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Thermodynamic Studies of Interactions between Sertraline Hydrochloride and Randomly Methylated β-Cyclodextrin Molecules Supported by Circular Dichroism Spectroscopy and Molecular Docking Results
PublicationThe interaction between sertraline hydrochloride (SRT) and randomly methylated β-cyclodextrin (RM β CD) molecules have been investigated at 298.15 K under atmospheric pressure. The method used—Isothermal Titration Calorimetry (ITC) enabled to determine values of the thermodynamic functions like the enthalpy (DH), the entropy (DS) and the Gibbs free energy (DG) of binding for the examined system. Moreover, the stoichiometry coefficient...
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Quest for the Molecular Basis of Improved Selective Toxicity of All-Trans Isomers of Aromatic Heptaene Macrolide Antifungal Antibiotics
PublicationThree aromatic heptaene macrolide antifungal antibiotics, Candicidin D, Partricin A (Gedamycin) and Partricin B (Vacidin) were subjected to controlled cis-trans to all trans photochemical isomerization. The obtained all-trans isomers demonstrated substantially improved in vitro selective toxicity in the Candida albicans cells: human erythrocytes model. This effect was mainly due to the diminished hemotoxicity. The molecular modeling...
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The Examination of the Upper Layers of the Seabed by the Means of the Acoustic Methods
PublicationPropagation of acoustic waves in the sea, in particular in shallow sea, depends on several factors. The basic of them are source power and frequency of acoustic waves, spatial distribution inhomogeneous medium in which acoustic wave propagates, and distributions of speed of sound and density of seawater. The coastal conditions, which limit water medium from above (free surface of the sea) and from bottom (the seabed), are no less...
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Influence of Diosmin Treatment on the Level of Oxidative Stress Markers in Patients with Chronic Venous Insufficiency
PublicationOxidative stress plays an important role in the pathophysiology of many human disorders, while antioxidants prevent the development of various adverse symptoms. Diosmin is a natural flavonoid applied in vascular system disorders, especially in chronic venous insufficiency (CVI), and it plays a significant part in the alleviation of CVI symptoms. Due to antioxidant activity, it also has the ability to scavenge the oxygen free radicals...
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Synthesis of Phosphonated Carbon Nanotubes: New Insight into Carbon Nanotubes Functionalization
PublicationCarbon nanotubes were successfully functionalized for the first time in a free radical phosphonylation reaction. Three synthetic protocols were proposed. Carbon nanotubes and diethylphosphite reacted in the presence of known radical initiator, such as azobisisobutyronitrile, single electron oxidant—Mn(OAc)3, or under UV radiation. The functionalized material was fully characterized by means of spectroscopic methods, together with...
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Decoupled Kalman filter based identification of time-varying FIR systems
PublicationWhen system parameters vary at a fast rate, identification schemes based on model-free local estimation approaches do not yield satisfactory results. In cases like this, more sophisticated parameter tracking procedures must be used, based on explicit models of parameter variation (often referred to as hypermodels), either deterministic or stochastic. Kalman filter trackers, which belong to the second category, are seldom used in...
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Grafting and reactive extrusion technologies for compatibilization of ground tyre rubber composites: Compounding, properties, and applications
PublicationChemical modification of ground tyre rubber (GTR) to compatibilize it with the matrix is a well-known approach. Based on our recent review of the surface etching methods used in GTR modification, the purpose of the current work is to take a deeper look into more advanced methods such as grafting and reactive extrusion. While grafting is more efficient in achieving compatibility, however, it usually involves multi-step synthesis...
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Dynamics of Chains as a Tool to Study Thermomechanical Properties of Proteins.
PublicationPolymer dynamics can be formulated on different levels of detail. One approach eliminates microscopic degrees of freedom and a polymer molecule is represented by a simplified structure—a chain. In the simplest case monomers of ideal chain have fixed length, and their orientation is independent of the orientations and positions of neighbouring monomers. This is reason that two monomers can co-exist at the same place. Ideal chain...
