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Wyniki wyszukiwania dla: DEEP EUTECTIC SOLVENT
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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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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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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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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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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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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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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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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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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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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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Wpływ rodzaju zanieczyszczenia powierzchni odlewu ze staliwa LH14 na jakość napoin wykonanych elektrodą otuloną
PublikacjaNapawanie jest szeroko stosowaną metodą naprawiania powierzchni. Pozwala między innymi na uzupełnienie miejsc, w których uprzednio wystąpiły wżery korozyjne. Techniki napawania wykorzystywane są również do przywracania pierwotnego kształtu zużytych części. W pracy wykonano badania napoin wykonanych elektrodami otulonymi na czołowych powierzchniach cylindrycznych próbek ze staliwa LH14. Proces wykonywano dwoma rodzajami elektrod:...
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Medical Image Dataset Annotation Service (MIDAS)
PublikacjaMIDAS (Medical Image Dataset Annotation Service) is a custom-tailored tool for creating and managing datasets either for deep learning, as well as machine learning or any form of statistical research. The aim of the project is to provide one-fit-all platform for creating medical image datasets that could easily blend in hospital's workflow. In our work, we focus on the importance of medical data anonimization, discussing the...
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Coherent-wave Monte Carlo method for simulating light propagation in tissue
PublikacjaSimulating propagation and scattering of coherent light in turbid media, such as biological tissues, is a complex problem. Numerical methods for solving Helmholtz or wave equation (e.g. finite-difference or finite-element methods) require large amount of computer memory and long computation time. This makes them impractical for simulating laser beam propagation into deep layers of tissue. Other group of methods, based on radiative...
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Damage of a post-tensioned concrete bridge – Unwanted cracks of the girders
PublikacjaThe cracking of a post-tensioned T-beam superstructure, which was built using the incremental launching method, is analyzed in the paper. The problem is studied in detail, as specific damage was observed in the form of longitudinal cracks, especially in the mid-height zone of the girder at the interface of two assembly sections. The paper is a case study. A detailed inspection is done and non-destructive testing results of the...
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Distortion of speech signals in the listening area: its mechanism and measurements
PublikacjaThe paper deals with a problem of the influence of the number and distribution of loudspeakers in speech reinforcement systems on the quality of publicly addressed voice messages, namely on speech intelligibility in the listening area. Linear superposition of time-shifted broadband waves of a same form and slightly different magnitudes that reach a listener from numerous coherent sources, is accompanied by interference effects...
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Endohedral gallide cluster superconductors and superconductivity in ReGa5
PublikacjaWe present transition metal-embedded (T@Gan) endohedral Ga clusters as a favorable structural motif for superconductivity and develop empirical, molecule-based, electron counting rules that govern the hierarchical architectures that the clusters assume in binary phases. Among the binary T@Gan endohedral cluster systems, Mo8Ga41, Mo6Ga31, Rh2Ga9, and Ir2 Ga9 are all previously known superconductors. The well-known exotic superconductor...
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Preparation and characterization of TiO2 nanostructures for catalytic CO2 photoconversion
PublikacjaThe titanium dioxide target (99.7%) of 1 cm in dia was ablated in vacuum by laser pulses(6 ns) at 266 nm and at repetition rate of 10 Hz. During deposition the laser fluence between 1 and 3.5 J/cm2 and the O2 pressure from the range of 10-2 - 1 Pa were applied. The thin TiO2 films were deposited on glass substrate (1 × 1 cm2) heated up to 500 °C. The chemical composition of the film and samples produced by annealing were investigated...
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Minimizing Distribution and Data Loading Overheads in Parallel Training of DNN Acoustic Models with Frequent Parameter Averaging
PublikacjaIn the paper we investigate the performance of parallel deep neural network training with parameter averaging for acoustic modeling in Kaldi, a popular automatic speech recognition toolkit. We describe experiments based on training a recurrent neural network with 4 layers of 800 LSTM hidden states on a 100-hour corpora of annotated Polish speech data. We propose a MPI-based modification of the training program which minimizes the...
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Bacterial community succession in an Arctic lake–stream system (Brattegg Valley, SW Spitsbergen)
PublikacjaThe factors affecting prokaryotic and virus structure dynamics and bacterial commu-nity composition (BCC) in aquatic habitats along a ca. 1500 m of the Brattegg Valley lake–stream system (SW Spitsbergen) composed of three postglacial lakes created by Brattegg Glacier meltwater were examined. A high number of small-volume prokaryotic cells were found in the recently-formed, deep, upper,...
