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Structural and Functional Plasticity of Human Adenylate Kinase 4: Insights from Enzymatic, Biophysical, and Computational Studies - Computational Data
No full textComputational data - analysis of hAK4 protein using MD simulations, simulations were carried out in GROMACS 2021.3All files can be opened in plain text editor. For additional information, see README file.</p
Electrochemical data for Ion-Mediated Adsorption of Amyloid-β Peptides at the Biomimetic Liquid/Liquid Interface
No full textThis data describes the electrochemical investigation of amyloid beta peptide adsorption at the liquid/liquid interface between an aqueous and a dichloroethane phase.Contents of the attached files are described in the readme file and the related publication.</p
Wykaz otwartych danych artykułu: Pierwsza miłość w egodokumentach dziewcząt międzywojnia na przykładzie tekstów Ireny Kwiatkowskiej i Sonii Caplan
No full textTen zbiór danych zawiera listę źródeł, jakie zostały użyte w artykule, jak i również kolekcje linków do bibliotek cyfrowych (m.in. polona.pl) odsyłających do zdigitalizowanych źródeł. Zbiór zawiera ponadto kolekcję linków do bibliotek i repozytoriów cyfrowych odsyłających do literatury przedmiotu użytej do badań. Wskazane w wypisach kolekcje cyfrowe są udostępniane na zasadach Open Access.Artykuł przedstawia analizę porównawczą dwóch egodokumentalnych relacji napisanych przez dziewczęta, które dorastały w międzywojennej Polsce. Badanie opiera się na wybranych broszurach edukacyjnych i poradnikach psychologicznych, które definiowały normy emocjonalne dla dziewcząt i młodych kobiet. W tekście znajdują się odpowiedzi na pytanie o sposoby opisu „pierwszej miłości”. Narzędzia badawcze wypracowane przez historyków emocji, a także perspektywa badań nad dziewczęcością pozwoliły nie tylko zgłębić złożoną naturę tego doświadczenia, które jest osadzone w różnych dyskursach kulturowych i społecznych, ale także podkreślić jego emancypacyjne aspekty.</p
Final energy consumption mix structures in EU agriculture, agribusiness and the total economy (2014–2022) with NECP 2030 targets, monotonicity and attainment-year projections
No full text[ENG:]The dataset covers energy consumption structures in agriculture, agribusiness, and the overall economy in European Union countries for the years 2014–2022. The data were developed for 18 EU countries (scenario 1) and 22 EU countries (scenario 2). The spatial scope of the dataset covers the European Union area. The dataset contains information on final energy consumption structures broken down into six energy sources, in line with the classification used in the National Energy and Climate Plans (NECPs). In addition to observed data, the dataset also includes target energy consumption structures for 2030, derived from NECP documents, as well as estimated and scaled energy structures determined on the basis of targets for the share of renewable energy sources (RES).A key component of the dataset consists of projections of the years in which the target energy consumption structure will be achieved, estimated using two distance-based methods: Euclidean and Manhattan, based on the dynamics of changes in energy structures over the periods 2014–2022 and 2018–2022. In addition, the dataset includes a monotonicity indicator (Monotonicity_Level_(η)), which enables an assessment of the consistency and directionality of structural changes over time. The data were developed using an input-output method that integrates economic and energy information, allowing analysis of both direct and indirect energy consumption in agriculture, agribusiness, and the overall economy.