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The TPR reduction profile of CeO2/10wt.%Cu with BCD - 2 cycles
Dane BadawczeThe dataset includes the TPR reduction profiles of CeO2/10wt.%Cu. The samples of nanoCeO2 impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes two cycles of reduction (samples oxidized in between)
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The TPR reduction profile of CeO2/10wt.%Mn with BCD - 2 cycles
Dane BadawczeThe dataset includes the TPR reduction profiles of CeO2/10wt.%Mn. The samples of nanoCeO2 impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes two cycles of reduction (samples oxidized in between)
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The TPR reduction profile of CeO2/10wt.%Co with BCD - 2 cycles
Dane BadawczeThe dataset includes the TPR reduction profiles of CeO2/10wt.%Co. The samples of nanoCeO2 impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes two cycles of reduction (samples oxidized in between)
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The TPR reduction profile of CeO2/10wt.%Ni with BCD - 2 cycles
Dane BadawczeThe dataset includes the TPR reduction profiles of CeO2/10wt.%Ni. The samples of nanoCeO2 impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes two cycles of reduction (samples oxidized in between)
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The TPR reduction profile of CeO2/10wt.%Fe with BCD - 2 cycles
Dane BadawczeThe dataset includes the TPR reduction profiles of CeO2/10wt.%Fe. The samples of nanoCeO2 impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes two cycles of reduction (samples oxidized in between)
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Buried Object Characterization by Data-Driven Surrogates and Regression-Enabled Hyperbolic Signature Extraction
PublikacjaThis work addresses artificial-intelligence-based buried object characterization using FDTD-based electromagnetic simulation toolbox of a Ground Penetrating Radar (GPR) to generate B-scan data. In data collection, FDTD-based simulation tool, gprMax is used. The task is to estimate geophysical parameters of a cylindrical shape object of various radii, buried at different positions in the dry soil medium simultaneously and independently...
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The TPR reduction profile of CeO2/10wt.%Co without BCD - 2 cycles
Dane BadawczeThe dataset includes the TPR reduction profiles of CeO2/10wt.%Co. The samples of nanoCeO2 impregnated without BCD-assisted precursor solution (betacyclodextrin). The dataset includes two cycles of reduction (samples oxidized in between)
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The TPR reduction profile of CeO2/10wt.%Ni without BCD - 2 cycles
Dane BadawczeThe dataset includes the TPR reduction profiles of CeO2/10wt.%Ni. The samples of nanoCeO2 impregnated without BCD-assisted precursor solution (betacyclodextrin). The dataset includes two cycles of reduction (samples oxidized in between)
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The TPR reduction profile of CeO2/10wt.%Cu without BCD - 2 cycles
Dane BadawczeThe dataset includes the TPR reduction profiles of CeO2/10wt.%Cu. The samples of nanoCeO2 impregnated without BCD-assisted precursor solution (betacyclodextrin). The dataset includes two cycles of reduction (samples oxidized in between)
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The TPR reduction profile of CeO2/10wt.%Mn without BCD - 2 cycles
Dane BadawczeThe dataset includes the TPR reduction profiles of CeO2/10wt.%Mn. The samples of nanoCeO2 impregnated without BCD-assisted precursor solution (betacyclodextrin). The dataset includes two cycles of reduction (samples oxidized in between)
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Novel fast analytical method for indirect determination of MCPD fatty acid esters in edible oils and fats based on simultaneous extraction and derivatization
PublikacjaA novel method for indirect determination of MCPD esters levels in lipid samples has been developed. The method is based on combination of extraction and derivatisation in the same sample preparation step. It is achieved by the application of diethyl ether as extraction solvent for isolation of released from esterified forms analytes from water phase and dilution solvent for solid PBA – derivatisation agent. It is a noteworthy...
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Chemical structures, rheological and physical properties of biopolyols prepared via solvothermal liquefaction of Enteromorpha and Zostera marina biomass
PublikacjaIn this work, liquefied biomass from the Baltic Sea was used for the preparation of rigid polyurethane (PUR) foams. The biomass contained 10 wt% of Enteromorpha macroalgae and 90 wt% of Zostera marina seagrass characterized by a high content of cellulose. The influence of time, temperature and the type of solvent on the efficiency of the liquefaction process and properties of biopolyols was determined. Obtained materials were analyzed...
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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublikacjaThe importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized...
