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Wyniki wyszukiwania dla: deep eutectic solvent
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Thermochemistry of rare earth perovskites Na3xRE0.67−xTiO3 (RE = La, Ce)
PublikacjaHigh-temperature oxide melt solution calorimetry using sodium molybdate (3Na2O·4MoO3) solvent at 973 K was performed for the Na3xRE0.67−xTiO3 (RE = La, Ce) perovskite series. The enthalpies of formation of lanthanum perovskites from oxides (La2O3, Na2O, TiO2), are −107.25 ± 2.56, −93.83 ± 6.06, −80.68 ± 5.93, and −33.49 ± 4.26 kJ/mol and enthalpies of formation from elements are −1614.05 ± 5.37, −1596.44 ± 7.68, −1594.03 ± 7.58,...
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The importance of the shape of the protein–water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublikacjaA single kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in the solvation shell change along with the nature of the neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water are not very different from bulk water. The local...
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Coordination polymers and molecular structures among complexes of mercury(II) halides with selected 1-benzoylthioureas
PublikacjaSix new 1-benzoyl-3-phenylthiourea and 1-benzoyl-3-(2-methylphenyl)thiourea complexes of mercury( II) were obtained in the reactions of the ligands with HgX2 in methanol (X = Cl, Br, I). Their structures, determined by single-crystal X-ray diffraction analysis, exhibit different stoichiometries and molecular organization. Coordination centers adopt more or less distorted tetrahedral geometry (five structures) or distorted trigonal...
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Effectiveness of various types of coating materials applied in reinforced concrete exposed to freeze–thaw cycles and chlorides
PublikacjaThis study assesses the durability of coated and uncoated concrete surfaces protected with four different coating materials: water-soluble (BW), solvent-based (BR), mineral (MI), and epoxy (EP). The durability assessment includes evaluating the absorption rate of water, pull-off adhesion strength, and coating material thickness. Concrete samples were subjected to immersion in regular water and a 7% urea solution, followed by...
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An improved scalable method of isolating asphaltenes
PublikacjaA new, improved and scalable procedure of asphaltene fraction isolation is presented and compared to standard test methods. The new procedure uses 1:40 feedstock to solvent (n-heptane) ratio (g/mL), filtration through a cellulosic thimble and extensive washing in a Soxhlet type extractor. The group type composition and purity of the asphaltene fractions have been examined using thin-layer chromatography with flame-ionization detection....
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Method for the simultaneous determination of monoaromatic and polycyclic aromatic hydrocarbons in industrial effluents using dispersive liquid-liquid microextraction with GC-MS
PublikacjaWe present a new method for simultaneous determination of 22 monoaromatic and polycyclic aromatic hydrocarbons in postoxidative effluents from the production of petroleum bitumen using dispersive liquid-liquid microextraction coupled to gas chromatography and mass spectrometry. The eight extraction parameters including the type and volume of extraction and disperser solvent, pH, salting out effect, extraction and centrifugation...
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Hydration of Simple Model Peptides in Aqueous Osmolyte Solutions
PublikacjaThe biology and chemistry of proteins and peptides are inextricably linked with water as the solvent. The reason for the high stability of some proteins or uncontrolled aggregation of others may be hidden in the properties of their hydration water. In this study, we investigated the effect of stabilizing osmolyte–TMAO (trimethylamine N-oxide) and destabilizing osmolyte–urea on hydration shells of two short peptides, NAGMA (N-acetyl-glycine-methylamide)...
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Ultrasound assisted extraction
PublikacjaThe use of green and sustainable extraction techniques is very popular topic in the multidisciplinary area of chemistry, biology and technology. There is no doubt that extraction constitutes a very important step of analytical procedures of separation, detection, identification and determination of wide spectrum analytes from samples characterized by complex and very often nonhomogeneous composition of matrix. Traditional techniques...
