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Replication data of B3 group for "Diethylaluminium Chloride-Mediated Cycloaddition/Conjugate Reduction Sequence towards Imido-Substituted Norbornenes"
No full textA 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 publications from B3 group can be found here. The data is structured according to figures and schemes in the research article and contains the following data types: NMR spectra, kinetics data
Replication Data for: A parametric design integrated sampling and general training approach for optimal control oriented surrogate models of light-related quantities
No full textThis dataset contains the following data:
scenes-Folder: the Grasshopper files, the the project files created by ModelToRad-component as well as the epw-file of the location. The project files include all geometries, materials and sensor placements for both scenes.
figures-Folder: the figures of the publication in the original quality as well as the underlying data of the result figures.
tables-Folder: the data underlying the result tables 1 to 3.</ul
Additional Material: "Static Contact Angles of Mixtures: Classical Density Functional Theory and Experimental Investigation"
No full textThis data set contains jupyter notebooks for the calculation of all results. It also contains .csv files with the numerical and experimental results for pure substances and mixtures
Replication Data for: Ultraviolet photodetectors and readout based on a‐IGZO semiconductor technology
No full textThis dataset holds all measurement data, as well as the evaluation and plotting scripts to replicate all figures of the paper.
The data is structured in folders of the figures. In the most cases a folder includes the figure (.pdf), a subfolder named Plot and a subfolder named Raw data and evaluation script. The Plot folder contains the plotting script (.py) and the plotted data (.txt). The Raw data and evaluation script folder contains the recorded (unprocessed) data (.csv, .xlxs) and a python script (.py), which generates the plotted data from the raw data
DATA: hydrogen and ammonia flame speeds from different Soret diffusion models
No full textUnstretched laminar flame speeds (sL0) of hydrogen-air and ammonia/hydrogen-air flames
Each file contains a table with the raw flame speed data presented in the paper
T. Zirwes, A. Kronenburg, "Assessment of Approximate Soret Diffusion
Models for Hydrogen and Ammonia Combustion", Flow, Turbulence and Combustion (2025), https://doi.org/10.1007/s10494-025-00680-5
Each table is structured as follows:
The file name contains information about the fuel composition (either pure hydrogen, "H2", or ammonia/hydrogen at a 60/40 blend by volume, "60-NH3-40-H2"), the unburnt gas temperature (either 300K or 500K), the pressure (either 1atm or 5atm) and the reaction mechanism (Stagni et al. [1] for the ammonia-hydrogen flames and Li et al. [2], Burke et al [3] or Boivin et al [4] for pure hydrogen flames).
The columns contain:
Column 1: Equivalence ratio
Column 2: sL0 from the multicomponent model without Soret diffusion (m/s)
Column 3: sL0 from the multicomponent model with Soret diffusion (m/s)
Column 4: sL0 from the mixture-averaged model with the Chaptman&Cowling Soret model (m/s)
Column 5: sL0 from the mixture-averaged model with the Bartlett Soret model (m/s)
Column 6: sL0 from the mixture-averaged model with the Hirschfelder&Warnatz Soret model activated only for H and H2 (m/s)
[1] A. Stagni, S. Arunthanayothin, M. Dehue, O. Herbinet, F. Battin-Leclerc, P. Bréquigny, C. Mounaïm-Rousselle, T. Faravelli, "Low-and intermediate temperature ammonia/hydrogen oxidation in a flow reactor: Experiments and a
wide-range kinetic modeling", Chem. Eng. J. 471 (2023)
[2] J. Li, Z. Zhao, A. Kazakov, F.L. Dryer, "An updated comprehensive kinetic model of hydrogen combustion", Int. J. Chemical Kinetics 36, 566-575 (2004)
[3] M.P. Burke, M. Chaos, Y. Ju, F.L. Dryer, S.J. Klippenstein, "Comprehensive H2/O2 kinetic model for high-pressure combustion", Int. J. Chem. Kinetics 44(7), 444-474 (2012)
[4] P. Boivin, "Reduced-kinetic mechanisms for hydrogen and syngas combustion including autoignition", Phd, Universidad Carlos III de Madrid (2011)
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AccessGuru
