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Fusion of DSC and FTIR data with physicochemical profiling to distinguish berry seed oils by extraction methods
No full textBerry seed oils (strawberry, raspberry, blackcurrant) were extracted using three different types of extraction (cold press, solvent/hexane, and supercritical extraction). Physicochemicals characteristics of the resulting oils were investigated, the analyses were mentioned as follow: peroxide value (mili Equivalent O2/kg oil), angle hue (°), chroma (°), DPPH (µmol Trolox equivalent/g oil), total carotenoid (mg/100 g), chlorophyll (mg of pheophytin A/100 g oil), p-anisidine value (unit), acid value (mg KOH/g oil), conjugated dienes or K232 (unit), conjugated trienes or K268 (unit), oxidation induction time at 140 °C and 120 °C (minutes), alpha-beta-gamma-delta-vitamin E tocopherols (mg/100 g), fatty acids (mg/g), and yield (%). Normalised heat flow (W/g) of melting profile from differential scanning calorimetry were investigated at 5 °C/min. Raw FTIR spectra absorbance (unit) of all samples were recorded at room temperature (25 °C) without any sample pre-treatment.</p
Salt-stress biomarkers tested in four Salicornia europaea L. inland populations in shoots and roots
No full textThis dataset accompanies the article “The local environment influences salt tolerance differently in four Salicornia europaea L. inland populations” and contains measurements of biomass, antioxidant enzyme activities (peroxidase, catalase, superoxide dismutase), and stress biomarkers (malondialdehyde, hydrogen peroxide, proline) of shoots and roots, from four inland populations of S. europaea: Inowrocław and Ciechocinek (Poland), and Salzgraben Salzdahlum and Soltauquelle (Germany). Data are provided in spreadsheet format (.ods) with separate worksheets for each trait category, enabling assessment of population-specific physiological responses to salinity.</p
Zagrożenia bezpieczeństwa związane z obszarami niepodlegającymi jurysdykcji państwowej - część 3
No full textZbiór zawiera dane zebrane w ramach projektu OPUS27 nr 2024/53/B/HS5/00272 pt. Zagrożenia bezpieczeństwa związane z obszarami niepodlegającymi jurysdykcji państwowej (Security threats related to areas beyond national jurisdiction) finansowanego przez Narodowe Centrum Nauki.Dokumenty zostały wykorzystane na potrzeby publikacji naukowej Agnieszka Szpak, Magdalena Redo, Joanna Rezmer, Karolina Gawron-Tabor, Jakub Kufel, Areas beyond national jurisdiction in the strategic documents of NATO and the EU – a comparative analysis, “Comparative Strategy”, 2025, DOI: 10.1080/01495933.2025.2571623.</p
Gastrointestinal response to the early administration of antimicrobial agents in growing turkeys infected with Escherichia coli
No full textThis study investigated the effects of the early administration of enrofloxacin (E) or doxycycline (D) for the first 5 consecutive days of life, or the continuous administration of the coccidiostat monensin (M) throughout the rearing period on gastrointestinal function in turkeys infected with avian pathogenic Escherichia coli (APEC) in an early or later stage of rearing. Experiment 1 lasted 21 d, and turkeys in groups E, D, and M were infected with APEC on d 15. Experiment 2 lasted 56 d, and it had a factorial arrangement of treatments where birds in groups E, D, and M were infected with APEC on d 15 or d 50. In both experiments, control groups (C) consisted of infected and uninfected birds without antibiotic or coccidiostat administration. On d 21 (Experiment 1) and d 56 (Experiment 2), 8 birds from each subgroup were killed, and the ileal and cecal digesta were sampled to analyze the activity of bacterial enzymes and the concentrations of short-chain fatty acids (SCFA). The experimental treatments did not affect the final body weight or body weight gain of birds. Both experiments demonstrated that APEC contributed to an increase in ammonia levels of the cecal digesta (means from 2 experiments: 0.311 vs. 0.225 mg/g in uninfected birds) and ileal pH (6.79 vs. 6.00) and viscosity (2.43 vs. 1.83 mPas). Moreover, the E. coli challenge enhanced the extracellular activity of several cecal bacterial enzymes, especially in older turkeys infected with APEC in a later stage of life. The continuous administration of monensin throughout the rearing period resulted in a weaker gastrointestinal response in older birds, compared with the other 2 antibiotics administered for the first 5 d of life. The results of the study are inconclusive as both desirable and undesirable effects of preventive early short-term antibiotic therapy were observed in turkeys, including normalization of ileal viscosity and cecal ammonia concentration (positive effect), and disruption in cecal SCFA production (negative effect).</p
Elucidating mechanochemical reactivity of a ternary halogen-bonded cocrystal system by computational and calorimetric studies