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Text Mining Algorithms for Extracting Brand Knowledge; The fashion Industry Case
PublikacjaBrand knowledge is determined by customer knowledge. The opportunity to develop brands based on customer knowledge management has never been greater. Social media as a set of leading communication platforms enable peer to peer interplays between customers and brands. A large stream of such interactions is a great source of information which, when thoroughly analyzed, can become a source of innovation and lead to competitive advantage....
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The Processing Procedure for the Interpretation of Microseismic Signal Acquired from a Surface Array During Hydraulic Fracturing in Pomerania Region in Poland
PublikacjaHydraulic fracturing is a procedure of injecting high pressure fluid into the wellbore in order to break shell rock and facilitate gas flow. It is a very costly procedure and, if not conducted properly, it may lead to environmental pollution. To avoid costs associated with pumping fluid outside the perspective (gas rich) zone and improve one’s knowledge about the reservoir rock, microseismic monitoring can be applied. The method...
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Application of soil nailing technique for protection and preservation historical buildings
PublikacjaSoil nailing is one of the recent in situ techniques used for soil improvement and in stabilizing slopes. The process of soil nailing consists of reinforcing the natural ground with relatively small steel bars or metal rods, grouted in the pre-drilled holes. This method has a wide range of applications for stabilizing deep excavations and steep slopes. Soil nailing has recently become a very common method of slope stabilisation...
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Mussel‐inspired biomaterials: From chemistry to clinic
PublikacjaAfter several billions of years, nature still makes decisions on its own to identify, develop, and direct the most effective material for phenomena/challenges faced. Likewise, and inspired by the nature, we learned how to take steps in developing new technologies and materials innovations. Wet and strong adhesion by Mytilidae mussels (among which Mytilus edulis—blue mussel and Mytilus californianus—California mussel are the most...
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Effect of Thermal Treatment and Erosion Aggressiveness on Resistance of S235JR Steel to Cavitation and Slurry
PublikacjaS235JR steel is used in many applications, but its resistance to the erosion processes has been poorly studied. To investigate this resistance, cavitation, and slurry erosion tests were conducted. These tests were carried out at different erosion intensities, i.e., different flow rates in the cavitation tunnel with a system of barricades and different rotational speeds in the slurry pot. The steel was tested as-received and after...
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Smartphones as tools for equitable food quality assessment
PublikacjaBackground: The ubiquity of smartphones equipped with an array of sophisticated sensors, ample processing power, network connectivity and a convenient interface makes them a promising tool for non-invasive, portable food quality assessment. Combined with the recent developments in the areas of IoT, deep learning algorithms and cloud computing, they present an opportunity for advancing wide-spread, equitable and sustainable food...
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Evaluating Accuracy of Respiratory Rate Estimation from Super Resolved Thermal Imagery
PublikacjaNon-contact estimation of Respiratory Rate (RR) has revolutionized the process of establishing the measurement by surpassing some issues related to attaching sensors to a body, e.g. epidermal stripping, skin disruption and pain. In this study, we perform further experiments with image processing-based RR estimation by using various image enhancement algorithms. Specifically, we employ Super Resolution (SR) Deep Learning (DL) network...
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Music information retrieval—The impact of technology, crowdsourcing, big data, and the cloud in art.
PublikacjaThe exponential growth of computer processing power, cloud data storage, and crowdsourcing model of gathering data bring new possibilities to music information retrieval (mir) field. Mir is no longer music content retrieval only; the area also comprises the discovery of expressing feelings and emotions contained in music, incorporating other than hearing modalities for helping this issue, users’ profiling, merging music with social...
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Exploring the Solubility Limits of Edaravone in Neat Solvents and Binary Mixtures: Experimental and Machine Learning Study
PublikacjaThis study explores the edaravone solubility space encompassing both neat and binary dissolution media. Efforts were made to reveal the inherent concentration limits of common pure and mixed solvents. For this purpose, the published solubility data of the title drug were scrupulously inspected and cured, which made the dataset consistent and coherent. However, the lack of some important types of solvents in the collection called...
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Ionic liquids-based microextraction techniques
PublikacjaIn recent years, the development of highly efficient analytical techniques is of great importance, however, the direct analysis of complex sample matrix is still impossible in many cases. Therefore, the step of sample preparation is commonly involved in an analytical procedure. Over the years, it has been realized that the major source of inaccuracy and imprecision on general analysis results from the operations associated to sample...