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Removal efficiency of phenol by ozonation process with calcium peroxide from aqueous solutions
PublicationPhenol has been introduced as a priority pollutant by the US Environmental Protection Agency. Advanced oxidation processes (AOPs) are one of the most efcient methods for removal of non-degradable organic pollutants in aqueous solutions. The removal efciencies of phenol and COD under optimal conditions pH=3, phenol concentration=5 mg/L, CaO2 concentration=0.025 mg/L, temperature 25 °C, 1 g/min ozonation rate and contact time=90...
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The mechanical properties and bactericidal degradation effectiveness of tannic acid-based thin films for wound care
PublicationThe surface area is the most important aspect when considering the interactions between a material and the surrounding environment. Chitosan (CTS) and tannic acid (TA) were previously successfully tested by us to obtain thin films to serve as wound dressings or food packaging materials. However, surface properties as well as the antimicrobial activity of the material were not considered. They are important if the material is likely...
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Optimization of Wireless Networks for Resilience to Adverse Weather Conditions
PublicationIn this chapter, we consider how adverse weather conditions such as rain or fog affect the performance of wireless networks, and how to optimize these networks so as to make them robust to these conditions. We first show how to analyze the weather conditions in order to make them useful for network optimization modelling. Using an example realistic network, we show how to optimize two types of wireless networks: free-space optical...
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Determination of volatile organic compounds using solventless sample preparation techniques and gas chromatography
PublicationIn this paper the latest advances in the determination of volatile organic compounds using solvent-free extraction techniques in the sample preparation step are presented. A paper is focus mainly on one of the most popular sample preparation technique: solid-phase microextraction technique (SPME) combined with different detection systems and its applications to sampling of VOCs from the samples with different matrices. This paper...
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Determination of isoprostanes in exhaled breath condensate samples by liquid chromatography coupled with tandem mass spectrometry
PublicationOxidative stress (OS) is a state of imbalance between continuously generating reactive oxygen species (ROS) during normal cell metabolism and mechanism of detoxifying oxygen radicals through a network of antioxidative enzymes. Isoprostanes are prostaglandin -like substances that are produced in vivo primarily by free radical-induced peroxidation of arachidonic acid. The measurement of isoprostanes in biological fluids and/or tissue...
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Chemical composition of lipids isolated from selected organs and tissues of the raccoon dog (Nyctereutes procyonoides)
PublicationOur paper presents a qualitative analysis of particular lipid classes (phospholipids, triacylglycerols, cholesterol, free fatty acids) isolated from the tissues of raccoon dogs harvested in northeastern Poland. In all examined tissues (except for the liver) the dominant group of lipids were triacylglycerols. The amounts of lipids representing the other classes depended on the kind of tissue from which the fat was isolated. The...
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The Boltzmann sequence-structure channel
PublicationWe rigorously study a channel that maps binary sequences to self-avoiding walks in the two-dimensional grid, inspired by a model of protein statistics. This channel, which we also call the Boltzmann sequence-structure channel, is characterized by a Boltzmann/Gibbs distribution with a free parameter corresponding to temperature. In our previous work, we verified experimentally that the channel capacity has a phase transition for...
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Recycling of raw materials, silicon wafers and complete solar cells from photovoltaic modules
PublicationPhotovoltaic modules (PVs) are an attractive way of generating electricity in reliable and maintenance-free systems with the use of solar energy. The average lifetime of photovoltaic modules is 25 to 30 years. To offset the negative impact of photovoltaic modules on the environment, it is necessary to introduce a long-term strategy that includes a complete lifecycle of all system components from the production phase through installation...
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Theoretical Model of Acoustic Wave Propagation in Shallow Water
PublicationThe work is devoted to the propagation of low frequency waves in a shallow sea. As a source of acoustic waves, underwater disturbances generated by ships were adopted. A specific feature of the propagation of acoustic waves in shallow water is the proximity of boundaries of the limiting media characterised by different impedance properties, which affects the acoustic field coming from a source situated in the water layer “ deformed”...
