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A Study on Molecular Interactions and Antimycotic Properties of Thiadiazole/Coumarin Derivatives with Selected Polyene and Azole Antibiotics Showing Synergistic or Antagonistic Effects
No full textThe data was generated during the Miniatura 8 project, registration number: 2024/08/X/NZ1/01460.This collection includes data obtained in the above research task and serves as the basis for the creation of scientific publications, which will present new synergistic systems with available antifungal drugs and provide a preliminary description of their mechanism of action.The collection contains data on: the structures of the tested compounds, antifungal activity data obtained using the broth microdilution method from 48 hours of measurements (bioscreen), FICI calculation results, data obtained using UV-Vis spectroscopy, fluorescence spectroscopy, fluorescence lifetime spectroscopy using the TCSPC (Time-Correlated Single Photon Counting) method, NMR spectroscopy, and cytotoxicity tests.</p
Oddziaływanie prawniczych badań podstawowych na kształcenie prawników na przykładzie badań podstawowych finansowanych przez Narodowe Centrum Nauki w Polsce - badanie CAWI
No full text[PL:]Zbiór danych obejmuje wyniki badania ankietowego nauczycieli akademickich realizujących projekty objęte dofinansowaniem Narodowego Centrum Nauki w latach 2011-2020 w panelu nauk społecznych (panel NCN: HS5), ze szczególnym uwzględnieniem dziedziny nauk prawnych.Badanie miało na celu weryfikację tego, czy i w jaki sposób nauczyciele akademiccy wykorzystują wyniki prowadzonych badań w dydaktyce akademickiej.Metoda badawcza: Wywiad internetowy (CAWI)Termin realizacji: 16.06 – 12.07. 2023 r.Próba: baza 150 adresów mailowych, w tym: 75 osób kierujących grantami Narodowego Centrum Nauki (NCN), 75 osób niekierujących grantami NCN. Identyfikacji naukowców kierujących grantami dokonano na podstawie bazy projektów NCN (https://projekty.ncn.gov.pl/). Wytypowano osoby o zróżnicowanym doświadczeniu naukowym (w momencie realizacji grantu) na podstawie posiadanych stopni i tytułów naukowych, ulokowanych w różnych polskich ośrodkach naukowych, którzy zrealizowali badania objęte dofinansowaniem w latach 2011-2020. Proponując naukowców niekierujących grantami finansowanymi z NCN, przeglądano strony internetowe poszczególnych uczelni i bazę projektów NCN, typując osoby na różnych etapach kariery naukowej. Starano się przy tym dbać o zróżnicowanie płci.Liczba zrealizowanych wywiadów: 34, w tym: 20 osób kierujących grantami NCN, 14 osób niekierujących grantami NCNCzęść danych zanonimizowano.Badania przeprowadziło Centrum Badania Opinii Społecznej na zlecenie Uniwersytetu w Białymstoku[ENG:]The dataset includes results from a survey of academic teachers conducting projects funded by the National Science Centre in 2011-2020 within the social sciences panel (NCN panel: HS5), with particular emphasis on the field of legal sciences.The study aimed to verify whether and how academic teachers use the results of their research in academic teaching.Research method: Computer-Assisted Web Interviewing (CAWI)Implementation period: June 16 – July 12, 2023Sample: Database of 150 email addresses, including: 75 NCN grant leaders, 75 non-NCN grant leaders. Identification of grant leaders was based on the NCN projects database (https://projekty.ncn.gov.pl/). Respondents were selected with diverse scientific experience (at the time of grant implementation) based on their degrees and titles, located in various Polish academic centers, who conducted research funded in 2011-2020. For non-grant leaders, university websites and the NCN projects database were reviewed, selecting individuals at various career stages. Gender diversity was also considered.Number of completed interviews: 34, including: 20 NCN grant leaders, 14 non-NCN grant leadersSome data was anonymized.The survey was conducted by the Center for Public Opinion Research (CBOS) on behalf of the University of Bialystok.</p
100 NFT collections quotes in Ethereum blockchain from 01.12.2021 to 26.11.2023
