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Supramolecular umpolung: Converting electron-rich resorcin[4]arenes into potent CH-bonding anion receptors and transporters
No full textData for publication ''Supramolecular umpolung: Converting electron-rich resorcin[4]arenes into potent CH-bonding anion receptors and transporters''</p
Właściwości mechaniczne filmów chitozanowych
No full textPliki zawierają surowe dane badania właściwości mechaniczne filmów wylewanych z roztworów chitozanowych zawierających 1% fazy olejowej oraz dodatki aktywne (kwas rozmarynowy, kwas karnozowy oraz selenowy związek organiczny).The files contain raw data of the mechanical properties of films cast from chitosan solutions containing 1% oil phase and active additives (rosmarinic acid, carnosic acid and selenium organic compound).</p
Raw data and source data for figures in Multi-GPU UNRES for scalable coarse-grained simulations of very large protein systems investigation
No full textDataset containing input data and raw data for selected figures in "Multi-GPU UNRES for scalable coarse-grained simulations of very large protein systems" publication.For details see README.txt file.</p
Badanie występowania intencji dobrowolnych odejść pracowniczych w organizacjach
No full textW pliku znajduje się baza danych dotycząca występowania intencji dobrowolnych odejść pracowniczych wśród pracowników polskich firm. Poszczególne kolumny zawierają dane demograficzne i zawodowe respondentów oraz ich odpowiedzi na pytania ankiety dotyczące czynników sprzyjających planowaniu odejścia z firmy. Kolejne pytania w ankiecie dotyczyły kryteriów, takich jak:r1 – wynagrodzenie, r2 – satysfakcja z pracy, r3 – poczucie sprawiedliwości, r4 – możliwości awansu, r5 – możliwości rozwoju zawodowego, r6 – wydajność pracy, r7 – warunki pracy, r8 – atmosfera w zespole, r9 – uznanie i nagrody, r10 – relacje z przełożonymi, r11 – stabilność zatrudnienia, r12 – komunikacja w firmie, r13 – równowaga między życiem zawodowym a prywatnym, r14 – niezależność w pracy, r15 – poziom autonomii w pracy, r16 – odpowiedzialność zawodowa, r17 – zaangażowanie w pracę, r18 – możliwość pracy zdalnej, r19 – elastyczne godziny pracy, r20 – poczucie wypalenia zawodowego, r21 – obciążenie pracą, r22 – czas dojazdu do pracy, r23 – uznanie w pracy, r24 – zarządzanie organizacją, r25 – monotonność pracy, r26 – reputacja pracodawcy, r27 – kultura organizacyjna. Każde z tych kryteriów było oceniane przez respondentów na 5-stopniowej skali Likerta. Każdy wiersz (reprezentujący respondenta) opatrzony jest etykietą, którą jest wskazanie, czy pracownik wykazuje intencję odejścia z organizacji (1) czy też nie (0). Baza danych składa się z odpowiedzi 1030 respondentów. Jest ona w formacie xlsx. Umożliwia ona na przykład tworzenie modeli predykcyjnych opartych na uczeniu maszynowym czy dany pracownik jest zagrożony wystąpieniem dobrowolnego odejścia pracowniczego. Z danymi najlepiej pracować z wykorzystaniem oprogramowania, takiego np. jak Python lub R.</p
Dataset for BOLAUR TNA of ATMO-ACCESS
No full textOverviewThe dataset comprises measurements of atmospheric profiles, surface fluxes, and planetary boundary layer height for various days in 2021. The in-situ measurements were conducted on the rooftop platform (20 m above ground level) of the Warsaw Observatory Station at the Institute of Geophysics, Faculty of Physics, University of Warsaw (platform coordinates: 52°12'39.6" N, 20°58'57.4" E, 132 m a.s.l.). The remote-sensing observations were conducted form the ground platform of the Warsaw Observatory Station located in 80 m distance (52°12'40.5"N 20°59'00.2"E, 112 m. a.s.l.).In addition, dataset includes outputs from numerical simulations done by using the Large Eddy Simulation (LES) model, specifically the Parallelized LES Model (PALM). The simulations were carried out with a horizontal domain (x, y) of 5.0 km × 5.0 km and a vertical domain (z) of 5.0 km, precisely aligned with the geographic coordinates of the rooftop platform of the Warsaw Observatory Station.The dataset includes the following files:Atmospheric_profile_wos_YYYYMMDDhhmm_YYYYMMDDhhmm.ncGradient_Method_wos_YYYYMMDDhhmm_YYYYMMDDhhmm.ncWCT_Method_wos_YYYYMMDDhhmm_YYYYMMDDhhmm.ncSurface_data_wos_YYYYMMDDhhmm_YYYYMMDDhhmm.ncPALM_3d_wos_YYYYMMDDhhmm_YYYYMMDDhhmm.ncPALM_Flux_OUTPUT_wos_YYYYMMDDhhmm_YYYYMMDDhhmm.ncPALM_PBLH_OUTPUT_wos_YYYYMMDDhhmm_YYYYMMDDhhmm.ncPALM_TKE_OUTPUT_wos_YYYYMMDDhhmm_YYYYMMDDhhmm.ncFile InformationThe data is stored in netCDF format, with variables provided for each day at 30-minute intervals. Reading data in this format can be accessed with open software called Python, R, Julia, Panoply, GrADS, Ferret, NCO, and CDO.YYYYMMDDhhmm_YYYYMMDDhhmm represents the start and end date/time (year, month, day, hour, and minute).AcknowledgmentsThe PALM model simulations were carried out within the European Commission's Horizon 2020 programme (ATMO-ACCESS, G.A. no. 101008004) for TNA BOLUAR.The extensive review, quality assurance and check of the published dataset was done within the National Science Centre, Poland, Weave-UNISONO programme (AEROPAN, G.A. no. 2021/03/Y/ST10/00206).The Warsaw Observatory Station acknowledges long-term support of EARLINET/ACTRIS and funding of EC Horizon 2020 grants: no. 739530 (ACTRIS-PPP), no. 871115 (ACTRIS-IMP), and no. 101008004 (ATMO-ACCESS). ATTENTION:We offer a free access to this dataset. The user is however encouraged to share the information on the data use with the Remote Sensing Laboratory by sending an e-mail to rslab@fuw.edu.pl.In the case this dataset is used for a scientific communication (publication, conference contribution, thesis) we would like to kindly ask for considering to acknowledge data provision by adding the following statement in Acknowledgments: "We acknowledge the data originators R. G. Carneiro, L. Janicka, M. Karasewicz, and I.S. Stachlewska for the quality-assurance, evaluation, and provision of data sets of the Remote Sensing Laboratory at the Faculty of Physics of the University of Warsaw, Poland."</p