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BET adsorption-desorption isotherm of nano-MgO
Dane BadawczeThe dataset includes the isotherms of adortion and desorption of N2 at LN2 temperature. The sorption isotherms were obtained using Quatachrome NovaTouch LX1 equippment. The ceramic measured powder was composed of nanometric MgO (CA-assisted method of synthesis)
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BET adsorption-desorption isotherm of nano-ZrO2
Dane BadawczeThe dataset includes the isotherms of adortion and desorption of N2 at LN2 temperature. The sorption isotherms were obtained using Quatachrome NovaTouch LX1 equippment. The ceramic measured powder was composed of nanometric ZrO2 (CA-assisted method of synthesis)
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BET adsorption-desorption isotherm of nano-SrTiO3
Dane BadawczeThe dataset includes the isotherms of adortion and desorption of N2 at LN2 temperature. The sorption isotherms were obtained using Quatachrome NovaTouch LX1 equippment. The ceramic measured powder was composed of nanometric SrTiO3 (CA-assisted method of synthesis)
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The XRD diffraction patterns of reduced LSCNT prepared using two methods and two sintering temperatures
Dane BadawczeThe dataset includes XRD diffraction patterns of La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-s produced using two methods, namely organic (citrate assisted) and Pechini sintered at 1000 or 1200oC under air atmosphere and reduced at 900 for 12 h in wet H2.
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BET adsorption-desorption isotherm of CeO2 pure
Dane BadawczeThe dataset includes the isotherms of adortion and desorption of N2 at LN2 temperature. The sorption isotherms were obtained using Quatachrome NovaTouch LX1 equippment. The ceramic measured powder was composed of nanometric pure CeO2 (CA-assisted method of synthesis)
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The XRD pattern of CeO2/10wt.%Ni prepared with BCD
Dane BadawczeThe dataset includes the XRD pattern of CeO2/10wt.%Ni. The samples of nanoCeO2 were impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes the 5-90 2theta degree measurement. Nonreduced. Sintered at 400oC for 4h in air.
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A procedure for the determination of dichloromethane and tetrachloroethene in water using pervaporation and gas chromatography
PublikacjaIn the present study, pervaporation was applied to the determination of tetrachloroethene (PCE) and dichloromethane (DCM) in liquid samples. PCE is the most commonly used solvent in dry-cleaning processes. PCE belongs to group 2A of carcinogens (probably carcinogenic to humans) according to the classification of the International Agency for Research on Cancer (IARC). DCM is also widely used as an industrial solvent for the purification...
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Environmental risk- based ranking of solvents by the combination of multimedia model and multi-criteria decision analysis
PublikacjaA novel procedure for assessing the environmental risk related to solvents emissions has been developed. The assessment of risk is based on hazard and exposure detailed investigations. The potential exposure related to different environmental phases is calculated with basic multimedia model, that gives the percentage distribution of solvent in environmental compartments as a result. Specific hazards– toxicological, environmental...
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Hybrid cross-linked chitosan/protonated-proline:glucose DES membranes with superior pervaporation performance for ethanol dehydration
PublikacjaThis work explores a protonated L-proline:glucose (molar ratio 5:1) deep eutectic solvent (DES) in fabricating biopolymer membranes utilizing chitosan (CS). Initially, the miscibility of CS and DES to prepare homogeneous dense blend membranes has been investigated. Different techniques, such as scanning electron microscopy, contact angle (CA), atomic force microscopy (AFM), Fourier transformed infrared spectroscopy (FTIR) and swelling...
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Rapid multi-objective design optimization of miniaturized impedance transformer by Pareto front exploration
PublikacjaFast multi-objective optimization of compact impedance transformer is discussed. A set of alternative designs representing possible trade-offs between conflicting design criteria, i.e., electrical performance (here, wideband matching) and the structure size, is obtained through Pareto front exploration by means of surrogate-assisted methods.
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Cost-efficient multi-objective design optimization of antennas in highly-dimensional parameter spaces
PublikacjaMulti-objective optimization of antenna structures in highly-dimensional parameter spaces is investigated. For expedited design, variable-fidelity EM simulations and domain patching algorithm are utilized. The results obtained for a monopole antenna with 13 geometry parameters are compared with surrogate-assisted optimization involving response surface approximation modeling.
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Fluctuation-Enhanced Sensing
PublikacjaFluctuation-enhanced sensing (FES) is an exciting and relatively new research field that promises to extend the range of information that can be extracted from a single sensor. In FES, the stochastic fluctuations of the sensor signal, rather than its average value, are recorded and analyzed. Typical components of such fluctuations are due to interactions at the microscopic level. Proper statistical analysis provides optimum sensory...
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Sol-gel derived lithium titanate powders measured by XPS method
Dane BadawczeFor sol-gel synthesis lithium acetate dehydrate from Alfa Aesar GmbH &Co and titanium (IV) butoxide 97% from Aldrich were used as reagents. Copper (II) nitrate from Alfa Aesar was used as a source of Cu dopant. It was added in the proper weight to get an x index equal 0, 0.1 and 0.2. In the first step lithium acetate and copper nitrate were dissolved...