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Impact of Low Switching-to-Fundamental Frequency Ratio on Predictive Current Control of PMSM: A simulation study
PublicationPredictive current control algorithms for permanent magnet synchronous (PMSM) drives rely on an assumption that within short intervals motor currents can be approximated with linear functions. This approximation may result either from discretizing the motor model or from simplifications applied to the continuous-time model. As the linear current approximation has been recognized as inaccurate in case when the drive operates with...
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Evaluation of RTKLIB's Positioning Accuracy Using low-cost GNSS Receiver and ASG-EUPOS
PublicationThe paper focuses on a comparison of different positioning methods provided by free and open source software (FOSS) package called RTKLIB. The RTKLIB supports real‐time and post‐processed positioning. The most important modes of operation tested by the authors are Kinematic, Static, Fixed and Precise Point Positioning (PPP). The data for evaluation were obtained from low‐cost Global Navigation Satellite System (GNSS) receiver....
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Synthesis and polymerisation techniques of molecularly imprinted polymers
PublicationMolecularly Imprinted Polymers (MIPs) are materials that has been processed using the molecular imprinting technique which permit to obtain well-defined three-dimensional cavities, with affinity to a template molecule, in the polymer matrix. Technology involves three strategies, i.e., covalent, non-covalent and semi-covalent approach, but the most popular is non-covalent approach. The most important components for the synthesis...
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Determination of selected parameters/ analytes in surface water samples collected in the surroundings of the capital of Spitsbergen (Longyearbyen)
PublicationPolar regions are extremely sensitive to pollution such as harmful gases, particles or toxic substances which affect the Arctic climate and ecosystems. Spitsbergen, as well as all Arctic region, because of its geographically distant location and lack of industry sector, should be free of chemical pollution. Despite this, many pollutants could be found in the Polar environment, for example in freshwaters. Their occurrence is related...
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Comparative study of a combined heat and power plant retrofitted by CO2 capture during the combustion of syngas from sewage sludge gasification versus zero-emission combustion of hydrogen produced using renewables
PublicationWith ecological requirements aimed at limiting the production of CO2, it is necessary to produce all, or most of the energy from RES. During the transformation process, ecological and highly efficient combustion power plants will be needed. The classic cycle of combined heat and power (CCGT) with green improvements will continue to be one of the most suitable technologies for this task. This article presents the modernization of...
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Systemic modulation of stress and immune parameters in patients treated for prostate adenocarcinoma by intensity-modulated radiation therapy or stereotactic ablative body radiotherapy
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An updated method identifying collision-prone locations for ships. A case study for oil tankers navigating in the Gulf of Finland
PublicationTo ensure the risk level associated with continuously increasing maritime traffic through particularly sensitive sea areas remains at acceptable level, a periodic risk assessment needs to be carried out by the relevant authorities. As a part of such assessment, allowing for proactive countermeasures to mitigate risk, the frequency of accidents is estimated along with the assessment of geographical locations where the accidents...
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CONTROL OF THE WAVES IN A TOWING TANK WITH THE USE OF A BLACK-BOX MODEL
PublicationThe paper describes an adaptive control system of the waves, implemented in the Ship Design and Research Centre, CTO S.A. The purpose of generating the waves in the towing tank is the modelling of the environmental conditions during hydrodynamic model tests. The tests are performed on scale models of towed or free running ships, anchored structures like oil rigs or bottommounted structures, e.g. wind turbines. In the towing tank...
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Comparative evaluation of different methods for determining phytochemicals and antioxidant activity in products containing betalains - Verification of beetroot samples
PublicationThis study presents methods that can be used to assess the health quality of products containing betalains. The paper compares and verifies data on the phytochemical composition of three different pigmented beetroot cultivars using spectrophotometric, HPLC-DAD, HPTLC and LC-Q-Orbitrap-HRMS techniques. Additionally, we compared the total antioxidant activity in both the cell-free and cellular systems. Betalain contribution to antioxidant...
