https://doi.org/10.18419/DARUS-4745, DaRUS, V1
A Et2AlCl-promoted sequential cycloaddition / conjugate hydrogenation of cyclopentadiene and 4-isopropyl-3-(3-phenylpropioloyl)oxazolidin-2-one resulting in the clean formation of the corresponding norbornene-oxazolidin-2-one is reported. All primary data files of measurements and processed data of the journal article mentioned under related public... |
Jan 16, 2025 - Institute of Thermodynamics and Thermal Process Engineering
Högler, Marc; Kobayashi, Takeshi; Kraus, Hamzeh; Atwi, Boshra; Buchmeiser, Michael; Fyta, Maria; Hansen, Niels, 2025, "Supplementary material for "Influence of Ionic Liquid Film Thickness and Flow Rate on Macrocyclization Efficiency and Selectivity in Supported Ionic Liquid-Liquid Phase Catalysis"", https://doi.org/10.18419/DARUS-4063, DaRUS, V1
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication as well as GC-MS and NMR data. We recommend viewing the data by choosing the option "tree". |
Jeltsch, Albert; Bashtrykov, Pavel, 2025, "NGS data related to Sogl et al. "Specificities and flanking sequence preferences of bacterial DNA-(cytosine C5)-methyltransferases"", https://doi.org/10.18419/DARUS-4515, DaRUS, V1, UNF:6:bSvQoJxvb+T/iyQGPOvTBA== [fileUNF]
Analysis of flanking sequence preference with a randomized substrate and bioinformatic data For analysis of the flanking sequence preference, substrate with different target sites sites in a 9 or 10 bp randomized sequence context were prepared as described (Dukatz, et al. 2020; Dukatz, et al. 2022). Substrate methylation reactions were performed wi... |
Jan 8, 2025 - Dyballa Group
Dyballa, Michael, 2025, "Replication Data for: Higher BTEX Aromatic Yield from Ethanol over Desilicated H,Zn-[Al]ZSM-5 Catalysts", https://doi.org/10.18419/DARUS-4684, DaRUS, V1
Original data (Catalytic measurements, Characterization) of the journal article mentioned under related publications from the Dyballa group can be found here. |
Marshall, Max; Dilruba, Zarfishan, 2024, "Replication Data of B3 for: "Asymmetric Rh Diene Catalysis under Confinement: Isoxazole Ring-Contraction in Mesoporous Solids"", https://doi.org/10.18419/DARUS-4527, DaRUS, V1
In this dataset HPLC (high performance liquid chromatography) chromatograms and NMR (nuclear magnetic resonance) spectra of all newly prepared ligands, catalysts and catalysis products are included. Data from collaborating groups can be found in a seperate data set. The NMR spectra are structured according to the chapters of the research article in... |