[PL:]Zbiór danych obejmuje struktury zużycia energii w rolnictwie, agrobiznesie oraz całej gospodarce w krajach Unii Europejskiej w latach 2014–2022. Dane zostały opracowane dla 18 krajów UE (scenariusz 1) oraz 22 krajów UE (scenariusz 2). Zakres przestrzenny zbioru obejmuje obszar Unii Europejskiej. Zbiór zawiera informacje o strukturach zużycia energii końcowej z podziałem na sześć źródeł energii, zgodnie z klasyfikacją stosowaną w Krajowych Planach na rzecz Energii i Klimatu (KPEiK/NECPs). Oprócz danych obserwowanych uwzględniono również docelowe struktury zużycia energii na rok 2030, wynikające z dokumentów NECP, a także oszacowane i skalowane struktury energii, wyznaczone na podstawie celów dotyczących udziału odnawialnych źródeł energii (OZE).Istotnym elementem zbioru są projekcje lat osiągnięcia docelowej struktury zużycia energii, oszacowane przy użyciu dwóch metod odległościowych: euklidesowej oraz Manhattan, na podstawie dynamiki zmian struktur energii w okresach 2014–2022 oraz 2018–2022. Dodatkowo w zbiorze zawarto wskaźnik monotoniczności (Monotonicity_Level_(η)), umożliwiający ocenę spójności i kierunkowości zmian strukturalnych w czasie. Dane zostały opracowane z wykorzystaniem metody input–output, integrującej informacje ekonomiczne i energetyczne, co pozwala na analizę zarówno bezpośredniego, jak i pośredniego zużycia energii w rolnictwie, agrobiznesie i całej gospodarce.</p
Hybrid acousto-optical spin control in quantum dots
No full textComputed data for the article "Hybrid acousto-optical spin control in quantum dots" to be published in Physical Review Letters. The dataset consists of tabular text files. Each file contains data for a curve (x, y columns) or color map (x, y, value columns) presented in a manuscript figure panel with both the curve/map number and panel defined by the file name. All numbers are given in units as in the corresponding manuscript figures. Detailed information is given in the README.md file.</p
Research data for article "Computational insights into two-photon absorption of centrosymmetric organoboron complexes"
No full textData for the research project aiming at studies of structure-property relationships for centrosymmetric organoboron complexes containing BF groups. During project implementation ab initio quantum chemistry methods (RI-CC2 method and cc-pVDZ basis set) were employed to study the symmetry-allowed electronic two-photon transition to the lowest excited state of Ag symmetry, considering both the effect of core topology as well as substituent. The ZIP archive contains results of electronic-structure calculations. README.TXT file contains essential information related to the dataset. </p
High-pressure growth effects on the superconducting properties of Sm-based oxypnictide superconductors
No full textExperimental data collected for the preparation of the manuscript: "High-pressure growth effects on the superconducting properties of Sm-based oxypnictide superconductors"Title: High-pressure growth effects on the superconducting properties of Sm-based oxypnictide superconductorsAuthors: Mohammad Azam, Manasa Manasa, Tatiana Zajarniuk, Ryszard Diduszko, Taras Palasyuk, Tomasz Cetner, Andrzej Morawski, Cezariusz Jastrzębski, Andrzej Szewczyk, Michał Wierzbicki, Shiv J. SinghCeramics International 51 (2025) 13734–13751Abstract:High-pressure synthesis can be an effective method for improving the sample quality of materials as well as their superconducting properties. In this paper, the synthesis process of F-doped SmFeAsO has been optimized by preparing a series of bulk SmFeAsO0.8F0.2 (Sm1111) using the high gas pressure and high-temperature synthesis (HP-HTS) method, considering various growth parameters like growth pressures (0–1 GPa) and heating time (0.5–2 h) at the low synthesis temperature of 900 oC. Structural, microstructural, Raman spectroscopic, transport, and magnetic measurements are employed to comprehensively analyze these bulks and derive the conclusive findings. The parent SmFeAsO0.8F0.2 prepared by the conventional synthesis process at ambient pressure (CSP) has a transition temperature (Tc) of around 53–54 K, and the critical current density (Jc) of 103 A/cm2 at 5 K with a small amount of the impurity phases (SmOF and SmAs), consistent with previous reports. Interestingly, all bulks synthesized by HP-HTS have almost the same Tc and Jc as the parent sample. The optimal growth conditions are obtained as 900◦C, 1 h, and 0.5 GPa with the sealed Ta-tube, which slightly improved the sample quality and the superconducting properties compared to other bulks grown by HP-HTS. Our study confirms that the existence of the impurity phases in the 1111 family is very robust and cannot be reduced by HPHTS, leading to only a