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Modeling the pH effects on nitrogen removal in the anammox-enriched granular sludge
PublikacjaThe aim of the study was to determine the pH effects on nitrogen removal in the anammox-enriched granular sludge. The experimental data were extracted from a 4L completely-mixed batch reactor with the granular sludge at different initial pH values (6.5, 7, 7.5, 8, 8.5, 9, 9.5, 10, 10.5) and constant temperature T=30℃. Simulations were run in GPS-X 6.4 using a comprehensive mechanistic model Mantis2. Two kinetic parameters, including...
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Tolerance-Aware Multi-Objective Optimization of Antennas by Means of Feature-Based Regression Surrogates
PublikacjaAssessing the immunity of antenna design to fabrication tolerances is an important consideration, especially when the manufacturing process has not been predetermined. At the same time, the antenna parameter tuning should be oriented toward improving the performance figures pertinent to both electrical (e.g., input matching) and field properties (e.g., axial ratio bandwidth) as much as possible. Identification of available trade-offs...
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Feature Weighted Attention-Bidirectional Long Short Term Memory Model for Change Detection in Remote Sensing Images
PublikacjaIn remote sensing images, change detection (CD) is required in many applications, such as: resource management, urban expansion research, land management, and disaster assessment. Various deep learning-based methods were applied to satellite image analysis for change detection, yet many of them have limitations, including the overfitting problem. This research proposes the Feature Weighted Attention (FWA) in Bidirectional Long...
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Release of Encapsulated Bioactive Compounds from Active Packaging/Coating Materials and Its Modeling: A Systematic Review
PublikacjaThe issue of achieving controlled or targeted release of bioactive compounds with specific functional properties is a complex task that requires addressing several factors, including the type of bioactive, the nature of the delivery system, and the environmental conditions during transportation and storage. This paper deals with extensive reporting for the identification of original articles using Scopus and Google Scholar based...
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Copper(I) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence
PublikacjaReaction of copper(I) halides with chiral dithiodianthranilidesmdtaandbdtaafforded polymeric complexeswhere polynuclear CuX clusters were linked together by ditopic bridging ligands into 1D chains or 2D layerstructures. In the case of racemic ligands double stranded chain polymers were formed where the Cu4X4(X = I or Br) cores are connected by enantiomeric pairs of the ditopic ligands. In contrast, a homochiralmdtaligand created...
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The role of centrifugal partition chromatography in the removal of β-asarone from Acorus calamus essential oil
PublikacjaΒ-asarone is a phenylpropane derivative present in the rhizomes of Acorus calamus, that was proved to exhibit toxic effects in humans. Because of its presence the whole plant that is commonly used in traditional medicine for its sedative, anti-inflammatory, neuroprotective and other properties has limited application nowadays. In the study, qualitative and quantitative analysis of a collection of nine essential oil (EO) samples...
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Size Exclusion Coupled to Reversed Phase Liquid Chromatography for the Characterization of Cranberry Products
PublikacjaA combination of solvent extraction, size exclusion purification, and reversed-phase liquid chromatography with UV absorption and fluorescence detection was here used for the determination of flavan-3-ols and related oligomeric compounds in cranberry products. The method relied on robust, simple, and inexpensive instrumental equipment present in most of routine analytical laboratories. Sample extracts in methanol/water/hydrochloric...
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Solvation of ionic liquids based on N-methyl-N-alkyl morpholinium cations in dimethylsulfoxide – volumetric and compressibility studies
PublikacjaThe density and sound velocity of the solutions of ionic liquids based on N-alkyl-N-methyl-morpholinium cations, N-ethyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-butyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-methyl-N-octyl-morpholinium bis(trifluoromethanesulfonyl)imide and N-decyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide in dimethylsulfoxide were measured at T = (298.15 to 318.15)...