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Porosity and swelling properties of novel polyurethane–ascorbic acid scaffolds prepared by different procedures for potential use in bone tissue engineering
PublikacjaIn this work, a novel polyurethane (PU) system based on poly(ethylene-butylene) adipate diol, 1,6-hexamethylene diisocyanate, 1,4-butanediol, and ascorbic acid was used to prepare scaffolds with potential applications in bone tissue engineering. Two fabrication methods to obtain porous materials were chosen: phase separation (PS)/salt particle leaching (PL) and solvent casting (SC)/salt PL. The calculated porosity demonstrated...
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SURFACTANTS IN KLODNICA RIVER (KATOWICE, POLAND). PART II. QUATERNARY AMMONIUM COMPOUNDS
PublikacjaThe paper presents methods of determination of analytes of the cation group (alkyl benzyl dimethyl ammonium (BDDA-C12-C16), alkyl trimethyl ammonium (TMA), hexadecyl piridinium (HP)) in surface water and bottom sediment samples. In the sample preparation phase the solid phase extraction (SPE) or accelerated solvent extraction/ultrasound assisted extraction (ASE/UAE)-SPE technique was used and in the identification phase and quantitative...
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Chromium‑based metal organic framework for pipette tip micro‑solid phase extraction: an effective approach for determination of methyl and propyl parabens in wastewater and shampoo samples
PublikacjaAbstract Background A chromium-based metal organic framework was synthesized and employed as an efficient sorbent for pipette tip micro-solid phase extraction and preconcentration of parabens from wastewater and shampoo samples up to sub-ppb level before their spectrophotometric analysis. Results Factors affecting preconcentration including volume and type of solvent, amount of sorbent, number of extraction, and volume and pH of...
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DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
PublikacjaInteractions between a solvent and their co-solute molecules in solutions of peptides are crucial for their stability and structure. The K-peptide is a synthetic fragment of a larger hen egg white lysozyme protein that is believed to be able to aggregate into amyloid structures. In this study, a complex experimental and theoretical approach is applied to study systems comprising the peptide, water, and two co-solutes: trimethylamide...
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Impact of blending with polystyrene on the microstructural and electrochemical properties of SiOC ceramic
PublikacjaIn this work, we present the electrochemical behavior and microstructural analysis of silicon oxycarbide (SiOC) ceramics influenced by an addition of polystyrene (PS). Polymer-derived ceramics were obtained by pyrolysis (1000°C, Ar atmosphere) of different polysiloxanes prepared by sol–gel synthesis. This method is very effective to obtain desired composition of final ceramic. Two alkoxysilanes phenylthriethoxysilane and diphenyldimethoxysilane...
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Segmented bio-based polyurethane composites containing powdered cellulose obtained from novel bio-based diisocyanate mixtures
PublikacjaA considerable number of research works focus on the positive influence of cellulose on the properties of polymer-based composites and their wide range of application possibilities. The present work is focused on the synthesis of novel bio-based polyurethane (bio-PU) composites filled with powdered cellulose (microcellulose, MC) in an amount of 5 wt.%. Bio-PU composites were synthesized via a non-solvent prepolymer method. First,...
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Optimization of a Fabric Phase Sorptive Extraction protocol for the isolation of six bisphenols from juice pouches to be analysed by high performance liquid chromatography coupled with diode array detector
PublikacjaFabric Phase Sorptive Extraction (FPSE) combined with high pressure liquid chromatography using to diode array detection (HPLC-DAD) was applied for the simultaneous determination of bisphenols (BPA, BPB, BPC, BPE, BPF, BPS) in juice pouches. The FPSE procedure was optimized with regards to the critical parameters that affect the performance of the method including the selection of the FPSE membrane type and size, adsorption time,...
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Effectiveness of various types of coating materials applied in reinforced concrete exposed to freeze–thaw cycles and chlorides
PublikacjaThis study assesses the durability of coated and uncoated concrete surfaces protected with four Different coating materials: water-soluble (BW), solvent-based (BR), mineral (MI), and epoxy (EP). The durability assessment includes evaluating the absorption rate of water, pull-of adhesion strength, and coating material thickness. Concrete samples were subjected to immersion in regular water and a 7% urea solution, followed by cyclic...