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Influence of temperature and anion type on thermophysical properties of aqueous solutions of morpholine based amino acid ionic liquids
PublikacjaDensities and sound velocities of aqueous solutions of N-butyl-N-methylmorpholine based amino acid ionic liquids (AAILs), including N-acetyl-L-alanine, N-acetyl-Lvalinate, N-acetyl-L-leucinate, and N-acetyl-L-izoleucinate anions were measured at a temperature from 293.15 to 313.15 K at 5 K intervals and atmospheric pressure. These data were used to calculate the apparent molar volumes and the apparent molar compressibilities in...
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BODIPY‐Perylene Charge Transfer Compounds; Sensitizers for Triplet‐Triplet Annihilation Up‐conversion
PublikacjaBODIPY heterochromophores, asymmetrically substituted with perylene and/or iodine at the 2 and 6 positions were prepared and investigated as sensitizers for triplet-triplet annihilation up conversion (TTA-UC). Single-crystal X-ray crystallographic analyses show that the torsion angle between BODIPY and perylene units lie between 73.54 and 74.51, though they are not orthogonal. Both compounds show intense, charge transfer absorption...
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Challenges in determination of pesticides from various chemical groups in fruits and vegetables applying QuEChERS method
PublikacjaPesticides are a large group of compounds with different physical and chemical properties, which place some of them among the most toxic, environmentally stable, and mobile substances. Nevertheless, their number, use, and application are continuously expanding. A consequence of their use is the possible presence of residues in treated food products. To protect consumers from exposure to unacceptable levels of pesticides Maximum...
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Membrane-SPME the best 'green' sample preparation technique for the gas chromatographic determination polar organic pollutants in polar media
PublikacjaOne of the most popular technique for sample preparation, which fulfill requirements of green analytical chemistry, is solid phase microextraction (SPME). Because of the undoubted advantages of SPME technique, solvent-free character of the extraction process and the enormous potential in analytical practice, a series of studies has been undertaken to develop new technical solutions, where improving the sensitivity and the extraction...
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A rapid and sensitive method for the quantitative analysis of ibuprofen and its metabolites in equine urine samples by gas chromatography-tandem mass spectrometry
PublikacjaIbuprofen is widely used in human and veterinary medicine for the treatment of chronic pain as well as rheumatic and musculoskeletal disorders. However, t he anal- gesic and anti-inflammatory properties of Ibuprofen have contributed to frequent drug abuse in equestr ian s ports. A sensitive and rapid gas chromatography with tandem mass spectrometry based method with a simple liquid-liquid extraction and deriva- tization requiring...
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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublikacjaWe present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression...
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Green chromatography
PublikacjaAnalysis of organic compounds in samples characterized by different composition of the matrix is very important in many areas. A vast majority of organic compound determinations are performed using gas or liquid chromatographic methods. It is thus very important that these methods have negligible environmental impact. Chromatographic techniques have the potential to be greener at all steps of the analysis, from sample collection...
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Up-to-date strategies and future trends towards the extraction and purification of Capsaicin: A comprehensive review
PublikacjaBackground According to the current need of manufacturing healthier products, food companies are seeking specific biomolecules that may offer additional added value (i.e., biological activities) to the new food formulations. Capsaicin, as the pungent ingredient of chili peppers, has become so far one of the target biomolecules explored since the 1950s. There is evidence demonstrating that capsaicin exhibits important biological...
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Impact of Tetrazolium Ionic Liquid Thermal Decomposition in Solvothermal Reaction on the Remarkable Photocatalytic Properties of TiO2 Particles
PublikacjaIonic liquids (ILs) could serve as a structuring agent, a solvent, or a source of dopant during solvothermal synthesis of semiconductors particles. To understand the role of IL during formation of TiO2 particles, it is necessary to study the stability of this IL in solvothermal synthesis conditions, as well as studying the surface properties of formed TiO2 particles. In view of this, the effect of the 2,3,5-triphenyltetrazolium...
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Electrochemistry from first-principles in the grand canonical ensemble
PublikacjaProgress in electrochemical technologies, such as automotive batteries, supercapacitors, and fuel cells, depends greatly on developing improved charged interfaces between electrodes and electrolytes. The rational development of such interfaces can benefit from the atomistic understanding of the materials involved by first-principles quantum mechanical simulations with Density Functional Theory (DFT). However, such simulations are...
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Molecular mechanism of proton-coupled ligand translocation by the bacterial efflux pump EmrE
PublikacjaThe current surge in bacterial multi-drug resistance (MDR) is one of the largest challenges to public health, threatening to render ineffective many therapies we rely on for treatment of serious infections. Understanding different factors that contribute to MDR is hence crucial from the global “one health” perspective. In this contribution, we focus on the prototypical broad-selectivity proton-coupled antiporter EmrE, one of the...