small variation in the observed superconducting properties of Sm1111 whether prepared by CSP or HP-HTS. This is the first comprehensive investigation of the high-pressure development of Sm1111, which shows distinct behaviour from other families of iron-based superconductors.Note: In the published article,Figure 1 is the block diagram of the preparation conditions. (No dataset for this figure)Figure 6 is the scanning electron microscope (SEM) image of SmFeAsO0.80F0.20, samples prepared under different conditions. (No dataset for this figure)Fig. 1. The preparation conditions of three distinct batch SmFeAsO0.8F0.2 samples using the HP-HTS technique under varying conditions are depicted. These batches are defined by considering the ground and direct pellet of the parent sample P. (No dataset for this figure)Fig. 2. (a) X-ray diffraction patterns (XRD) of powder SmFeAsO0.8F0.2 sample (P) prepared by CSP at ambient pressure, ground, and pelletized samples G0, G1, G2, G3, and G4 prepared by HP-HTS at constant heating temperature 900◦C and time 1 h under different growth pressures of 0, 0.3, 0.5, 0.7 and 1 GPa. (b) An enlarged view of the main peak (102) position is depicted. The variation of (c) lattice parameter (a), (d) lattice parameter (c), and (e) unit cell volume (V) with the various synthesis pressures (0–1 GPa) for the sample G0, G1, G2, G3, and G4.Fig. 3. (a) X-ray diffraction patterns (XRD) of powder SmFeAsO0.8F0.2 sample of the parent P prepared by CSP at ambient pressure, and direct pellet samples D0, D1, and D2 prepared by HP-HTS at constant temperature 900◦C and time 1 h under different growth pressure of 0 GPa, 0.5 GPa, and 1 GPa. (b) An enlarged view of the main peak (102) position is depicted. The variation of (c) lattice parameter (a), (d) lattice parameter (c), and (e) unit cell volume (V) with the various pressures (0–1 GPa) for the sample D0, D1, and D2.Fig. 4. (a) X-ray diffraction patterns (XRD) of powder SmFeAsO0.8F0.2 parent P sample prepared by CSP at ambient pressure, and ground and pelletized samples T1, T2, and T3 prepared by HP-HTS at constant temperature 900◦C and the growth pressure of 0.5 GPa under different heating time of 0.5, 1 and 2 h. (b) An enlarged view of the main peak (102) position is depicted. The variation of (c) lattice parameter (a), (d) lattice parameter (c), and (e) lattice volume (V) with the various growth time (0.30–2 h) for the sample T1, T2, and T3.Fig. 5. (a) Raman scattering spectrum acquired for the “G” batch is shown, and major spectral features are present in spectra obtained under different synthesis pressures. Experimental spectrum (open circles) is fitted by peaks of Lorentzian line shape (solid lines). (b), (c), (d) Variation of peak positions measured for samples from “G”, “D” and “T” batches.Fig. 7. (a) The variation of resistivity (ρ) with the temperature up to the room temperature (b) Low-temperature variation of the resistivity up to 60 K for the parent P sample synthesized under various pressure 0–1 GPa prepared by HPHTS method, and ground and pelletized samples: G0: 0 GPa, G1: 0.3 GPa, G2: 0.5 GPa and G3: 0.7 GPa and G4: 1 GPa.Fig. 8. (a) The variation of resistivity (ρ) with the temperature up to the room temperature (b) Low-temperature variation of the resistivity up to 60 K for the parent P sample, and direct pellet samples D0: 0 GPa, D1: 0.5 GPa, D2: 1 GPa prepared by HP-HTS.Fig. 9. (a) The variation of resistivity (ρ) with the temperature up to the room temperature (b) Low-temperature variation of the resistivity up to 60 K for the parent P sample, and ground and pelletized parent samples for different heating times T1 for 0.5 h, T2 for 1 h and T2 for 2 h, prepared by HP-HTS at constant temperature 900 ◦C and growth pressure of 0.5 GP.Fig. 10. The temperature dependence of the normalized magnetic moment in ZFC and FC mode at the magnetic field of 20 Oe for (a) the parent P sample, and ground and pelletized samples: G2: 0.5 GPa and G4: 1 GPa with Parent P sample (b) the parent P sample, and direct pellet samples D0: 0 GPa, D1: 0.5 GPa, D2: 1 GPa (c) the parent P sample, and ground and pelletized parent samples for different heating times T1 for 0.5 h, T2 for 1 h and T2 for 2 h prepared