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Thermostability and photophysical properties of mixed-ligand carboxylate/benzimidazole Zn(II)-coordination polymers
PublikacjaThe reaction between Zn(NO3)2*6H2O or Zn(CH3COO)2*2H2O and isophthalic acid (1,3-H2bdc) in the presence of benzimidazole (Hbzim) in dimethylformamide (DMF)/ethanol (EtOH)/H2O solvent mixture at room temperature yielded two structurally different coordination polymers: [Zn2(1,3-bdc)2(Hbzim)2] (1) and [Zn2(1,3-bdc)(bzim)2] (2). (1) is a 2D-layered framework with a molecule of benzimidazole coordinated to the Zn center, whereas (2)...
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Solid phase microextraction: state of the art, opportunities and applications
PublikacjaSolid phase microextraction is one of the most popular green techniques used for sample preparations in analytical chemistry. It is a simple, rapid, sensitive, and solvent-free technique. Since SPME was first introduced in the early 1990s, there has been an intensification of research in order to elaborate new methodical solutions in many research facilities around the world, which could increase the use of this technique. More...
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Determination of flavanols by liquid chromatography with fluorescence detection. Application to the characterization of cranberry-based pharmaceuticals through profiling and fingerprinting approaches
PublikacjaIn this work, a new method based on reversed-phase high-performance liquid chromatography (HPLC) with fluorescence detection (FLD) was established for the determination of catechins and related oligomeric proanthocyanidins (PACs) in cranberry-based pharmaceuticals. Compounds were recovered by liquid extraction using methanol/water/hydrochloric acid (60:39:1, v:v:v) as the extraction solvent. The chromatographic separation was carried...
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Antibacterial polyurethanes, modifed with cinnamaldehyde, as potential materials for fabrication of wound dressings
PublikacjaThe epidermis is a skin layer, which protects an organism from the different factors of external environment. Therefore, the fast and effective regeneration of epidermis is important. Potential materials used for epidermis regeneration may be polyurethane scaffolds in form of the thin permeable layers. One and main disadvantage of such polyurethane scaffolds are their lack of antibacterial and antifungal properties. The great proposition...
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Ground tire rubber functionalization as a promising approach for the production of sustainable adsorbents of environmental pollutants
PublikacjaWaste tires management and further utilization are currently one of the biggest concerns regarding the environment and human health protection. At present, shredding, grinding, or pulverization of waste tires are the most popular options for industrial recycling. Although many solutions for ground tire rubber (GTR) applications were checked and verified so far, their further implementation at an industrial scale is still very limited....
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Do Phenyl Substituents Affect the Properties of Azobenzocrown Derivatives?
PublikacjaNew products of photo- and thermal rearrangements of 19-membered azoxybenzocrown with phenyl substituents in benzene rings in the para positions to oligooxyethylene fragments are characterized. The yields of photochemical transformations depend on the solvent. Para-hydroxyazocrown is formed with yields over 50% in propan-2-ol. Ortho-hydroxyazobenzocrown is obtained with yields up to 70% in toluene/acetic acid mixture. Macrocyclic...
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MoS2-containing composite membranes for separation of environmental energy-relevant liquid and gas mixtures: A comprehensive review
PublikacjaMolybdenum sulfide (MoS2) materials adapted into membranes have demonstrated potential for different areas dealing with molecular separations. For instance, MoS2-based membranes have been proposed for distinct environmental applications, such as water treatment, seawater desalination, gas separation, and solvent separation. Emergently, such membranes have been ultimately investigated for energy-relevant gas separation mixtures,...
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Consequences of New Approach of Chemical Stability Tests of Active Pharmaceutical Ingredients (APIs)
PublikacjaThere is a great need of broaden look on stability tests of active pharmaceuticalingredients (APIs) in comparison with current requirements contained in pharmacopeia.By usage of many modern analytical methods the conception of monitoring the changesof APIs during initial stage of their exposure to harmful factors has been developed. Newknowledge must be acquired in terms of identification of each degradation...
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The role of hydrogen bonding on tuning hard-soft segments in bio-based thermoplastic poly(ether-urethane)s
PublikacjaThis work describes the preparation of bio-based thermoplastic poly(ether-urethane)s (TPU) via a prepolymer method and investigates the effect of varying the interphase hydrogen-bonding (H-bonding) on physicochemical, thermal and mechanical properties. This was achieved by varying the glycol type and molar ratio of [NCO]/[OH] groups used during the prepolymer chain extending step. The TPUs’ chemical structure was analyzed by Fourier...