No full textThe dataset contains tick-by-tick data representing transactions (price and time) on 100 NFT collections from the Ethereum blockchain. The data were sourced from the public CryptoSlam! portal. The collections were selected according to the criterion requiring that, on average, each collection had at least two transactions involving at least one of its tokensEach CSV file contains data for one collection.Columns - toeknId, price, priceUSD, paymentToken, SoldOn, isWashSale, rarityRank, buyerAddress, sellerAddress and tokenName.</p
Bifunctional silk nanospheres for targeted delivery of oligonucleotide therapeutics to VEGFR-positive cells in the tumor microenvironment
No full textThis dataset contains experimental data supporting the publication “Bifunctional silk nanospheres for targeted delivery of oligonucleotide therapeutics to VEGFR-positive cells in the tumor microenvironment.” The study was conducted as part of a research project funded by the National Science Centre (grant no. 2021/43/D/NZ7/00622).The purpose of the study was to develop and evaluate a targeted drug delivery system based on functionalized silk nanospheres for the selective delivery of oligonucleotide therapeutics to vascular endothelial growth factor receptor (VEGFR)-overexpressing cells in the tumor microenvironment.The dataset includes data generated during the engineering and characterization of five hybrid silk proteins produced by fusing bioengineered MS1 silk with peptides targeting VEGFR-1 (VE1MS1, VE1bMS1, VE1cMS1) and VEGFR-2 (VE2bMS1, VE2cMS1). These constructs were assessed for receptor binding and cellular internalization in VEGFR-overexpressing cells, resulting in the selection of VE1MS1 and VE2bMS1 as lead candidates for drug delivery system development.Further data document the formation of bifunctional silk nanospheres obtained by blending VE1MS1 or VE2bMS1 with the nucleic acid–binding silk protein MS2KN. The dataset covers nanoparticle physicochemical characterization, nucleic acid-binding capacity, cytotoxicity, cellular uptake, selective interaction with VEGFR-overexpressing non-small-cell lung cancer cells, and therapeutic efficacy, including siRNA-mediated gene silencing.The dataset provides comprehensive experimental evidence demonstrating that incorporation of VEGFR-targeting enhances receptor-specific cellular interactions, and, in combination with MS2KN, enables efficient and targeted delivery of siRNA therapeutics to the VEGFR-overexpressing cells of the tumor microenvironment.</p
Datasets and scripts for pseudosymmetry and local coordinate system analysis of atoms and atom types in MATTS2021
No full textThe repository contains datasets and scripts related to the analysis of electron density pseudosymmetry of atoms and atom types in the MATTS2021 data bank (Jha et al., 2022; Rybicka et al., 2022), evaluated for many different local coordinate system (LCS) types and orientations.Electron density pseudosymmetry was assigned based solely on multipole parameters (κ, κ′, Pval, and Plm) using symmetry selection rules (Kurki-Suonio, 1977), first at the level of individual LCS orientations, then per LCS type, and lastly as a final symmetry for each atom and atom type. Each symmetry, together with its associated LCS orientation, leads to a specific set of multipolar function that should vanish, i.e. their populations (Plm values) should be equal to zero (Kurki-Suonio, 1977). The provided files include symmetry assignments, statistical summaries, custom Bash and Python scripts, visualizations of parameter distributions, and comparisons of pseudosymmetry assignments between atoms, atom types, and symmetries in MATTS2021.The refinement of the multipole model for model molecules was performed using the same set of crystal structures and the same general procedure as that used to construct the MATTS2021 data bank (Jha et al., 2022), with modifications applied at the stage of multipole model refinement when symmetry constraints were imposed on refined parameters. Two distinct datasets of refined multipolar models were created: one resulting from refinements with the original symmetry constraints used in the construction of the MATTS2021 data bank (ref-SC), and another from refinements with no symmetry constraints (ref-NSC). Removing symmetry constraints allows all Plm to be populated.The primary data used for the determination of electron density pseudosymmetry consist of multipole model parameters