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The XRD pattern of CeO2/10wt.%Mn prepared with BCD
Dane BadawczeThe dataset includes the XRD pattern of CeO2/10wt.%Mn. The samples of nanoCeO2 were impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes the 5-90 2theta degree measurement. Nonreduced. Sintered at 400oC for 4 h in air.
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The XRD pattern of CeO2/10wt.%Fe prepared with BCD
Dane BadawczeThe dataset includes the XRD pattern of CeO2/10wt.%Fe. The samples of nanoCeO2 were impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes the 5-90 2theta degree measurement. Nonreduced. Sintered at 400oC for 4 h in air.
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The XRD pattern of CeO2/10wt.%Ni with BCD
Dane BadawczeThe dataset includes the XRD pattern of CeO2/10wt.%Ni. The samples of nanoCeO2 were impregnated with BCD-assisted precursor nitrate solution (betacyclodextrin). The dataset includes 5-90 2 theta degree measurement. Nonreduced. Sintered at 400oC for 4h.
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The XRD pattern of CeO2/10wt.%Cu prepared with BCD
Dane BadawczeThe dataset includes the XRD pattern of CeO2/10wt.%Cu. The samples of nanoCeO2 were impregnated with BCD-assisted precursor solution (betacyclodextrin). The dataset includes the 5-90 2theta degree measurement. Nonreduced. Sintered at 400oC for 4 h in air.
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Pareto Ranking Bisection Algorithm for EM-Driven Multi-Objective Design of Antennas in Highly-Dimensional Parameter Spaces
PublikacjaA deterministic technique for fast surrogate-assisted multi-objective design optimization of antennas in highly-dimensional parameters spaces has been discussed. In this two-stage approach, the initial approximation of the Pareto set representing the best compromise between conflicting objectives is obtained using a bisection algorithm which finds new Pareto-optimal designs by dividing the line segments interconnecting previously...
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Chemical Composition of Atmospheric Air in Nemoral Scots Pine Forests and Submountainous Beech Forests: The Potential Region for the Introduction of Forest Therapy
PublikacjaStudies show that forests are one of the main recreational destinations. This can be explained by their beneficial effects on the health of their visitors, which can be attributed to compounds from the terpene group. The aim of this research was to determine the chemical composition of air in the interiors of Nemoral Scots pine forests and submountainous beech forests, with the determination of compounds of the terpene group. Samples...
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublikacjaIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Unusual Influence of Fluorinated Anions on the Stretching Vibrations of Liquid Water
PublikacjaInfrared (IR) spectroscopy is a commonly used and invaluable tool in the studies of solvation phenomena in aqueous solutions. Concurrently, ab initio molecular dynamics (AIMD) simulations deliver the solvation shell picture at a molecular detail level and allow for a consistent decomposition of the theoretical IR spectrum into underlying spatial correlations. Here, we demonstrate how the novel spectral decomposition techniques...
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Molecular basis of the osmolyte effect on protein stability: a lesson from the mechanical unfolding of lysozyme
PublikacjaOsmolytes are a class of small organic molecules that shift the protein folding equilibrium. For this reason, they are accumulated by organisms under environmental stress, and find applications in biotechnology where proteins need to be stabilized or dissolved. However, despite years of research, debate continues over the exact mechanisms underpinning the stabilizing and denaturing effect of osmolytes. Here, we simulated the mechanical...
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Perspectives on the replacement of harmful organic solvents in analytical methodologies: a framework toward the implementation of a generation of eco-friendly alternatives
PublikacjaVolatile organic solvents derived from non-renewable fossil feedstocks are commonplace in analytical laboratories. In spite of their convenient performance in countless unit operations, their environmental, health and safety issues represent a major area of concern. The progressive replacement of organic solvents obtained from fossil resources by eco-friendly alternatives would involve remarkable advances within the framework of...
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Parametrization and Correlation Analysis Applied to Music Mood Classification .
PublikacjaThe paper presents a study on music mood categorization. First, a review of music mood models is presented. Then, the preparation of a set of music excerpts to be used in the experiments and music parametrization is described. Next, some listening tasks performed to obtain mood descriptors are introduced. Finally,the correlation between mood descriptors and features extracted from parameters is discussed. The paper concludes with...
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Rough Set-Based Classification of EEG Signals Related to Real and Imagery Motion
PublikacjaA rough set-based approach to classification of EEG signals registered while subjects were performing real and imagery motions is presented in the paper. The appropriate subset of EEG channels is selected, the recordings are segmented, and features are extracted, based on time-frequency decomposition of the signal. Rough set classifier is trained in several scenarios, comparing accuracy of classification for real and imagery motion....