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The Product of Matrix Metalloproteinase Cleavage of Doxorubicin Conjugate for Anticancer Drug Delivery: Calorimetric, Spectroscopic, and Molecular Dynamics Studies on Peptide–Doxorubicin Binding to DNA
PublikacjaMatrix metalloproteinases (MMPs) are extracellular matrix degradation factors, promoting cancer progression. Hence, they could provide an enzyme-assisted delivery of doxorubicin (DOX) in cancer treatment. In the current study, the intercalation process of DOX and tetrapeptide-DOX, the product of the MMPs' cleavage of carrier-linked DOX, into dsDNA was investigated using stationary and time-resolved fluorescence spectroscopy, UV-Vis...
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Expedited antenna optimization with numerical derivatives and gradient change tracking
PublikacjaDesign automation has been playing an increasing role in the development of novel antenna structures for various applications. One of its aspects is electromagnetic (EM)-driven design closure, typically applied upon establishing the antenna topology, and aiming at adjustment of geometry parameters to boost the performance figures as much as possible. Parametric optimization is often realized using local methods given usually reasonable...
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Accelerated multi-objective design of miniaturized microwave components by means of nested kriging surrogates
PublikacjaDesign of microwave components is an inherently multiobjective task. Often, the objectives are at least partially conflicting and the designer has to work out a suitable compromise. In practice, generating the best possible trade‐off designs requires multiobjective optimization, which is a computationally demanding task. If the structure of interest is evaluated through full‐wave electromagnetic (EM) analysis, the employment of...
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Synthesis of highly crystalline photocatalysts based on TiO2 and ZnO for the degradation of organic impurities under visible-light irradiation
PublikacjaA TiO2–ZnO binary oxide system (with molar ratio TiO2:ZnO = 8:2) was synthesized by a hydrothermal method, assisted by calcination at temperatures of 500, 600 and 700 °C, using zinc citrate as the precursor of ZnO. The morphology (SEM, TEM), crystalline structure (XRD, Raman spectroscopy), diffuse reflectance spectra (DRS), chemical surface composition (EDXRF), porous structure parameters (low-temperature N2 sorption) and characteristic...
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Nested Space Mapping Technique for Design and Optimization of Complex Microwave Structures with Enhanced Functionality
PublikacjaIn this work, we discuss a robust simulation-driven methodology for rapid and reliable design of complex microwave/RF circuits with enhanced functionality. Our approach exploits nested space mapping (NSM) technology, which is dedicated to expedite simulation-driven design optimization of computationally demanding microwave structures with complex topologies. The enhanced func-tionality of the developed circuits is achieved by means...
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Optical and electrical properties of ultrathin transparent nanocrystalline boron-doped diamond electrodes
PublikacjaThe optical properties of ultrathin (less than 100 nm) boron-doped nanocrystalline diamond (B-NCD) film were investigated in a wavelength range of 200 ÷ 20000 nm. The B-NCD refractive index showed values close to that of monocrystalline diamond (n = 2.45) in a broad wavelength range (450 ÷ 4000 nm). A transmittance up to 70% and the average film thickness of 70 nm were achieved. A special cone-shaped shim was used in the deposition...
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Inverse surrogate modeling for low-cost geometry scaling of microwave and antenna structures
PublikacjaPurpose–The purpose of this paper is to investigate strategies for expedited dimension scaling ofelectromagnetic (EM)-simulated microwave and antenna structures, exploiting the concept of variable-fidelity inverse surrogate modeling.Design/methodology/approach–A fast inverse surrogate modeling technique is described fordimension scaling of microwave and antenna structures. The model is established using referencedesigns obtained...
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Cost-efficient design optimization of compact patch antennas with improved bandwidth
PublikacjaIn this letter, a surrogate-assisted optimization procedure for fast design of compact patch antennas with enhanced bandwidth is presented. The procedure aims at addressing a fundamental challenge of the design of antenna structures with complex topologies, which is simultaneous adjustment of numerous geometry parameters. The latter is necessary in order to find a truly optimum design and cannot be executed-at the level of high-fidelity...