by HP-HTS.Fig. 11. The variation of the critical current density (Jc) at 5 K with the applied magnetic field up to 9 T (a) for the parent sample, G2 and G4 at 5 K (b) for parent P, D1, D2 (c) for parent P, T2 and T3. The inset shows the magnetic hysteresis loop (M–H) for P, G2 and G4 in Figure (a), P, D1 D2 in Figure (b) and P, T2, T3 in Figure (c).Fig. 12. The variation of (a) the onset transition temperature (Tconset) (b) the transition width (ΔT), (c) room temperature resistivity (ρ300 K) (d) RRR (= ρ300K/ρ60 K), (e) critical current density (Jc) of SmFeAsO0.8F0.2 with the various growth pressure for the parent P and G-batch: G0: 0 GPa, G1: 0.3 GPa, G2: 0.5 GPa and G3: 0.7 GPa and G4: 1 GPa prepared by HP-HTS.Fig. 13. The variation of (a) the onset transition temperature (Tconset) (b) thetransition width (ΔT), (c) room temperature resistivity ρ300 K (d) RRR (= ρ300 K / ρ60 K), (e) critical current density (Jc) of SmFeAsO0.8F0.2 with the various growth pressure for the parent P and D-batch samples. D0, D1, and D2 are prepared by HP-HTS at constant temperature 900 ◦C and time 1 h under different growth pressure of 0, 0.5, and 1 GPa.Fig. 14. The variation of (a) the onset transition temperature (Tconset) (b) the transition width (ΔT), (c) room temperature resistivity ρ300 K (d) RRR (= ρ300 K/ρ60 K), (e) critical current density (Jc) of SmFeAsO0.8F0.2 with the various growth pressure for the parent P and T-batch samples. T1, T2, and T3 are prepared by HP-HTS at constant temperature 900◦C and the growth pressure of 0.5 GPa under different heating temperature of 0.5, 1 and 2 h, respectively.Fig. 15. The variation of (a) the onset transition temperature (Tconset) (b) the critical current density Jc values of various Sm1111 bulk samples prepared by HP-HTS with the growth pressure. The Jc dependence of (c) the superconducting Sm1111 phase (%) obtained from XRD and (d) the sample density for some selected G, D and T-batch samples.</p
Amino functionalized 2-oxazoline copolymers used as non-viral vectors for nucleic acid delivery: impact of polymer structure and composition
No full textDatabase reports chemical data on obtaining of poly(2-oxazoline)s containing amino groups of different order and characterization (NMR spectra, SEC MALLS chromotagrams) of polymers.For further details, see Description of each file.CSV files use semicolon `;` as the separator sign.</p
Supplementary experimental data for SPS sintering of martensitic stainless steel
No full textThe dataset contains selected supplementary experimental data supporting research on Spark Plasma Sintering (SPS) of martensitic stainless steel. It includes illustrative figures published in the associated article, such as SEM and EDS images of powders, XRD patterns, schematic diagrams of the SPS process, microstructures after selected processing steps, and representative process curves. The data are provided for documentation and transparency purposes and do not constitute a complete set of raw experimental data.</p
Wykaz otwartych danych artykułu: Sprawczość w badaniach nad historią społeczną dziewcząt. Przykład międzywojennego Tarnowa
No full textTen zbiór danych zawiera listę źródeł, jakie zostały użyte w artykule, jak i również kolekcje linków do bibliotek cyfrowych (m.in. jagiellońskiej biblioteki cyfrowej i polona.pl) odsyłających do zdigitalizowanych źródeł. Zbiór zawiera ponadto kolekcję linków do bibliotek i repozytoriów cyfrowych odsyłających do literatury przedmiotu użytej do badań. Kolekcje cyfrowe wskazane w wypisach są udostępniane na zasadach Open Access.Artykuł odpowiada na pytanie, w jaki sposób dziewczęta międzywojennego Tarnowa mogły być sprawcze. Analizę dyskursów określających ramy funkcjonowania dziewcząt, poprzedziła próba określenia struktury społecznej i jej przemian w międzywojennym mieście. Z badań zaprezentowanych w artykule wynika, że jakkolwiek w międzywojennym Tarnowie olbrzymią rolę odgrywał świat wartości tradycyjnych, wyraźnie było widać, że dziewczęta z różnych środowisk i warstw w coraz większym zakresie poszerzały pole autonomii, a sprawczość aktorek życia społecznego przejawiała się głównie w mikrodziałaniach, co wzmacniały procesy demokratyzacji i indywidualizacji.</p