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Efficient optimization approaches for microwave assisted extraction of high-quality antioxidant compounds from Salvia officinalis L.: UHPLC-HRMS differential analysis of phenolic profiles obtained by ultrasound and microwave extraction
PublikacjaThe study aims to optimize MAE of total phenolic compounds (TPC) and antioxidant capacity from Salvia officinalis L. leaves using a definitive screening design (DSD) and I-optimal design. UHPLC-HRMS analysis was used to identify and compare the composition of MAE and UAE optimal extracts. The results showed that DSD and I-optimal design were successfully applied for the optimization of MAE targeting phenolics and other antioxidants...
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Ontology-based text convolution neural network (TextCNN) for prediction of construction accidents
PublikacjaThe construction industry suffers from workplace accidents, including injuries and fatalities, which represent a significant economic and social burden for employers, workers, and society as a whole.The existing research on construction accidents heavily relies on expert evaluations,which often suffer from issues such as low efficiency, insufficient intelligence, and subjectivity.However, expert opinions provided in construction...
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Self-Association of Amphotericin B: Spontaneous Formation of Molecular Structures Responsible for the Toxic Side Effects of the Antibiotic
PublikacjaAmphotericin B (AmB) is a lifesaving antibiotic used to treat deep-seated mycotic infections. Both the pharmaceutical activity and highly toxic side effects of the drug rely on its interaction with biomembranes, which is governed by the molecular organization of AmB. In the present work we present detailed analysis of self-assembly of AmB molecules in different environments, interesting from the physiological standpoint, based...
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A Triplet-Learnt Coarse-to-Fine Reranking for Vehicle Re-identification
PublikacjaVehicle re-identification refers to the task of matching the same query vehicle across non-overlapping cameras and diverse viewpoints. Research interest on the field emerged with intelligent transportation systems and the necessity for public security maintenance. Compared to person, vehicle re-identification is more intricate, facing the challenges of lower intra-class and higher inter-class similarities. Motivated by deep...
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Numerical and experimental study on effect of boundary conditions during testing of stiffened plates subjected to compressive loads
PublikacjaThis study analyses the effect of boundary conditions during testing on the structural behaviour stiffened plates with different thicknesses subjected to compressive loads. The goal of the compressive tests is to analyse the ultimate strength of a stiffened plate. During the test, relevant physical quantities are measured and investigated. The supporting structure's behaviour is investigated by analysing the force-displacements...
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Molybdenum-uranium-vanadium geochemistry in the lower Paleozoic Alum Shale of Scandinavia: Implications for vanadium exploration
PublikacjaThis paper investigates the hyper-enrichments of molybdenum (Mo), uranium (U), and vanadium (V) in the lower Paleozoic, Alum Shale of Denmark, Sweden, Norway, and Estonia. Molybdenum and U are mainly associated with organic matter and the highest contents are found in the Furongian part of the Alum Shale. This Furongian hyper-enrichment of Mo and U commenced with the Steptoean Positive Carbon Isotope Excursion (SPICE) event. The...
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Multiclass AdaBoost Classifier Parameter Adaptation for Pattern Recognition
PublikacjaThe article presents the problem of parameter value selection of the multiclass ``one against all'' approach of an AdaBoost algorithm in tasks of object recognition based on two-dimensional graphical images. AdaBoost classifier with Haar features is still used in mobile devices due to the processing speed in contrast to other methods like deep learning or SVM but its main drawback is the need to assembly the results of binary...
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Artificial intelligence for software development — the present and the challenges for the future
PublikacjaSince the time when first CASE (Computer-Aided Software Engineering) methods and tools were developed, little has been done in the area of automated creation of code. CASE tools support a software engineer in creation the system structure, in defining interfaces and relationships between software modules and, after the code has been written, in performing testing tasks on different levels of detail. Writing code is still the task...