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Bioactive hybrid metal-organic framework (MOF)-based nanosensors for optical detection of recombinant SARS-CoV-2 spike antigen
PublikacjaFast, efficient, and accurate detection of SARS-CoV-2 spike antigen is pivotal to control the spread and reduce themortality of COVID-19. Nevertheless, the sensitivity of available nanobiosensors to detect recombinant SARS-CoV-2 spike antigen seems insufficient. As a proof-of-concept, MOF-5/CoNi2S4 is developed as a low-cost, safe, and bioactive hybrid nanostructure via the one-pot high-gravity protocol. Then, the porphyrin, H2TMP,...
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Fatty acyl benzamido antibacterials based on inhibition of DnaK-catalyzed protein folding
PublikacjaWe have reported that the hsp70 chaperone DnaK from Escherichia coli might assist protein folding by catalyzing the cis/trans isomerization of secondary amide peptide bonds in unfolded or partially folded proteins. In this study a series of fatty acylated benzamido inhibitors of the cis/trans isomerase activity of DnaK was developed and tested for antibacterial effects in E. coli MC4100 cells. Nα-[Tetradecanoyl-(4-aminomethylbenzoyl)]-l-asparagine...
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Do the young employees perceive themselves as digitally competent and does it matter?
PublikacjaPurpose – The study aims to examine the digital competence of young employees (under 30 years of age) who graduated from the technical university. Self-assessment of selected digital competencies was examined along with the determination of a self-efficacy level in the area of using digital competencies. Design/methodology/approach – Quantitative research was conducted using the computer-assisted web interview method on a sample...
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Automated detection of pronunciation errors in non-native English speech employing deep learning
PublikacjaDespite significant advances in recent years, the existing Computer-Assisted Pronunciation Training (CAPT) methods detect pronunciation errors with a relatively low accuracy (precision of 60% at 40%-80% recall). This Ph.D. work proposes novel deep learning methods for detecting pronunciation errors in non-native (L2) English speech, outperforming the state-of-the-art method in AUC metric (Area under the Curve) by 41%, i.e., from...
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Phytochemical screening and biological evaluation of Greek sage (Salvia fruticosa Mill.) extracts
PublikacjaThis study explores the influence of extraction solvents on the composition and bioactivity of Salvia fruticosa extracts. Ultrasound-assisted extraction with water, ethanol and their mixtures in variable proportions was used to produce four different extracts. An untargeted UPLC/MS‑based metabolomics was performed to discover metabolites profile variation between the extracts. In the analyzed samples, 2704 features had been detected,...
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Property-performance relationship of core-shell structured black TiO2 photocatalyst for environmental remediation
PublikacjaUnderstanding the relationship between the properties and performance of black titanium dioxide with core-shell structure (CSBT) for environmental remediation is crucial for improving its prospects in practical applications. In this study, CSBT was synthesized using a glycerol-assisted sol-gel approach. The effect of different water-to-glycerol ratios (W:G = 1:0, 9:1, 2:1, and 1:1) on the semiconducting and physicochemical properties...
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Reduced-cost electromagnetic-driven optimisation of antenna structures by means of trust-region gradient-search with sparse Jacobian updates
PublikacjaNumerical optimisation plays more and more important role in the antenna design. Because of lack of design-ready theoretical models, electromagnetic (EM)-simulation-driven adjustment of geometry parameters is a necessary step of the design process. At the same time, traditional parameter sweeping cannot handle complex topologies and large number of design variables. On the other hand, high computational cost of the conventional...
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Solubility Characteristics of Acetaminophen and Phenacetin in Binary Mixtures of Aqueous Organic Solvents: Experimental and Deep Machine Learning Screening of Green Dissolution Media
PublikacjaThe solubility of active pharmaceutical ingredients is a mandatory physicochemical characteristic in pharmaceutical practice. However, the number of potential solvents and their mixtures prevents direct measurements of all possible combinations for finding environmentally friendly, operational and cost-effective solubilizers. That is why support from theoretical screening seems to be valuable. Here, a collection of acetaminophen...
