1 to 10 of 263 Results
Kousik, Shravan R., 2024, "Replication Data for: A Complementary Experimental and Theoretical Approach for Probing the Surface Functionalization of ZnO with Molecular Catalyst Linkers", https://doi.org/10.18419/darus-3840, DaRUS, V2
This dataset contains raw and processed data corresponding to all the atomic force microscopy (AFM), scanning electron microscopy (SEM), polarization-modulation infrared reflection absorption spectroscopy (PM-IRRAS), angle-resolved, and temperature-dependent X-ray photoelectron s... |
Apr 11, 2024 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Probst, Patrick; Groos, Jonas; Wang, Dongren; Gugeler, Katrin; Beck, Alexander; Kästner, Johannes; Frey, Wolfgang; Buchmeiser, Michael, 2024, "Replication data of Buchmeiser group for: "Stereoselective Ring Expansion Metathesis Polymerization with Cationic Molybdenum Alkylidyne N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-4122, DaRUS, V1
Synthetic proofs in form of 1H, 13C, 19 F NMR spectra, as well as GPC traces for polymers, the presented MALDI-TOF spectrum, Data files for the crystal structure as well as data for the theoretical calculations are reported. All primary data files of measurements and processed da... |
Apr 9, 2024 - SFB 1333 B3 - Laschat group, IOC
Kirchhof, Manuel, 2024, "Replication data of B3 group for: "Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis"", https://doi.org/10.18419/darus-3547, DaRUS, V1, UNF:6:N+XAY3GC5dJdwFA2n/4lEA== [fileUNF]
In this dataset HPLC (high performance liquid chromatography) chromatograms of the products of the rhodium-catalyzed 1,2-addition and NMR (nuclear magnetic resonance) spectra of all prepared ligands, catalysts and catalysis products (NMR) are included. Furthermore, the excel shee... |
Mar 28, 2024 - Institute of Biochemistry and Technical Biochemistry
Koeppl, Lars-Hendrik, 2024, "HPLC raw data related to Koeppl et al.: Structure, function and substrate preferences of archaeal S-adenosyl-L-homocysteine hydrolases", https://doi.org/10.18419/darus-4052, DaRUS, V1, UNF:6:WOWb9VZ7dRJmQmW8TZ5lMg== [fileUNF]
In this study, synthesis and cleavage reactions catalysed by S-adenosyl-L-homocysteine hydrolases originating from different domains of life were investigated. The reactions were studied using S-adenosyl-L-homocysteine or S-inosyl-L-homocysteine as substrate for the cleavage reac... |
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... |
Mar 4, 2024 - Amplicon based bisulfite NGS data
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... |
Feb 26, 2024 - Institute of Applied Analysis and Numerical Simulation
Nottoli, Michele; Herbst, Michael F.; Mikhalev, Aleksandr; Jha, Abhinav; Lipparini, Filippo; Stamm, Benjamin, 2024, "Replication Data for: "ddX: Polarizable Continuum Solvation from Small Molecules to Proteins"", https://doi.org/10.18419/darus-4030, DaRUS, V1
Data for reproducibility of the numerical simulations of the research paper "ddX: Polarizable Continuum Solvation from Small Molecules to Proteins". |
Jan 29, 2024 - SFB 1333 A3 - Lotsch group, MPI-FKF
Grunenberg, Lars; Savasci, Gökcen; Emmerling, Sebastian; Heck, Fabian; Bette, Sebastian; Cima Bergesch, Afonso; Ochsenfeld, Christian; Lotsch, Bettina V., 2024, "Replication data of Lotsch group for: "Postsynthetic Transformation of Imine- into Nitrone-Linked Covalent Organic Frameworks for Atmospheric Water Harvesting at Decreased Humidity"", https://doi.org/10.18419/darus-3658, DaRUS, V1, UNF:6:6qLrfVdxi4dySJ6NPLMHUw== [fileUNF]
Herein, we report a facile postsynthetic linkage conversion method giving synthetic access to nitrone-linked covalent organic frameworks (COFs) from imine- and amine-linked COFs. The new two-dimensional (2D) nitrone-linked covalent organic frameworks, NO-PI-3-COF and NO-TTI-COF,... |
Jan 9, 2024 - Institute of Biochemistry and Technical Biochemistry
Häussler, Max, 2024, "Data for: 'EnzymeML-based modeling workflow: from raw data to kinetic parameters'", https://doi.org/10.18419/darus-3867, DaRUS, V1
Kinetic parameter estimates for small laccase (SLAC) catalyzed oxidation of ABTS, investigated across the temperature range between 25 °C and 45°C. This dataset contains the following files: Unprocessed absorption data from the respective enzyme assays (.txt) Derived calibration... |