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Electrocatalytic oxidation of methanol, ethylene glycol and glycerine in alkaline media on TiO2 nanotubes decorated with AuCu nanoparticles for an application in fuel cells
PublikacjaIn this work, we present the catalytic and photocatalytic activity of AuCu nanostructures obtained on TiO2 nanotubes toward methanol, ethylene glycol and glycerine oxidation. The electrode material is prepared by anodization of Ti foil, thin AuCu layer sputtering and rapid thermal treatment under argon atmosphere. Scanning electron microscopy images confirmed the presence of ordered tubular architecture of TiO2 as well as nanoparticles...
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Electron scattering from tin tetrachloride (SnCl4) molecules
PublikacjaAbsolute grand-total cross section (TCS) for electron scattering from a tin tetrachloride, SnCl4, molecule was measured at electron-impact energies ranging from 0.6 to 300 eV, in the linear electron-transmission experiment. The measured TCS energy dependence shows two very pronounced enhancements peaking near 1.2 eV and around 9.5 eV, separated with a deep minimum centered close to 3 eV. The low energy structure is attributed to...
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Data Acquisition and Processing for GeoAI Models to Support Sustainable Agricultural Practices
PublikacjaThere are growing opportunities to leverage new technologies and data sources to address global problems related to sustainability, climate change, and biodiversity loss. The emerging discipline of GeoAI resulting from the convergence of AI and Geospatial science (Geo-AI) is enabling the possibility to harness the increasingly available open Earth Observation data collected from different constellations of satellites and sensors...
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Architectural Modifications to Enhance Steganalysis with Convolutional Neural Networks
PublikacjaThis paper investigates the impact of various modifications introduced to current state-of-the-art Convolutional Neural Network (CNN) architectures specifically designed for the steganalysis of digital images. Usage of deep learning methods has consistently demonstrated improved results in this field over the past few years, primarily due to the development of newer architectures with higher classification accuracy compared to...
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Detecting Objects of Various Categories in Optical Remote Sensing Imagery Using Neural Networks
PublikacjaThe effective detection of objects in remote sensing images is of great research importance, so recent years have seen a significant progress in deep learning techniques in this field. However, despite much valuable research being conducted, many challenges still remain. A lot of research projects focus on detecting objects of a single category (class), while correctly detecting objects of different categories is much harder. The...
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Lipids and Food Quality
PublikacjaThis chapter deals with lipids present in food as well as their chemical, biological, and functional properties. The chapter begins with a presentation of the main groups of lipids including their chemical structure and physical properties. The physical properties of lipids affecting food processing are covered. Then, the role of lipids in human nutrition is presented. This is followed by a description of the undesirable changes...
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Synthesis and Properties of the Ba2PrWO6 Double Perovskite
PublikacjaWe report details on the synthesis and properties of barium praseodymium tungstate, Ba2PrWO6, a double perovskite that has not been synthesized before. Room-temperature (RT) powder X-ray diffraction identified the most probable space group (SG) as monoclinic I2/m, but it was only slightly distorted from the cubic structure. X-ray photoelectron spectroscopy confirmed that the initial (postsynthesis) material contained praseodymium...
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Exploring Neural Networks for Musical Instrument Identification in Polyphonic Audio
PublikacjaThe purpose of this paper is to introduce neural network-based methods that surpass state-of-the-art (SOTA) models, either by training faster or having simpler architecture, while maintaining comparable effectiveness in musical instrument identification in polyphonic music. Several approaches are presented, including two authors’ proposals, i.e., spiking neural networks (SNN) and a modular deep learning model named FMCNN (Fully...
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Motion Trajectory Prediction in Warehouse Management Systems: A Systematic Literature Review
PublikacjaBackground: In the context of Warehouse Management Systems, knowledge related to motion trajectory prediction methods utilizing machine learning techniques seems to be scattered and fragmented. Objective: This study seeks to fill this research gap by using a systematic literature review approach. Methods: Based on the data collected from Google Scholar, a systematic literature review was performed, covering the period from 2016...
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Buried Object Characterization Using Ground Penetrating Radar Assisted by Data-Driven Surrogate-Models
PublikacjaThis work addresses artificial-intelligence-based buried object characterization using 3-D full-wave electromagnetic simulations of a ground penetrating radar (GPR). The task is to characterize cylindrical shape, perfectly electric conductor (PEC) object buried in various dispersive soil media, and in different positions. The main contributions of this work are (i) development of a fast and accurate data driven surrogate modeling...