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Robust-adaptive dynamic programming-based time-delay control of autonomous ships under stochastic disturbances using an actor-critic learning algorithm
PublicationThis paper proposes a hybrid robust-adaptive learning-based control scheme based on Approximate Dynamic Programming (ADP) for the tracking control of autonomous ship maneuvering. We adopt a Time-Delay Control (TDC) approach, which is known as a simple, practical, model free and roughly robust strategy, combined with an Actor-Critic Approximate Dynamic Programming (ACADP) algorithm as an adaptive part in the proposed hybrid control...
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On dynamic modeling of piezomagnetic/flexomagnetic microstructures based on Lord–Shulman thermoelastic model
PublicationWe study a time-dependent thermoelastic coupling within free vibrations of piezomagnetic (PM) microbeams considering the flexomagnetic (FM) phenomenon. The flexomagneticity relates to a magnetic field with a gradient of strains. Here, we use the generalized thermoelasticity theory of Lord–Shulman to analyze the interaction between elastic deformation and thermal conductivity. The uniform magnetic field is permeated in line with...
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Elucidating the impact of enzymatic modifications on the structure, properties, and applications of cellulose, chitosan, starch and their derivatives: a review
PublicationPolysaccharides, as one of the most prominent natural biopolymers, display numerous biological activities and industrial applications. Nevertheless, some polysaccharides lack biological properties or display weak biological activities. Besides, practical usages of polysaccharides still remain challenging because of their poor solubility and inappropriate hydrophilic/hydrophobic balance. Hence, enzymatic or chemical modifications...
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The roadway bridge over Vistula River in Plock - design and construction.
PublicationThe paper presents the design and construction works of the Roadway Bridge over Vistula River in Plock (Poland), designed by first two paper authors as being the winners of international competition for design oraganized by Polish association of the bridge engineers. Total length of the bridge is 1,200 m; 615 m is the length of main bridge part over the Vistula riverbed, and 585 m is the length of access bridge part over river...
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Specific Binding of Cholesterol to the Amyloid Precursor Protein: Structure of the Complex and Driving Forces Characterized in Molecular Detail
PublicationC99 is the C-terminal membrane-bound fragment of the amyloid precursor protein that is cleaved by γ-secretase to release Aβ peptides, the hallmark of Alzheimer’s disease (AD). Specific interactions of C99 with cholesterol have been proposed to underlie the recognized role of cholesterol in promoting amyloidogenesis. By using molecular dynamics simulations, we studied cholesterol binding to C99 in a lipid bilayer. We determined...
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Study of Cloud Water Samples Collected over Northern Poland
PublicationThe paper gives the results of the first studies on the chemistry of cloud water collected during 3 mo (Aug.–Oct. 2010) in the free atmosphere over the area to the south of the Tri-City (Gdansk-Sopot-Gdynia) conurbation on the Gulf of Gdansk, Poland. Taken from cumulus, stratus, and stratocumulus clouds by means of an aircraft-mounted collector, the water samples were analyzed for the following contaminants: anions (chlorides,...
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Automated Detection of Sleep Apnea and Hypopnea Events Based on Robust Airflow Envelope Tracking in the Presence of Breathing Artifacts. - [IEEE JOURNAL OF BIOMEDICAL AND HEALTH INFORMATICS]
PublicationThe paper presents a new approach to detection of apnea/hypopnea events, in the presence of artifacts and breathing irregularities, from a single channel airflow record. The proposed algorithm, based on a robust envelope detector , identifies segments of signal affected by a high amplitude mo d- ulation corresponding to apnea/hypopnea events. It is show n that a robust airflow envelope - free of breathing artifacts - improves effectiveness...