calculated for atoms and atom types belonging to 14 topological subgroups. These subgroups are defined based on (a) the number of first neighbors and planarity, which together define a topological group (4n, 3n, 3p, 2p, or 1p), and (b) the chemical element (C, N, O, F, P, S, Cl, Br). Thus, the 14 topological subgroups are: 4n-C, 4n-N, 4n-P, 4n-S, 3n-N, 3p-C, 3p-N, 2p-N, 2p-O, 2p-S, 1p-F, 1p-Cl, and 1p-Br. Files specific to each topological group or subgroup include the group or subgroup name in the filename. The term “1p-halogens” refers to the combined set of 1p-F, 1p-Cl, and 1p-Br.For each subgroup, a universal atom type definition was created manually. These definitions were generalized with respect to neighbors, ring presence, and ring size, only planarity of the central atom was explicitly defined. This approach ensured that all atoms fitting a given subgroup, including both recognized (i.e., those with corresponding atom types in MATTS2021) and unrecognized (i.e., those without such atom types) ones, were identified in model molecules. Subsequently, topological-group-specific Bash scripts (1_make-definitions-{group}.bash, provided in /scripts/LCS/) generated new definitions of universal atom types for all considered LCS orientations, producing .txt files as output. These .txt files are provided in the /universal-definitions directory.The bankMaker utility from the DiSCaMB library (Chodkiewicz et al., 2018), a local Bash script ROTATE.bash (provided in the /scripts/LCS directory), and a dataset of refined multipolar models (ref-SC or ref-NSC) were used to calculate multipole parameters for every considered LCS orientation for each atom. For atom types, the same procedure was applied, but using the original MATTS2021 data bank atom type definitions in an unchanged order, provided in files generated by subgroup-specific local Bash scripts 2_make-little-banks-{subgroup}.bash (located in /scripts/LCS), instead of the universal atom type definitions. In both cases (atoms and atom types), all symmetries in the atom type definitions were set to “no”, preventing the enforcement of any symmetry higher than 1 and enabling all multipolar functions to be populated.The resulting sets of multipole parameters were generated for all LCS orientations and combined into subgroup-specific files for further analysis using local Bash and Python scripts (3_get-data.bash and 4_make-csv.py, provided in /scripts/LCS). The following subgroups were included in the subsequent analysis: 4n-C, 3n-N, and 3p-N for ref-SC; and 4n-C, 4n-N, 4n-P, 4n-S, 3n-N, 3p-C, 3p-N, 2p-N, 2p-O, 2p-S, and 1p-halogens (combined 1p-F, 1p-Cl, and 1p-Br) for ref-NSC. Files for 4n-C, 3n-N, and 3p-N indicate the refinement strategy used (ref-SC or ref-NSC) in their filenames. For the remaining subgroups, this information is not indicated, as ref-NSC is the default. A detailed description of the purpose and usage of each of the aforementioned scripts is provided in the read_me file in the /scripts/LCS directory.To assign pseudosymmetry based on the generated multipole parameters, it was necessary to determine when Plm values could be approximated as zero. For this purpose, zero-value thresholds were introduced and determined automatically using Gaussian Mixture Model (GMM) analysis (Zhuang et al., 1996) of Plm distributions. A custom Python script, gmm_threshold_analysis.py (provided in the /scripts/GMM directory), performed the analysis separately for each subgroup by automatically selecting the optimal number of Gaussian components (from 1 to 6 for each Plm parameter derived from ref-NSC atoms), calculating their weights, and identifying the dominant component. Plm parameters for which the mean of the dominant Gaussian component was greater than or equal to three times its standard deviation were excluded, as they were considered significantly different from zero. For each subgroup and LCS type, this procedure generated three outputs: histogram plots (*.png) showing Plm distributions with Gaussian fits; all_Plm_*.txt files containing statistics for the dominant Gaussian component for each Plm; and filtered_Plm_*.txt files including only the dominant Gaussian components used to define the zero-value thresholds. These files are available in the /GMM-analysis