No full textAccessGuru dataset contains over 3,500 real-world Web accessibility violations collected from 448 diverse websites across domains such as health, education, government, news, technology, and e-commerce. Each instance is annotated with one of 112 distinct violation types, spanning syntactic, semantic, and layout categories as defined by WCAG 2.1 guidelines. The dataset includes HTML code snippets, associated metadata, and supplementary information (e.g., color values, images) necessary for detection and correction tasks. It is the first large-scale benchmark that jointly covers all three categories of accessibility violations, enabling reproducible evaluation of automated accessibility testing tools, large language models (LLMs), and assistive technologies
Replication Data for: Flexible mesh-particle coupling with preCICE
No full textThis dataset contains the software components and numerical examples from the bachelor's thesis "Flexible mesh-particle coupling with preCICE" by Robin Walloner. In particular, this includes the modified versions of LIGGGHTS, preCICE, the OpenFOAM-preCICE adapter, as well as the OpenFOAM implementation of the Anderson and Jackson equations. The top-level README further describes the contents of this dataset. Instructions for building and running are provided in the README files within the respective archives
Supplementary Data to: "Cysteine-mediated structural stabilization of the tetrameric GlpF"
No full textSimulation files, molecular structures and trajectories tetrameric GlpF wild type and M4C mutant. in the latter, 4 cysteine residues in the transmembrane helix bundle of GlpF, in detail C11, C28, C80, and C99 are replaced by glycines. The data underlays our publication on the role of those 4 cysteine residues for stability of membrane inserted tetrameric GlpF in a simple 3-component membrane mimic of E. coli polar lipid extract (PLE).
The zips include:
1. the charmm36-july2017.ff simulation directory for GROMACS 202X
2. gromacs simulation files (topologies and mdp files)
3. snapshots of first and last (3µs) frames of two replica of the simulations including all atoms in the simulation systems
4. protein trajectories saved every 100 ps
5. protein pdb files every 100 n
Replication Data for: Modelling collision frequencies and predicting bi-variate agglomerate size distributions for bi-disperse primary particle systems
No full textThis dataset contains all the solvers and case setups to generate the results used in the paper. More information is available in the README files of the corresponding directories
Experiment Video of Possibilistic Filtering and Optimization-Based Control of the Ball-on-Wheel System
No full textThe video provided shows two experimental results of a controlled Ball-on-Wheel system, each subjected to a different filtering and control method. The objective is to robustly stabilize the system's unstable equilibrium. In particular, the first part of the video demonstrates the real-time application of a Recursive Possibilistic Particle Filter (RPPF) combined with a min-max Model Predictive Control (MPC) scheme. For comparison, the second part of the video showcases the performance of an Extended Kalman Filter (EKF) paired with a nominal MPC scheme.
The hardware setup consists of a ball and a wheel, with the wheel driven by a NEMA 23 stepper motor coupled with a DMT 5505 motor controller. The translational displacement of the ball is measured by two time-of-flight sensors, processed by an ESP32 microcontroller. This microcontroller also facilitates communication with an external PC and transmits control commands following from the considered estimation and control schemes to the motor controller.
Notably, the second scheme, i.e., EKF combined with nominal MPC, relies solely on a single state estimate, accounting only for uncertainties of aleatoric nature. In contrast, the proposed scheme (RPPF and min-max MPC) shown in the first part of the video also considers uncertainties of epistemic nature. It does so by capturing all possible system states through a possibilistic particle filter. For control decisions, the set of all possible states in the current time step is reduced to the worst-case subset, enabling robust stabilization of the the unstable equilibrium via an implicit control law embedded within the min-max MPC framework.
A quantitative analysis of both schemes, as well as further details on the proposed method, hardware setup, and utilized parameters, can be found in the related publication associated with this video.</p