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The influence of reactions conditions on aggregation of dyes used in biochemistry
PublikacjaSelf-association of dyes and related substances is a very important phenomenon in many fields of applied chemistry. It is also fundamental model reaction of many kinds of molecular interactions such as the micelle formation of amphiphilic substances and the binding of small organic molecules to macromolecules. In spite of many studies concerning the dimerization equilibria of dyes and related substances, the mechanism seems not...
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Shape memory thin films of Polyurethane: Does graphene content affect the recovery behavior of Polyurethane nanocomposites?
PublikacjaThin nanocomposite films of polyurethane have received remarkable attention due to their shape memory properties. As most of the reports focus on the beneficial aspects of the presence of nanofillers such as graphene nanoplatelets (GNPs) introduced into shape memory polymers, some research results reveal the opposite trend. The polyether/polyester-based polyurethane was synthesized through a condensation polymerization and the...
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Hydration of amino acids: FTIR spectra and molecular dynamics studies
PublikacjaThe hydration of selected amino acids, alanine, glycine, proline, valine, isoleucine and phenylalanine, has been studied in aqueous solutions by means of FTIR spectra of HDO isotopically diluted in H2O. The difference spectra procedure and the chemometric method have been applied to remove the contribution of bulk water and thus to separate the spectra of solute-affected HDO. To support interpretation of obtained spectral results,...
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Synthesis and structural characterization of bio-based bis(cyclic carbonate)s for the preparation of non-isocyanate polyurethanes
PublikacjaBio-based cyclic carbonates are of significant research interest as monomers for non-isocyanate polyurethane (NIPU) synthesis. This research describes the synthesis of a series of five-membered bis(cyclic carbonate)s using bio-based polyether polyols (PO3G) with different molecular weights (250, 650 and 1000 g mol−1) and carbon dioxide as green feedstocks. The utilization of CO2 as a source of carbon in the chemical reaction is...
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Effective assessment of biopolymer-based multifunctional sorbents for the remediation of environmentally hazardous contaminants from aqueous solutions
PublikacjaPersistent contaminants in wastewater effluent pose a significant threat to aquatic life and are one of the most significant environmental concerns of our time. Although there are a variety of traditional methods available in wastewater treatment, including adsorption, coagulation, flocculation, ion exchange, membrane filtration, co-precipitation and solvent extraction, none of these have been found to be significantly cost-effective...
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Ionic liquids for nano- and microstructures preparation. Part 1: Properties and multifunctional role
PublikacjaIonic liquids (ILs) are a broad group of organic salts of varying structure and properties, used in energy conversion and storage, chemical analysis, separation processes, as well as in the preparation of particles in nano- and microscale. In material engineering, ionic liquids are applied to synthesize mainly metal nanoparticles and 3D semiconductor microparticles. They could generally serve as a structuring agent or as a reaction...
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Why do G-quadruplexes dimerize through the 5’-ends? Driving forces for G4 DNA dimerization examined in atomic detail
PublikacjaG-quadruplexes (G4) are secondary structures formed by guanine-rich nucleic acid sequences and shown to exist in living cells where they participate in regulation of gene expression and chromosome maintenance. G-quadruplexes with solvent-exposed guanine tetrads show the tendency to associate together through cofacial stacking, which may be important for packaging of G4-forming sequences and allows for the design of higher-order...
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Multicomponent ionic liquid CMC prediction
PublikacjaWe created a model to predict CMC of ILs based on 704 experimental values published in 43 publications since 2000. Our model was able to predict CMC of variety of ILs in binary or ternary system in a presence of salt or alcohol. The molecular volume of IL (Vm), solvent-accessible surface (Sˆ), solvation enthalpy (DsolvGN), concentration of salt (Cs) or alcohol (Ca) and their molecular volumes (Vms and Vma, respectively) were chosen...