directory. A detailed description of the usage of the gmm_threshold_analysis.py script is provided in the read_me file in the /scripts/GMM directory.Finally, the generated multipole parameters and the established zero-value thresholds were used to assign electron density pseudosymmetry at the level of individual LCS orientations, per LCS type, and ultimately as a final symmetry for each atom and atom type. This stage employed numerous custom Bash and Python scripts, some of which are group- or subgroup-specific. These scripts are provided in the /scripts/PSEUDOSYMMETRY directory. A short description of the purpose of each script is given in the read_me file in the main directory, while more detailed usage instructions are provided in the read_me file in the /scripts/PSEUDOSYMMETRY directory.The /atoms-and-atom-types-data directory contains *.ods files with atom- and atom type-level data for each subgroup (as indicated by the filenames), including multipole model parameters and pseudosymmetry assignments across all considered LCS orientations. These files were created manually by combining information obtained from the outputs of the Bash and Python scripts from /scripts/PSEUDOSYMMETRY at various stages of the analysis and interpretation. Detailed information about the contents of the *.ods files, including descriptions of each sheet and column, is provided in a read_me file in the main folder.References:Chodkiewicz, M. L., Migacz, S., Rudnicki, W., Makal, A., Kalinowski, J. A., Moriarty, N. W., Grosse-Kunstleve, R. W., Afonine, P. V., Adams, P. D.; Dominiak, P. M. (2018). J. Appl. Crystallogr. 51, 193–199.Jha, K. K., Gruza, B., Sypko, A., Kumar, P., Chodkiewicz, M. L.; Dominiak, P. M. (2022). J. Chem. Inf. Model. 62, 3752–3765.Kurki-Suonio, K. (1977). Isr. J. Chem. 16, 115–123.Rybicka, P. M., Kulik, M., Chodkiewicz, M. L.; Dominiak, P. M. (2022). J. Chem. Inf. Model. 62, 3766–3783.Zhuang, X., Huang, Y., Palaniappan, K.; Zhao, Y. (1996). IEEE Trans. Image Process. 5, 1293–1302.</p
Assessment of the tolerance of Listeria innocua isolates recovered from meat products and food-processing environments in Poland to benzalkonium chloride
No full text[ENG:]14 files containing experimental data were deposited in the database. These include:a file with data on the isolates, their origin, tolerance profiles, and the presence of resistance genes (Data_on_isolates_tolerance_profiles.csv);three files containing images of microbiological cultures showing growth inhibition of isolates on BHI medium for three technical replicates (Images_of_growth_inhibition_of_isolates_BHI_1st_technical_replicate.zip, Images_of_growth_inhibition_of_isolates_BHI_2nd_technical_replicate.zip, Images_of_growth_inhibition_of_isolates_BHI_3rd_technical_replicate.zip);and three files containing images of microbiological cultures showing growth inhibition of isolates on M-H medium supplemented with 1.2% sheep blood for three technical replicates (Images_of_growth_inhibition_of_isolates_M-H_+_1.2%_sheep_blood_1st_technical_replicate.zip, Images_of_growth_inhibition_of_isolates_M-H_+_1.2%_sheep_blood_2nd_technical_replicate.zip, Images_of_growth_inhibition_of_isolates_M-H_+_1.2%_sheep_blood_3rd_technical_replicate.zip).In addition, the dataset includes four sets of files presenting the results of PCR agarose gel electrophoresis for individual resistance genes: Electrophoresis_results_for_the_qacE_gene.zip, Electrophoresis_results_for_qacF_gene.zip, Electrophoresis_results_for_the_qacG_gene.zip, Electrophoresis_results_for_the_qacH_gene.zip, Electrophoresis_results_for_the_qacJ_gene.zip, Electrophoresis_results_for_the_brcABC_gene.zip i Electrophoresis_results_for_the_ermC_gene.zip.The files were saved in .csv, .jpg, and .png formats and were prepared using Microsoft Word and Microsoft Excel. The data present the results of studies on the analysis of tolerance to benzalkonium chloride, a disinfectant widely used in the food industry, in 51 Listeria innocua bacterial isolates originating from raw and processed meat products as well as from meat-processing plant environments. Tolerance was determined using the agar diffusion method on two media: Brain Heart Infusion (BHI) agar and Mueller–Hinton (M-H) agar supplemented with 1.2% sheep blood, at BC concentrations of 0, 5, 10, 15, 20, 25, 30, 35, 40, and 45 µg/mL, which enabled the determination of minimum inhibitory concentrations (MICs). In addition, the presence of seven selected resistance genes to quaternary ammonium compounds (QACs), including benzalkonium chloride (qacE, qacF, qacG, qacH, qacJ, brcABC, and ermC), was analyzed using the PCR technique.