41 to 50 of 59 Results
Mar 21, 2022 - SFB 1333 C1 - Dyballa group, ITC
Li, Zheng, 2022, "Publication data for: "The alumination mechanism of porous silica materials and properties of derived ion exchangers and acid catalysts"", https://doi.org/10.18419/darus-2689, DaRUS, V1
All primary data files and processed data of the journal article "The alumination mechanism of porous silica materials and properties of derived ion exchangers and acid catalysts" from C1 group. Containing MAS NMR, ICP-OES, N2 physisorption data. The NMR data (.dx-file) can be op... |
Mar 17, 2022C01: A Lattice-Boltzmann investigation of two-phase electrolyte flow in porous structures with morphology alterations and tunable interfacial wetting behaviour
Molecular dynamics input script, raw data, and video of thin water film at the NaCl surface. |
Mar 9, 2022 - Molecular Simulation
Kraus, Hamzeh; Hansen, Niels, 2022, "Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'", https://doi.org/10.18419/darus-2154, DaRUS, V1
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter files are provided for all simulations conducted within the paper. The simulation is divided into three steps, an energy-minimizati... |
Lee, Eunsang, 2022, "Data for: Suppressing the rebound of impacting droplets from solvophobic surfaces by polymer additives: polymer adsorption and molecular mechanisms", https://doi.org/10.18419/darus-2235, DaRUS, V1
This tutorial is for Multi-body dissipative particle dynamics simulations of droplets of dilute polymer solution on a solvophobic surface for different droplet sizes, impact velocities and polymer-solvent attraction strengths. The simulations are performed using the self-written... |
Lee, Eunsang, 2022, "Rebound suppression by small amount of polymer additives: Slow hopping mechanism", https://doi.org/10.18419/darus-2234, DaRUS, V1
This tutorial is for Multi-body dissipative particle dynamics simulations of droplets of dilute polymer solution on a solvophobic surface. The simulations are performed using the self-written software DropDPD. A detailed instruction can be found in the file documentation.pdf. |
Feb 21, 2022 - SFB 1333 B3 - Laschat group, IOC
Kirchhof, Manuel, 2022, "Replication data of B3 group for: "Interplay of Polarity and Confinement in Asymmetric Catalysis with Chiral Rh Diene Complexes in Microemulsions"", https://doi.org/10.18419/darus-2210, DaRUS, V1
In this dataset HPLC (high performance liquid chromatography) chromatograms of the products of the rhodium-catalyzed 1,2-addition and NMR spectra of all prepared ligands, catalysts and catalysis products (NMR) are included. Furthermore, the NMR data of temperature and solvent dep... |
Feb 15, 2022 - EnzymeML at work
Pinto, Maria Filipa, 2022, "Catalysis of L-cysteine by IscS in the presence of IscU", https://doi.org/10.18419/darus-2483, DaRUS, V1
Measured was the reaction from cysteine to alanine by the Cysteine desulfurase, for six different initial concentrations of cysteine. The data consists of three data points over the course of 2.5 minutes for alanine. Additionally, the concentration of cysteine over time was calcu... |
Feb 15, 2022 - EnzymeML at work
Malzacher, Stephan, 2022, "Carboligation of Pyruvate catalysed by HcAHAS C Unit", https://doi.org/10.18419/darus-2470, DaRUS, V1
The data was measured in the course of a Bachelor thesis and filled into the EnzymeML Spreadsheet. Measured was the absorption for the reaction from pyruvate to acetolactate. The measurements were conducted for six different pH values (in the range from pH 5 to pH8). For each of... |
Feb 15, 2022 - EnzymeML at work
Høst, Amalie Vang, 2022, "Deactivation of Glucose Oxidase", https://doi.org/10.18419/darus-2469, DaRUS, V1
The data is unpublished and contains absorption data over time, together with the calculated initial rates. Reaction conditions and the experimental setup are described in the additional Method section. Measured was the deactivation of Glucose Oxidase over time. The enzyme activi... |
Feb 15, 2022 - EnzymeML at work
Lagerman, Colton, 2022, "Synthesis and Hydrolysis of Cephalexin", https://doi.org/10.18419/darus-2468, DaRUS, V1
Investigated was the synthesis and hydrolysis of cephalexin, and the hydrolysis of phenylglycine methyl ester by an amino ester hydrolase. The concentrations of all reactants over time were measured, for four different initial concentrations of cephalexin and phenylglycine methyl... |