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Klasyfikacja sygnału EKG przy użyciu konwolucyjnych sieci neuronowych
PublikacjaAutomation and improvement of diagnostic process is a vital element of medicine development and patient’s condition self-control. For a long time different ECG signal classification methods exist and are successfully applied, nevertheless their accuracy is not always satisfying enough. The lack of identification of an existing abnormality, which is very similar to a normal heartbeat is the biggest issue - for example premature...
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Klasyfikacja sygnału EKG przy użyciu konwolucyjnych sieci neuronowych
PublikacjaAutomation and improvement of diagnostic process is a vital element of medicine development and patient’s condition self-control. For a long time different ECG signal classification methods exist and are successfully applied, nevertheless their accuracy is not always satisfying enough. The lack of identification of an existing abnormality, which is very similar to a normal heartbeat is the biggest issue - for example premature...
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Explainable machine learning for diffraction patterns
PublikacjaSerial crystallography experiments at X-ray free-electron laser facilities produce massive amounts of data but only a fraction of these data are useful for downstream analysis. Thus, it is essential to differentiate between acceptable and unacceptable data, generally known as ‘hit’ and ‘miss’, respectively. Image classification methods from artificial intelligence, or more specifically convolutional neural networks (CNNs), classify...
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CNN-CLFFA: Support Mobile Edge Computing in Transportation Cyber Physical System
PublikacjaIn the present scenario, the transportation Cyber Physical System (CPS) improves the reliability and efficiency of the transportation systems by enhancing the interactions between the physical and cyber systems. With the provision of better storage ability and enhanced computing, cloud computing extends transportation CPS in Mobile Edge Computing (MEC). By inspecting the existing literatures, the cloud computing cannot fulfill...
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Predicting emotion from color present in images and video excerpts by machine learning
PublikacjaThis work aims at predicting emotion based on the colors present in images and video excerpts using a machine-learning approach. The purpose of this paper is threefold: (a) to develop a machine-learning algorithm that classifies emotions based on the color present in an image, (b) to select the best-performing algorithm from the first phase and apply it to film excerpt emotion analysis based on colors, (c) to design an online survey...
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Preliminary Testing of the Influence of Modified Polycaprolactones on Anabaena Variabilis Growth in Seawater
PublikacjaSeveral new biodegradable polymer materials have recently come onto the global market. Mostly the results on degradation kinetic studies are presented. This paper suggests using one of the tests to estimate the impact of polymer packaging material on sea life. The microorganism chosen was Anabaena variabilis (identified in many waters, including those of the Baltic Sea, especially in the Gulf of Gdansk and Puck Bay; this cyanobacterium...
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The Impact of Long-Time Chemical Bonds in Mineral-Cement-Emulsion Mixtures on Stiffness Modulus
PublikacjaDeep cold in-place recycling is the most popular method of reuse of existing old and deteriorated asphalt layers of road pavements. In Poland, in most cases, the Mineral-Cement-Emulsion mixture technology is used, but there are also applications combining foamed bitumen and cement. Mineral-Cement-Emulsion mixtures contain two different binding agents – cement as well as asphalt from the asphalt emulsion. Asphalt creates asphalt...
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Optimal selection of input features and an acompanying neural network structure for the classification purposes - skin lesions case study
PublikacjaMalignant melanomas are the most deadly type of skin cancers however detected early enough give a high chances for successful treatment. The last years saw the dynamic growth of interest of automatic computer-aided skin cancer diagnosis. Every month brings new research results on new approaches to this problem, new methods of preprocessing, new classifiers, new ideas to follow etc. In particular, the rapid development of dermatoscopy,...
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Modelling charge transfer processes in C2+ -tetrahydrofuran collision for ion-induced radiation damage in DNA building blocks
PublikacjaInvestigations of collision-induced processes involving carbon ions and molecules of biological interest in particular DNA building blocks, are crucial to model the effect of radiation on cells in order to improve medical treatments for cancer therapy. Using carbon ions appears to be one of the most efficient ways to increase biological effectiveness to damage cancerous cells by irradiating deep-seated tumors. Therefore, interest...
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An LC-MS/MS Method for a Comprehensive Determination of Metabolites of BTEX Anaerobic Degradation in Bacterial Cultures and Groundwater
PublikacjaBTEX (benzene, toluene, ethylbenzene, and the different xylene isomers), known for carcinogenic and neurotoxic effects, are common environmental contaminants. The first step for the development of the bioremediation technologies is the detection of intense microbial degradation in contaminated waters in the quest for the most active bacterial strains. This requires the multispecies analysis for BTEX metabolites which are considered...