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Application of Shape Memory Alloys in Pipeline Couplings for Shipbuilding
PublicationThe aim of the study is to analyse shape memory alloy (SMA) pipeline joints in limited space applications for all kinds of ships. Generally, the space available in various areas on ships is strictly limited and service works usually meet many obstacles. If we consider a pipeline, the flange joints always require a larger free space around the pipe than the pipe alone. A simultaneous problem can occur with the propeller shaft line...
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Resonant and nonresonant excitation of waves in a planar magnetosonic flow
PublicationForced propagation of perturbations in a magnetosonic wave are considered. The driving force may be caused by stimulated Mandelstam–Brillouin scattering of optic waves or by intense magnetosonic exciter. Some heating-cooling function which takes into account radiative cooling and unspecified heating is taken into consideration, as well as nonlinearity of a medium. Both these factors make the excitation particular. The analytical...
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Performance Comparison of Automatically Generated Topologically Agnostic Patch Antennas
PublicationReal-world antenna design typically relies on empirical methods, where the development starts with structure synthesis followed by its iterative adjustments to achieve the desired performance. Although the outlined approach proved to be successful, it is also dependent on engineering experience. Alternatively, development can be performed automatically based on the specifications. In this work, an unsupervised design of topologically...
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The CON−H…+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway
PublicationThe paper is focusing on the amide linkage exceptional properties and usage of chemistry (conformational rearrangement, geometrical stereoisomers, spectroscopic blue shift phenomenon, protonation and deprotonation reactions, synthetic scope, and mechanistic implications). Hydrogen-bond-stabilized acylation reactions of a diamine with thioamides or nitriles reveal how substituents influence both the outcome of stereoselectivity...
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Effect of adhesive compliance in the assessment of soft adhesives with the wedge test
PublicationWedge tests are usually analysed assuming that the free, unbonded members may be treated as encastré cantilever beams. However, if the adhesive layer is sufficiently flexible (e.g., due to low elastic modulus), then significant strain in the bonded region may occur and lead to modification of the behaviour outside this region. Using in conjunction a sensitive strain gauge method on asymmetric wedge tests and a mathematical analysis...
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Isoprostanes-Biomarkers of Lipid Peroxidation: Their Utility in Evaluating Oxidative Stress and Analysis
PublicationIsoprostanes (IsoPs) are key biomarkers for investigating the role of free radical generation in the pathogenesis of human disorders. To solve IsoPs-related problems with regard to isoprostanes, analytical tools are required. This paper reviews the problems and trends in this field focusing on the methodology for assaying biomarkers in exhaled breath condensate (EBC) samples. A large amount of work has been done in the qualitative...
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Investigation of stability and limit load of a truss overhead opened bridge
PublicationThe paper presents selected methods of determining stability and limit load of a truss top chord in opened bridges. These methods include linear buckling and non-linear static analysis based on the finite element method and algorithms based on design code procedures. The described methods were tested on an example of a steel footbridge situated in Straszyn. The results of stability analysis are compared. The results of geometrical...
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Analysis of hydrodynamic pressure fields of motorboats and pontoons in shallow water
PublicationThe article presents the results of calculations of the pressure fields generated by a motorboat at the bottom of a shallow sea. Calculations were made using the boundary elements method (BEM), arranged on the surface of the boat and the bottom of the sea. This method is described in [3], and applied on a free surface linearized boundary condition. Results for four different lengths of motorboats, from 2.85 m to 9.5 m, sea depth...
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Guided ultrasonic waves for detection of debonding in bars partially embedded in grout
PublicationThis paper deals with theoretical, numerical and experimental investigations of guided wave propagation in multilayered cylindrical bars with pre-existing debonding. The research focuses on a complex description of the nature of the wave phenomena occurring in a debonded specimen with a special emphasis on the influence of the location of damage on the wave conversion and diffraction. Experimental non-destructive and destructive...