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On the Structure and Volumetric Properties of Solvated Lanthanoid(III) Ions in Amide Solutions
PublikacjaThe coordination chemistry and the volumetric properties of three representative lanthanoid(III) ions lanthanum-(III), gadolinium(III), and lutetium(III) have been studied in three amide solvents with gradually increasing spatial demand upon coordination: N,N-dimethylformamide (dmf)
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Chlorinated solvents in a petrochemical wastewater treatment plant: Anassessment of their removal using self-organising maps
PublikacjaThe self-organising map approach was used to assess the efficiency of chlorinated solvent removal frompetrochemical wastewater in a refinery wastewater treatment plant. Chlorinated solvents and inorganicanions (11 variables) were determined in 72 wastewater samples, collected from three different purificationstreams. The classification of variables identified technical solvents, brine from oil desalting andrunoff sulphates as pollution...
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Indirect Determination of MCPD Fatty Acid Esters in Lipid Fractions of Commercially Available Infant Formulas for the Assessment of Infants’ Health Risk
PublikacjaMCPD esters are intensively investigated food lipid contaminants for over a decade. Concern related to their presence in various types of food products is related to the fact that possible free MCPD release from its esterified form during digestion may lead to elevated daily intake of these toxicants.Special attention should be devoted into powdered infant formulas, which contain significant amounts of refined vegetable oils, likely...
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Studies on the solid-liquid equilibria and intermolecular interactions Urea binary mixtures with Sulfanilamide and Sulfacetamide
PublikacjaThe binary phase diagrams of Sulfanilamide-Urea (SN-U) and Sulfacetamide-Urea (SC-U) were measured using differential scanning calorimetry technique (DSC). Both examined mixtures were found to form simple binary eutectics. The limited miscibility in the solid state observed by DSC, proving inability of co-crystallization in new multi-molecular form, was also confirmed using PXRD and FTIR-ATR measurements of solid dispersions...
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Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics
PublikacjaCRISPR-Cas9 is a cutting-edge genome editing technology, which uses the endonuclease Cas9 to introduce mutations at desired sites of the genome. This revolutionary tool is promising to treat a myriad of human genetic diseases. Nevertheless, the molecular basis of DNA cleavage, which is a fundamental step for genome editing, has not been established. Here, quantum–classical molecular dynamics (MD) and free energy methods are used...
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Fabrication and photoactivity of ionic liquid–TiO2 structures for efficient visible-light-induced photocatalytic decomposition of organic pollutants in aqueous phase
PublikacjaTo investigate the effect of the ionic liquid (IL) chain length on the surface properties and photoactivity of TiO2, a series of TiO2 microspheres have been synthesized via a solvothermal method assisted by 1-methyl-3-octadecylimidazolium chloride ([ODMIM][Cl]) and 1-methyl-3-tetradecylimidazolium chloride ([TDMIM][Cl]). All as-prepared samples were characterized by X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy...
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Formaldehyde detection with chemical gas sensors based on WO3 nanowires decorated with metal nanoparticles under dark conditions and UV light irradiation
PublikacjaWe report results of formaldehyde gas (CH2O) detection under dark conditions and UV light irradiation with pristine tungsten trioxide nanowires (WO3 NWs) and metal nanoparticles decorated WO3 NWs gas sensing layers. The resistive layers were deposited by one step aerosol assisted chemical vapor deposition (AACVD) on commercial alumina substrates with 10-pair interdigitated platinum electrodes. The elaborated gas sensors, based...
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Variable-Fidelity Simulation Models and Sparse Gradient Updates for Cost-Efficient Optimization of Compact Antenna Input Characteristics
PublikacjaDesign of antennas for the Internet of Things (IoT) applications requires taking into account several performance figures, both electrical (e.g., impedance matching) and field (gain, radiation pattern), but also physical constraints, primarily concerning size limitation. Fulfillment of stringent specifications necessitates the development of topologically complex structures described by a large number of geometry parameters that...
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Amperometric sensing of chemical oxygen demand at glassy carbon and silicon electrodes modified with boron-doped diamond
Publikacja.A boron-doped diamond (BDD) sensor is proposed for effective detection of chemical oxygen demand (COD) by means of amperometric technique. Boron-doped diamond thin films, acting as active sensors, were deposited on both silicon wafer and glassy carbon (GC) substrates by microwave plasma assisted chemical vapour deposition. SEM micrographs showed that BDD–Si displays triangle-faceted crystallites ca. 0.5–3 μm in size, while BDD–GC...