[PL:]W bazie danych zdeponowano 14 plików zawierających dane eksperymentalne. Obejmują one:Plik z danymi dotyczącymi izolatów, ich pochodzenia, profili tolerancji oraz obecności genów oporności: Data_on_isolates_tolerance_profiles.csv,Trzy pliki zawierające zdjęcia posiewów mikrobiologicznych z zahamowaniem wzrostu izolatów na podłożu BHI dla trzech powtórzeń technicznych: Images_of_growth_inhibition_of_isolates_BHI_1st_technical_replicate.zip, Images_of_growth_inhibition_of_isolates_BHI_2nd_technical_replicate.zip, Images_of_growth_inhibition_of_isolates_BHI_3rd_technical_replicate.zip,Trzy pliki zawierające zdjęcia posiewów mikrobiologicznych z zahamowaniem wzrostu izolatów na podłożu M-H + 1,2% krwi baraniej dla trzech powtórzeń technicznych: Images_of_growth_inhibition_of_isolates_M-H_+_1.2%_sheep_blood_1st_technical_replicate.zip, Images_of_growth_inhibition_of_isolates_M-H_+_1.2%_sheep_blood_2nd_technical_replicate.zip, Images_of_growth_inhibition_of_isolates_M-H_+_1.2%_sheep_blood_3rd_technical_replicate.zip.Ponadto zbiór zawiera cztery zestawy plików przedstawiających wyniki elektroforezy agarozowej PCR dla poszczególnych genów oporności: Electrophoresis_results_for_the_qacE_gene.zip, Electrophoresis_results_for_qacF_gene.zip, Electrophoresis_results_for_the_qacG_gene.zip, Electrophoresis_results_for_the_qacH_gene.zip, Electrophoresis_results_for_the_qacJ_gene.zip, Electrophoresis_results_for_the_brcABC_gene.zip i Electrophoresis_results_for_the_ermC_gene.zip.Pliki zapisano w formatach .csv, .jpg oraz .png, a zostały przygotowane przy użyciu programów Microsoft Word oraz Microsoft Excel. Dane przedstawiają wyniki badań nad analizą tolerancji 51 izolatów bakterii Listeria innocua, pochodzących z surowych i przetworzonych produktów mięsnych oraz ze środowiska zakładów przetwórstwa mięsa, na chlorek benzalkoniowy, środek dezynfekcyjny powszechnie wykorzystywany w przemyśle spożywczym. Tolerancję oznaczano metodą metodą dyfuzji w agarze na dwóch podłożach: agarze Brain Heart Infusion (BHI) oraz agarze Mueller–Hinton (M-H) suplementowanym 1,2% krwi owczej, przy stężeniach BC wynoszących 0, 5, 10, 15, 20, 25, 30, 35, 40 i 45 µg/mL, co umożliwiło określenie minimalnych stężeń hamujących (MIC). Przeprowadzono także analize obecności siedmiu wybranych genów oporności na czwartorędowe sole amoniowe (QAC), do których należy chlorek benzalkoniowy (qacE, qacF, qacG, qacH, qacJ, brcABC i ermC), z z zastosowaniem techniki PCR.</p
Tris(1-methylimidazole)zinc(II) triflate as a durability-enhancing ionic admixture for cement composites
No full textThe dataset contains source data obtained within the framework of the NCN project 2022/45/B/ST8/02288 entitled “Design of cement composites using sustainable ionic compounds: Evaluation of structural and functional properties,” related to the research results obtained for zinc(II) triflate tris(1-methylimidazole).The presented data concern the characterization of the synthesized ionic liquid as well as the cement composites produced using this compound. The files included in this dataset relate to the tests listed below.Research methodology:The ionic liquid was characterized using UV–Vis spectroscopy (T-9100 UV–Vis spectrophotometer, PEAK Instruments) and X-ray diffraction (XRD; X’Pert PRO MPD X-ray diffractometer, PANalytical). Cement composites were characterized by heat of hydration (according to PN-EN 196-9; TESTING Bluhm & Feuerherdt GmbH), microstructure evaluation (SEM with EDS mapping for Zn presence; Tescan VEGA3 microscope equipped with a QUANTAX EDS system from Bruker), pore structure characterization by mercury intrusion porosimetry (Quantachrome Poremaster 33), shrinkage measurements using the Graf–Kaufman apparatus, and thermal stability of cement composites assessed by TGA–DTG analysis (Jupiter STA 449 F3, Netzsch).</p
Transaction data from Uniswap liquidity pools on Ethereum Blockchain from 06.06.2023 to 30.06.2024.
