Babeș-Bolyai University Showcase

Supplementary data to paper: "Exploring Mechanisms of Early Acquired Resistance to Doxorubicin in Melanoma in 3D Model" by Negrea et al., 2025. These data represent: 1) Supplementary Figure 1. GSEA Enrichment plots; 2) Supplementary Table 1. RT-qPCR Primers sequences; 3) Supplementary Figure 2. RT-qPCR results; 4) Supplementary Table 2. All DEGs; 5) Supplementary Table 3.1 GO and and 3.2. KEGG analysis results; 6) Supplementary Table 4. GSEA analysis; 7) Supplementary Table_5_DEG in selected processes;

Ethnic distribution of voters in the constituencies from Transylvania, based on two surveys (1881 and 1883-1884) by the Romanian National Party in Transylvania and Hungary. Data extracted from the Romanian National Archives in Bucharest, Romanian National Party fund (detailing of data sources can be found in the dataset). Dataset supporting the research paper: Vlad Popovici, Raluca Rus, „Romanian voters in Transylvania and Hungary. The 1881-1884 electoral survey by the Romanian National Party”, in Acta Marisiensis. Seria Historia, 6, 2024, p. 29-59, DOI: 10.2478/amsh-2024-0018, accesible at: https://actahistoria.umfst.ro/10-2478-amsh-2024-0018

The open data folder contains: 1. Gaussian outputs are available as ”Cx_output”. These files can be opened with Notepad to view the general log, or with Gaussian to explore the optimized structure. 2. Docking files are available. In the folders titled ”Cx_protein” the .dlg file can be found. This file can be opened in Autodock Tools to explore the binding sites, conformations and affinities. The receptor file used is available in the same folder. 3. PDBQT files- can be opened in ChimeraX. 4. Labels C6 and C7 are used for compounds 3a and 3b in the manuscript that this dataset accompanies.

Editable data for the following manuscript Title: ”Truncated phytoglobin displays a catalase-like activity towards cyanamide” Authors: Cezara Zagrean-Tuza (cezara.zagrean@ubbcluj.ro), Augustin C. Mot (augustin.mot@ubbcluj.ro), Grigore Damian, Radu Silaghi-Dumitrescu (radu.silaghi@ubbcluj.ro); Affiliations: Department of Chemistry and Department of Physics, Babes-Bolyai University, Cluj-Napoca, Cluj, Romania. 1. Excel documents 1a. ABTS_pseudoperoxidase: data for Figure 4 and Figures S4 and S5 from the Supplementary material; 1b. EPR_data: resources of editable EPR spectra for Figure 3 and Figures S1, S8 and S9; 1c. Figure5_all_spectra: editable control UV-vis spectra; 1d: metAt3_CA_px_Figure2: editable UV-vis spectra; 1e: metAt3_CN+px2_FigureS7: editable UV-vis spectra; 1f: metAt3_px_CA_FigureS3: editable UV-vis spectra; 2. Docking files The docking calculations were performed in Autodock. To visualize the results of the docking calculations, the .dlg file is opened in AutodockTools software. Subsequently, the .pdbqt file of the protein is loaded onto the same software and the determined binding sites, affinities and scoring can be explored. Alternatively, the At3_NH2CN.pdbqt and Hb_NH2CN.pdbqt files can be loaded onto ChimeraX. Only the binding site described in the manuscript for each protein is available in this format. 3. DFT results Two types of files are available in the DFT_calculations folder. Spartan files (.spartan) for each cyanamide linkage isomer and spin state are available and can be loaded only onto the Spartan software (on virtually any version). Gaussian files (.log, they appear as ”Text Document”) showing calculations that evaluate the hydrogen bonding of cyanamide (low spin adduct) with the aminoacids in the binding site are available. These can be opened in GaussView to examine the structure itself or directly in any .txt reader.

This dataset accompanies the manuscript "Influence of the second coordination sphere on the autooxidation reaction in oxygen-binding proteins" by Cosprundan et al. It includes output files (log) from DFT calculations performed using the Gaussian software package on hemoglobin and on hemerythrin active site models, in the ferrous oxy states. It also includes results of docking calculations for two chrysin derivatives on hemoglobin, using the Autodock software package.