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Textile reinforced concrete members subjected to tension, bending, and in-plane loads: Experimental study and numerical analyses
PublikacjaTextile reinforced concrete has raised increasing research interest during the last years, mainly due to its potential to be used for freeform shell structures involving complex load situations. Yet, most experimental work has focused on test setups with primarily uniaxial loading. In the current work, such setups are complemented with a novel test setup of deep beams, including in-plane bending and shear. Further, nonlinear finite...
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Synthesis of 5-Substituted 1H-Tetrazoles from Nitriles in the Presence of Heterogeneous Catalyst
PublikacjaTetrazoles are five-membered heterocyclic compounds containing in their rings four nitrogen atoms. They have wide applications as corrosion inhibitors, analytical reagents, high-energy materials and gas generating compositions. Tetrazoles also play important role in coordination chemistry as ligands and in medicinal chemistry as metabolically stable surrogates for carboxylic acids. In recent years, investigation of new method of...
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Multi-residue method for the determination of 16 recently used pesticides from various chemical groups in aqueous samples by using DI - SPME coupled with GC-MS
PublikacjaA simple and solvent-free multi-residue method has been optimized to determine 16 currently used pesticides from different chemical groups in aqueous samples. The extraction of analytes was carried out with direct immersion solid-phase microextraction (DI-SPME) and for the identification and quantitative determination gas chromatography coupled with mass spectrometry (GC-MS) was applied. Two commonly used adsorbent coatings have...
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Studies on formation and percolation in ionic liquids/TX-100/water microemulsions
PublikacjaTernary microemulsion systems of H2O/Triton X-100/[BMIM][Tf2N], and H2O/Triton X-100/[BMIM][PF6] were prepared, compared and characterized for phase behavior for different water/surfactant ratios, at 25 °C. It was found that a change of an anion structure in the ionic liquids determines the total monophasic area of the systems. A liquid crystalline mesophase was detected in H2O/Triton X-100/[BMIM][PF6]. The microemulsion domains...
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Preparation and characterisation of solution-cast Nafion membrane
PublikacjaNafion is a commercial name for a perfluorosulfonic polymer, which has been developed in 1962 by Dupont de Nemours. This polymer consists of a polytetrafluoroethylene backbone and regular spaced long perfluorovinyl ether pendant side chains terminated by a sulfonate ionic group. These sulfonate groups are responsible for cation-exchange properties of Nafion. Thanks to the ion-exchange properties, water permeability, good chemical,...
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A review: Fabrication of porous polyurethane scaffolds
PublikacjaThe aim of tissue engineering is the fabrication of three-dimensional scaffolds that can be used for the reconstruction and regeneration of damaged or deformed tissues and organs. A wide variety of techniques have been developed to create either fibrous or porous scaffolds from polymers, metals, composite materials and ceramics. However, the most promising materials are biodegradable polymers due to their comprehensive mechanical...
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Mapping the Structural and Dynamic Determinants of pH-Sensitive Heparin Binding to Granulocyte Macrophage Colony Stimulating Factor
PublikacjaGranulocyte macrophage colony stimulating factor (GMCSF) is an immunomodulatory cytokine that is harnessed as a therapeutic. GMCSF is known to interact with other clinically important molecules, such as heparin, suggesting that endogenous and administered GMCSF has the potential to modulate orthogonal treatment outcomes. Thus, molecular level characterization of GMCSF and its interactions with biologically active compounds is critical...
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The Role of Electrostatics in Enzymes: Do Biomolecular Force Fields Reflect Protein Electric Fields?
PublikacjaPreorganization of large, directionally oriented, electric fields inside protein active sites has been proposed as a crucial contributor to catalytic mechanism in many enzymes, and it may be efficiently investigated at the atomistic level with molecular dynamics simulations. Here, we evaluate the ability of the AMOEBA polarizable force field, as well as the additive Amber ff14SB and Charmm C36m models, to describe the electric...