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Time-of-flight electron scattering from molecular hydrogen: Benchmark cross sections for excitation of the X1Σ+g→b3Σ+u transition
PublicationThe electron impact X1Σ+g to b3Σ+u transition in molecular hydrogen is one of the most important dissociation pathways to forming atomic hydrogen atoms, and is of great importance in modeling astrophysical and industrial plasmas where molecular hydrogen is a substantial constituent. Recently it has been found that the convergent close-coupling (CCC) cross sections of Zammit et al. [Phys. Rev. A 95, 022708 (2017)] are up to a factor...
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Effect of osmolytes on the thermal stability of proteins: replica exchange simulations of Trp-cage in urea and betaine solutions
PublicationAlthough osmolytes are known to modulate the folding equilibrium, the molecular mechanism of their effect on thermal denaturation of proteins is still poorly understood. Here, we simulated the thermal denaturation of a small model protein (Trp-cage) in the presence of denaturing (urea) and stabilizing (betaine) osmolytes, using the all-atom replica exchange molecular dynamics simulations. We found that urea destabilizes Trp-cage...
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Evaluation of Three Peptide Immobilization Techniques on a QCM Surface Related to Acetaldehyde Responses in the Gas Phase
PublicationThe quartz-crystal microbalance is a sensitive and universal tool for measuring concentrations of various gases in the air. Biochemical functionalization of the QCM electrode allows a label-free detection of specific molecular interactions with high sensitivity and specificity. In addition, it enables a real-time determination of its kinetic rates and affinity constants. This makes QCM a versatile bioanalytical screening tool for...
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Threshold Attendance under Soft-Crash Model: TAG Protocol and Markovian Analysis
PublicationA realistic and systematic network evaluation should subsume an availability model and a failure model. We combine a "hard availability" model we call threshold attendance, whereby a certain minimum number of network elements must be present at any time, with a soft-crash failure model, whereby after experiencing a failure, a network element is still able to function correctly for a while in an emergency mode at a risk of a major...
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FURTHER REMARKS ON THE SURFACE VIS IMPRESSA CAUSED BY A FLUID-SOLID CONTACT
PublicationIt is well-known that, nano-mechanics should take into account not only physical phenomena occuring within the bulk but, first of all, the physical phenomena appropriate for a surface of two materials contact. The huge volume density of internal surfaces as well countours lines located within the nanomaterial results in our interest in, apart from classical form of mass, momentum and entropy transport, those modes of transportation...
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Interactions of fish gelatin and chitosan in uncrosslinked and crosslinked with EDC films: FT-IR study
PublicationFilms based on fish gelatin, chitosan and blend of fish gelatin and chitosan before and after cross-linking with EDC have been characterized by FT-IR spectroscopy. The FT-IR spectrum of fish gelatin film showed the characteristic amide I, amide II and amide III bands, and the FT-IR spectrum of chitosan film confirmed that the polymer was only a partially deacetylated product, and included CH3-C=O and NH2 groups, the latter both...
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INFORMATION ABOUT DYNAMICS OF THE SEA SURFACE AS A MEANS TO IMPROVE SAFETY OF THE UNMANNED VESSEL AT SEA
PublicationOne of the fundamental states of the sea surface is its heave. Despite of years of the intense scientific inquiry, no clear understanding of the influence of this aspect on the dynamics of the sea environment has emerged. The separation of two nearby fluid elements which one may observed for example as a free floating of small objects on the sea surface (rescuers on the rough sea or small research vessels) is caused by the interaction...
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Cure kinetics of epoxy/MWCNTs nanocomposites: Isothermal calorimetric and rheological analyses
PublicationA combinatorial route has been applied in cure kinetics study of epoxy nanocomposites containing multi-walled carbon nanotubes (MWCNTs) based on differential scanning calorimetry and rheokinetic analyses under isothermal conditions. Pristine and amine-modified MWCNTs bearing primary and secondary amines were used at very low concentrations (0.1 and 0.3 wt.% based on epoxy weight). Model-free and model-fitting methods were applied...