No full textThe data set comprises transaction data executed via the Uniswap Universal Router in the most liquid pool on the Ethereum blockchain.The transaction data was extracted from the Ethereum blockchain via a free plan on the Infura service (https://www.infura.io/), with filtering by liquidity pool smart contract address for each exchange rate.CSV file name - exchange rate with the Uniswap version number and provision fee.1st column - transaction time, 2nd column - exchange rate, 3rd column - volume</p
Differential cross section for the dp breakup reaction at 190MeV/nucleon
No full textThe differential cross section for the 1H(d,pp)n breakup reaction at deuteron beam energy of 380 MeV has been determined with high precision for 189 angular configurations of outgoing protons. The data have been measured by the international WASA-at-COSY Collaboration using the WASA detector at COSY in Forschungszentrum Juelich (Germany). The data cover polar angles of two protons in the exit channel, theta1 and theta2, between 5o and 15o and their relative azimuthal angle phi12 between 20o and 180o.</p
Opóźniona interwencja u dzieci i młodzieży z otyłością olbrzymią
No full textOtyłość u dzieci stanowi coraz większy globalny problem zdrowotny, a wśród małych dzieci występuje coraz większa częstość występowania ciężkiej otyłości. Celem pracy było określenie średniego wieku, w którym pojawia się otyłość olbrzymia u polskich dzieci oraz ocena czasu pomiędzy diagnozą a skierowaniem do specjalistycznej opieki. Metody: Analizę danych przeprowadzono w czterech polskich ośrodkach endokrynologii dziecięcej specjalizujących się w leczeniu otyłości u dzieci w okresie od lipca 2022 r. do listopada 2023 r. W badaniu wzięło udział 367 dzieci i młodzieży (186 chłopców, 181 dziewcząt) w wieku 0–18 lat, u których na podstawie kryteriów BMI dla wieku rozpoznano otyłość olbrzymią. Pomiary antropometryczne wykonano w trakcie włączania pacjenta do badania oraz na podstawie dotychczasowej dokumentacji medycznej. Dla wszystkich bieżących i przeszłych pomiarów obliczono wskaźniki BMI i BMI Z-score. Wyniki: Mediana wieku badanej populacji w momencie włączenia do badania wynosiła 13,7 ± 2,9 lat (zakres: 2,2-18 lat). Mediana BMI wyniosła 40,9 ± 5,1 kg/m2 (zakres: 30,1-65,8 kg/m2), a mediana BMI Z-score wyniosła 2,7 ± 0,4 (zakres: 2,3-6,2). Spośród 367 dzieci objętych badaniem 327 (89%) weszło w okres dojrzewania. Analiza wcześniejszych pomiarów wykazała, że u 83% dzieci otyłość występowała już w momencie najwcześniejszego zarejestrowanego pomiaru BMI, przy czym mediana wieku wystąpienia otyłości wynosiła 3,2 roku. Mediana wieku skierowania do opieki specjalistycznej wyniosła 10 ± 5,0 lat, co odzwierciedla opóźnienie od diagnozy do ukierunkowanej opieki medycznej wynoszące prawie 7 lat. Wnioski: Badanie to podkreśla znaczne opóźnienie pomiędzy wystąpieniem otyłości olbrzymiej a skierowaniem pacjenta do specjalistycznej opieki, podkreślając potrzebę wcześniejszego opracowania strategii interwencyjnych dostosowanych do wieku, płci i etapu rozwoju.Badania te zostały w całości sfinansowane przez Narodowe Centrum Nauki, Polska (2021/41/B/NZ5/01676).W załączonym pliku znajdują się surowe dane, użyte do analizy, powiązane z publikacją.</p
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