No full textAIM: To estimate the mechanochemical interconversion of halogen bonded cocrystals with the help of periodic-DFT calculations. In this study, we have examined a more complex case of the formation of three component cocrystals starting from the two component cocrystal.Methods: We have performed the periodic DFT calculations for the halogen bonded cocrystals under study using CASTEP code. To verify the theoretical outcomes the mechanochemical interconversions were performed and the materials produced were characterized using the X-ray diffraction measurements (SCXRD and PXRD) and thermal studies (DSC and TGA). Further to estimate the accuracy of the calculated interconversion energy, dissolution calorimetry measurements were performed. Additionally, we have conducted molecular energy framework calculations to clarify the role of various intermolecular interactions in favouring the formation of ternary cocrystals. Details of these measurements and calculations are given below.Mechanochemical Interconversion ReactionMilling reactions were conducted using a Retsch MM400 shaker mill, equipped with a 10 ml stainless steel jar containing two 7 mm steel balls, operating at 30 Hz for 30 minutes. All reactants were taken in a stoichiometric equimolar ratio, scaled to a total mass of 200 mg. Additionally, 10 μl of liquid additives (including ethanol, acetonitrile, and/or hexane) were added to the reaction mixture. The milled products were dried in open air and characterized using Powder X-ray diffraction (PXRD).Powder X-ray Diffraction (PXRD) AnalysisThe solids obtained from mechanochemical grinding were analyzed using Powder X-ray diffraction (PXRD) measurements. These measurements were conducted on a Bruker D8 Advance diffractometer, equipped with a Lynxeye detector and utilizing CuKα (λ = 1.54184 Å) radiation source, operating at 40 kV and 40 mA. The scan covered a 2θ range of 3 to 40 degrees, with a step size of 0.04 degrees.Single-Crystal X-ray Diffraction (SCXRD) MeasurementHigh-quality single crystals of (tftib)(pyr)½ (tpss)½ were grown through slow evaporation from acetonitrile and used for diffraction studies at 100 K. Diffraction data were collected using the Agilent Technologies Super Nova Single Source diffractometer with MoKα radiation (λ = 0.71073 Å), with the data analyzed using CrysAlis Pro software. The structure determination was performed using the SHELX package, where the structure was solved via direct methods, followed by successive least-squares refinement based on the full-matrix least-squares method on F², utilizing the SHELXL program. The hydrogen atoms were positioned on the carbon atoms as determined from the Fourier map. Figures for this publication were prepared using Olex2 and Mercury software.Thermogravimetryic Analysis (TGA) and Differential Scanning Calorimetry (DSC) Measurements~2-10 mg of each sample was taken in a standard 70 μl alumina crucible and heated from 30 to 300 °C at a heating rate of 10ºC per minute using Mettler-Toledo TGA/DSC STARᵉ system. All the experiments were performed in the dry nitrogen atmosphere.Dissolution Calorimetry MeasurementsThe calorimetric dissolution enthalpies of the cocrystal and its constituents were determined in acetonitrile at 25°C using TAM IV calorimeter. ~ 2.5 –3.5 mg of the solid sample and 15 ml acetonitrile solvent were placed in the sample cartridges and calorimeter cell, respectively. Then the cell was mounted inside the calorimeter and allowed to reach thermal equilibrium overnight followed by stirring at 60 rpm. The related baseline criteria were set as follows: heat flow (baseline slope within 30 min) < 500 nW/h, heat flow standard deviation < 100 nW. The sample was exposed to the solvent by releasing the sample cartridge into the calorimeter cell after the baseline equilibration period. Integration of the heat flow signal was used to obtain the total heat associated with the dissolution process. Finally, the enthalpy of dissolution was measured by subtracting the heat signal for blank samples. The experiments were performed in triplicate.Periodic DFT calculationsThe structure of the (tftib)(pyr)½ (tpss)½ cocrystal obtained from the SCXRD experiment was used as a starting point for the periodic DFT geometry optimization, while the structures of the other cocrystals and individual coformers were obtained from the Cambridge Structural Database (CSD). Covalently bonded hydrogens were normalized to their neutron diffraction values using Mercury, after which the structures were converted into the input format of CASTEP using cif2cell utility for geometry optimization. The unit cell parameters and atomic coordinates were optimized with a constraint on crystal symmetry. The calculations were performed at 800eV plane wave basis cutoff with ultrasoft on-the-fly generated pseudopotentials, combining the PBE functional with either Grimme dispersion correction (D3) or many-body dispersion correction (MBD*) using CASTEP (version 22.11) code. The convergence criteria for the calculation were set as follows: energy = 2 x 10˗5 eV/atom, force = 5 x 10˗2 eV/Å, displacement = 10˗3 Å, stress = 10˗2 GPA. The energies of cocrystal formation were calculated by subtracting the sum of the coformer energy per molecule from the energy of the cocrystal per molecule.Molecular energy framework calculationsInteraction energy and energy framework calculations were performed