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Tetrahydroquinolinone derivatives exert antiproliferative effect on lung cancer cells through apoptosis induction
PublikacjaThe anticancer properties of quinolones is a topic of interest among researchers in the scientific world. Because these compounds do not cause side effects, unlike the commonly used cytostatics, they are considered a promising source of new anticancer drugs. In this work, we designed a brief synthetic pathway and obtained a series of novel 8-phenyltetrahydroquinolinone derivatives functionalized with benzyl-type moieties at position...
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A green route for high-performance bio-based polyurethanes synthesized from modified bio-based isocyanates
PublikacjaThe need for sustainability and a circular economy leads to the development of innovative greener materials and technologies. This paper is focused on a novel class of bio-based polyurethanes (PUs) synthesized with the use of bio-monomers including bio-based isocyanates. The novelty of this work is related to the usage of bio-based modified isocyanate via a two-step solvent-free synthesis of novel cast bio-based poly(ester-urethanes)...
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Gelatin and gelatin/starch-based films modified with sorbitol for wound healing
PublikacjaGelatin-based films modified with sorbitol were produced from gelatin solution or gelatin/starch blends using a simple and low-cost solvent casting method, and subsequently, their physicochemical, mechanical, and biocompatibility properties were characterized. This work focused on developing and optimizing a biopolymeric blend to improve the pure biopolymers’ properties for potential biomedical applications such as wound dressing....
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The Sonocatalytic Activation of Persulfates on Iron Nanoparticle Decorated Zeolite for the Degradation of 1,4-Dioxane in Aquatic Environments
PublikacjaIn the chemical industry, 1,4-diethylene dioxide, commonly called dioxane, is widely used as a solvent as well as a stabilizing agent for chlorinated solvents. Due to its high miscibility, dioxane is a ubiquitous water contaminant. This study investigates the effectiveness of catalyst- and ultrasound (US)-assisted persulfate (PS) activation with regard to degrading dioxane. As a first step, a composite catalyst was prepared using...
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Application of multivariate statistics in assessment of green analytical chemistry parameters of analytical methodologies
PublikacjaThe study offers a multivariate statistical analysis of a dataset, including the major metrological, “greenness” and methodological parameters of 43 analytical methodologies applied for aldrin determination (a frequently analyzed organic compound) in water samples. The variables (parameters) chosen were as follows: metrological (LOD, recovery, RSD), describing the “greenness” (amount of the solvent used, amount of waste generated)...
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Analysis of pesticide residue in fruits and vegetables using analytical analytical protocol based on application of QuEChERS technique and GC-ECD system
PublikacjaQuEChERS sample preparation method was used for the determination of 10 pesticides and their metabolites in fruits (apple, grape) and vegetables (tomato, paprika), coupled to gas chromatography with electron capture detector (GC-ECD). The experimental parameters including amount of the sample, types of solvents, extraction time and types of sorbent at the purification stage were optimized. The GC-ECD method was validated in terms...
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Dielectric properties of modified graphene oxide filled polyurethane nanocomposites and its correlation with rheology
PublikacjaThis study aims at investigating the dynamic mechanical, dielectric and rheological properties of reinforced polyurethane (PU) nanocomposites containing hydrophilic graphene oxide (GO) and/or hydrophobic modified graphene oxide (mGO) sheets. The organic modification of GO was performed with 4,4′-methylenebis (phenyl isocyanate) (MDI) and the samples were prepared by solvent mixing. We found that addition of mGO provides a more...
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Thermodynamic Characteristics of Phenacetin in Solid State and Saturated Solutions in Several Neat and Binary Solvents
PublikacjaThe thermodynamic properties of phenacetin in solid state and in saturated conditions in neat and binary solvents were characterized based on differential scanning calorimetry and spectroscopic solubility measurements. The temperature-related heat capacity values measured for both the solid and melt states were provided and used for precise determination of the values for ideal solubility, fusion thermodynamic functions, and...