Data for publication entitled: Silver sulfide quantum dots stabilized with l-Cysteine - Optimization of synthesis in aqueous phase and optical characterization
No full textResearch data that was used to create the publication entitled Silver sulfide quantum dots stabilized with l-Cysteine - Optimization of synthesis in aqueous phase and optical characterization.In this study, we explore the characteristics of silver sulfide (Ag₂S) quantum dots (QDs) coated with l-cysteine (L-Cys). We clarify the formation process of Ag₂S/L-Cys QDs from AgNO₃, Na₂S, and L-Cys using FT-IR, TEM, and luminescence analyses. The impact of reaction conditions on spectroscopic properties, including absorption and emission spectra, fluorescence lifetime, and quantum yield, is systematically investigated. By examining the evolution of QD properties throughout the reaction, we propose an optimized synthesis approach. Furthermore, we demonstrate that Ag₂S QDs with sizes ranging from 4 to 6 nm can be effectively visualized using high-resolution transmission electron microscopy (HR-TEM), which is particularly advantageous for developing nanoparticle-based layers. Our findings are compared with existing literature to provide a comprehensive insight into the properties and potential applications of L-Cys-coated Ag₂S QDs.Please consult the readme.txt file for additional information.</p
Raw data of coarse-grained simulations of the ug46 antibacterial peptide
No full textThis data set contains the files pertaining to coarse-grained simulations with UNRES of the ug64 system. The archived subdirectories contain the input files for UNRES MREMD simulations, WHAM processing, clustering and resulting PDB and output files.See readme.txt for details.</p
Enhancing Stability of Microwave-Synthesized Cs2SnxTi1-xBr6 Perovskite by Cation Mixing
No full textThe double-perovskite material Cs2TiBr6 shows excellent photovoltaic potential, making it a promising alternative to lead-based materials. However, its high susceptibility to degradation in air has raised concerns about its practical application. This study introduces an interesting synthesis approach that significantly enhances the stability of Cs2TiBr6 powder. We implemented a gradual cation exchange process by substituting Ti4+ with Sn4+ in the efficient microwave-assisted synthesis method, developing a double perovskite Cs2SnxTi1-xBr6 type. A systematic study of increasing concentration of Sn4+ in Cs2TiBr6 perovskite has been performed to analyze the effect of Sn-doping degree on the chemical and thermal stability of the material and the optical features in both nitrogen and ambient atmospheres, significantly increasing the stability of the material in the air for over a week. Furthermore, introducing Sn4+ results in a more uniform polygonal crystal morphology of the powders and a slight band gap broadening. We show that microwave-assisted synthesis is highly efficient and cost-effective in producing more sustainable lead-free perovskite materials with enhanced stability and desirable electrical characteristics. This work suggests a promising method for synthesizing perovskite materials, opening new routes for scientific research and applications.</p
Removal of endocrine disturbing compounds from solution using cold atmospheric pressure plasma technology
No full textThe set of data contains results of removal of endocrine disturbing compounds from solution using direct current atmospheric pressure glow discharge or pulse modulated-radio frequency atmospheric pressure glow discharge.The research was carried out within Sonata 15 project (UMO-2019/35/D/ST8/04107) financed by National Science Center (Poland).The set of data contains:acquired data for UV/Visacquired data for ATR FT-IRdetermined EDCs concentrations in the studied solutions.</ol
Research data for manuscript: Pressure-induced aggregation of associating liquids as a driving Force enhancing hydrogen bond cooperativity
No full textThe behavior of hydrogen bonds under extreme pressure is still not well understood. Until now, the shift of the stretching vibration band of the X–H group (X = the donor atom) in infrared spectra has been attributed to the variation in the length of the covalent X–H bond. Herein, we combined infrared spectroscopy and X-ray diffraction experimental studies of two H-bonded liquid hexane derivatives, i.e., 2-ethyl-1-hexanol and 2-ethyl-1-hexylamine, in diamond anvil cells at pressures up to the GPa level, with molecular dynamics simulations covering similar thermodynamic conditions. Our findings revealed that the observed changes in the X–H stretching vibration bands under compression are not primarily due to H-bond shortening resulting from increased density but mainly due to cooperative enhancement of H-bonds caused by intensified molecular clustering. This sheds new light on the nature of H-bond interactions and the structure of liquid molecular systems under compression.The dataset contains high-pressure FTIR spectra of 2-ethyl-1-hexanol (2E1H) and 2-ethyl-1-hexylamine (2E1HA).</p
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