with the CrystalExplorer (version 17.5) software package starting from the periodic DFT optimized geometry. The calculations were performed with the B3LYP/DGDZVP method for all the molecular pairs within the sphere of radius 20 Å for each of the symmetry-distinct molecules in the asymmetric unit. The cylindrical tube size was set to 100 for all energy framework calculations.ConclusionPeriodic DFT calculations were able to assess the phase interconversion of the halogen bonded cocrystals and the formation of the three-component cocrystal. Theoretically predicted interconversion energies were found in agreement with the experimentally observed values. Further, the molecular energy framework calculations gave us a clear understanding of the preference for the three component cocrystal formation over their two-component counterparts.Supplementary files available here: https://doi.org/10.1039/D3CP04358D </p
Shape memory polymer foam based on nanofibrillar composites of polylactide/polyamide
No full textThe deposited data contain results obtained from measurements: SEM, Rheometry, DMA, and compression tests.The attached data are provided in the form of text and Excel files typical of the respective software used.The attached data were obtained using the following tests:Uniaxial extension tests on samples were conducted using an extensional viscosity fixture (EVF) attached to the ARES rheometer. Rectangular specimens, measuring 18 × 10 × 0.7 mm³, were either prepared by hot compression molding at 200 °C in a standard mold (for blend) or cut from extruded tapes (for composite). These specimens were stretched uniaxially at 160 °C with constant Hencky strain rates of 0.05 and 0.5 s⁻1.Thermally activated shape memory characterization of foamed samples was conducted using a Q800 DMA instrument with the film tension clamp under controlled strain and controlled force modes. The dual shape memory properties were enforced by a primary strain of 20% applied at 60 °C. The strain was then held constant while the sample was cooled to room temperature and then released. To observe the memory effect, the samples were heated to 62 °C for 30 min to recover the shape.The mechanical properties of the foamed samples were tested under plane-strain compression using the Instron 5582 tensile testing machine. The test temperature was 25 °C. The specimen was compressed at a rate of 5% of the initial thickness per minute. The specimens had a rectangular shape with a size of 8 × 4 × 3 mm.The structure of the foams was analyzed by scanning electron microscopy (SEM) using a JEOL JSM 6010 LV/LA microscope. The internal structure of the samples was visualized by cutting at liquid nitrogen temperature.</p
Data of analysis of the combined effect of diversified Zn(II) content in the diet and Cr(III) supplementation on the overall nutritional and growth parameters in Wistar rats
No full textThe data concern the combined effect of diversified Zn(II) content in the diet and Cr(III) supplementation on the overall nutritional (food intake, feeding efficiency ratio, body mass gain) and growth parameters (final body weight, BMI, Lee index, absolute and relative organ masses) of Wistar rats. The in vivo experiment was conducted on Wistar rats randomly assigned to 6 experimental groups with different dietary Zn levels (deficient D, recommended K, excess N) and at the same time supplemented with Cr(III) at doses of 1 and 50 mg/kg for 6 weeks. The study adhered to strict ethical standards for animal research and was approved by the Local Ethical Committee in Poznań, Poland (No. 48/2018).</p
Modeling oil consumption in Baumeister and Hamilton's (2019) model of the global oil market. Replication codes
No full textThis dataset contains both time series describing the global crude oil market (prices, production, inventories, global demand) as well as Matlab/R scripts that allows to replicate the results described in the article "Modelling oil consumption in Baumeister and Hamilton’s (2019) model of the global oil market" published in Economics Letters. The detailed instruction on how to use the attached codes is presented in the `readme.txt` file.</p
Gene expression of TBP, PBGD, NRF2, SOD, CAT in U-138 MG cell line treated with CBD, celecoxib, 2,5-DMC, CBD+celecoxib, CBD+2,5-DMC treatment
No full textThe data represent the expression of TBP, PBGD, NRF2, SOD, and CAT genes in U-138 MG cells after 24-hour treatment with 5 µM and 10 µM cannabidiol (CBD), celecoxib, 2,5-dimethylcelecoxib (2,5-DMC), CBD + celecoxib, and CBD + 2,5-DMC. Gene expression was analyzed using the quantitative polymerase chain reaction (qPCR) method.</p
ApeFD: Apemen Faces Database
No full textThe dataset contains 620 photorealistic portrait images of 31 hominin-like faces (15 female, 16 male), available in multiple ocular colouration variants, paired with geometric morphometric and norming data. The images are to be used for qualitative and quantitative analyses as well as stimuli in experimental studies. A detailed description of the methodology adopted to create the dataset is included in the readme.txt file.</p
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