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CLICK 'n' Sleep: Light-Switch Behavior of Triazole-Containing Tris(bipyridyl)ruthenium Complexes
PublikacjaA set of RuII complexes incorporating triazole subunits are presented. They show a solvent-dependent light-switch effect. Theoretical calculations revealed the excited states involved in the emission process. The findings are highly important for future design of light-switch sensors and suggest a severe restriction for functional photomolecular devices synthesized by CLICK chemistry.
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Soxhlet Extraction and New Developments Such as Soxtec in: Comprehansive Sampling and Sample Preparation
PublikacjaSoxhlet extraction is one of the most popular techniques for extraction of analytes from solid materials. Since its discovery in 1879, the standard Soxhlet technique has been routinely applied in almost every analytical laboratory. Up to this day, Soxhlet extraction technique remains a standard technique to which the performance of modern extraction techniques is compared.Over the years, an intensive research on different modifications...
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The XRD pattern of CeO2/10wt.%Cu prepared without BCD
Dane BadawczeThe dataset includes the XRD pattern of CeO2/10wt.%Cu. The samples of nanoCeO2 were impregnated without BCD-assisted precursor solution (betacyclodextrin) - pure nitarte solution 1M. The dataset includes the 5-90 2theta degree measurement. Nonreduced. Sintered at 400oC for 4 h in air.
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The XRD pattern of CeO2/10wt.%Fe prepared without BCD
Dane BadawczeThe dataset includes the XRD pattern of CeO2/10wt.%Fe. The samples of nanoCeO2 were impregnated without BCD-assisted precursor solution (betacyclodextrin) - pure nitarte solution 1M. The dataset includes the 5-90 2theta degree measurement. Nonreduced. Sintered at 400oC for 4 h in air.
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The XRD pattern of CeO2/10wt.%Mn prepared without BCD
Dane BadawczeThe dataset includes the XRD pattern of CeO2/10wt.%Mn. The samples of nanoCeO2 were impregnated without BCD-assisted precursor solution (betacyclodextrin) - pure nitarte solution 1M. The dataset includes the 5-90 2theta degree measurement. Nonreduced. Sintered at 400oC for 4 h in air.
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The XRD pattern of CeO2/10wt.%Co prepared without BCD
Dane BadawczeThe dataset includes the XRD pattern of CeO2/10wt.%Co. The samples of nanoCeO2 were impregnated without BCD-assisted precursor solution (betacyclodextrin) - pure nitarte solution 1M. The dataset includes the 5-90 2theta degree measurement. Nonreduced. Sintered at 400oC for 4 h in air.
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The XRD pattern of CeO2/10wt.%Ni prepared without BCD
Dane BadawczeThe dataset includes the XRD pattern of CeO2/10wt.%Ni. The samples of nanoCeO2 were impregnated without BCD-assisted precursor solution (betacyclodextrin) - pure nitarte solution 1M. The dataset includes the 5-90 2theta degree measurement. Nonreduced. Sintered at 400oC for 4 h in air.
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BASECOL2023 scientific content
PublikacjaContext. The global context of making numerous data produced by researchers available requires collecting and organising the data, assigning meaningful metadata, and presenting the data in a meaningful and homogeneous way. The BASECOL database, which collects inelastic rate coefficients for application to the interstellar medium and to circumstellar and cometary atmospheres, meets those requirements. Aims. We aim to present the...
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Thermgravimetric analysis (TGA) data of cement pastes containing pristine and silica-coated bismuth oxide and gadolinium oxide particles
Dane BadawczeThermogravimetric (TGA) data of cement pastes after 2, 7 and 28 days. Samples designations: Control, BG, BG-A and BG-B are associated with the specimen names in the associated publication.
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XPS study of the lithium titanate doped by copper
Dane BadawczeLithium titanate doped by copper was measured by X-ray photoemission spectroscopy. For sol-gel synthesis lithium acetate dehydrate from Alfa Aesar GmbH &Co and titanium (IV) butoxide 97% from Aldrich were used as reagents. Copper (II) nitrate from Alfa Aesar was used as a source of Cu dopant. It was added in the proper weight to get an x index equal...
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The effect of interview location on the perception of Ecosystem Services provided by trees. A Polish case study.
Dane BadawczeSeveral survey research methods are available to study attitudes towards the environment, including: CAWI (computer-assisted Internet interview), CATI (computer-assisted telephone interview), CAPI (computer-assisted personal interview), and PAPI (paper-pencil interview). An increasingly popular CAWI approach is the geo-questionnaire – an internet survey...
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<i>N,N</i>'-diphenylthiourea acetone monosolvate
PublikacjaIn the title compound, C13H12N2S·C3H6O, the phenyl rings of the thiourea molecule are in syn and anti positions in relation to the C=S bond. Two molecules are connected by N-HS=C hydrogen bonds into a centrosymmetric dimer. An additional N-HO=C hydrogen bond to the acetone solvent molecule and some weak C-H interactions reinforce the crystal structure.