Search results for: CORRELATION
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The Role of Electrostatics in Enzymes: Do Biomolecular Force Fields Reflect Protein Electric Fields?
PublicationPreorganization 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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NUMERICAL SIMULATIONS OF HONING PROCESS OF THIN WALL CYLINDER LINERS, WITH CONSTANT AND WITH VARIABLE THICKNESS OF WALL OF HONED PARTS
PublicationNumerical simulations of honing process of thin-wall cylinder liners, with constant and with variable thickness of the wall of honed workpieces can improve and can help to conduct the experimental research of honing process and can improve the honing process. A very valuable research assumption, before performing the numerical analysis of computer simulation of honing process, is the measurement of the real geometry of the honing...
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Effects of Bromine Doping on the Structural Properties and Band Gap of CH3NH3Pb(I1–xBrx)3 Perovskite
PublicationAn experimental and theoretical study is reported to investigate the influence of bromine doping on CH3NH3Pb(I1−xBrx)3 perovskite for Br compositions ranging from x = 0 to x = 0.1, in which the material remains in the tetragonal phase. The experimental band gap is deduced from UV−vis absorption spectroscopy and displays a linear behavior as a function of bromine concentration. Density functional theory calculations are performed...
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Multi-state multi-reference Møller-Plesset second-order perturbation theory for molecular calculations
PublicationThis work presents multi‐state multi‐reference Møller–Plesset second‐order perturbation theory as a variant of multi‐reference perturbation theory to treat electron correlation in molecules. An effective Hamiltonian is constructed from the first‐order wave operator to treat several strongly interacting electronic states simultaneously. The wave operator is obtained by solving the generalized Bloch equation within the first‐order...
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Human subarachnoid space width oscillations in the resting state
PublicationAbnormal cerebrospinal fluid (CSF) pulsatility has been implicated in patients suffering from various diseases, including multiple sclerosis and hypertension. CSF pulsatility results in subarachnoid space (SAS) width changes, which can be measured with near-infrared transillumination backscattering sounding (NIR-T/BSS). The aim of this study was to combine NIR-T/BSS and wavelet analysis methods to characterise the dynamics of the...
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Fracture Areas Quantitative Investigating of Bending-Torsion Fatigued Low-Alloy High-Strength Steel
PublicationIn this study, the impact of pseudo-random non-proportional bending-torsion fatigue loadings proportion on the fatigue life and the fracture surface topography was analyzed. Investigation was carried out for 24 specimens made of S355J2 steel with 11 different ratios of maximum stresses λ. For these cases, after the fatigue tests, the surface topography measurements were carried out using an optical profilometer, using the focus...
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A Method for Underwater Wireless Data Transmission in a Hydroacoustic Channel under NLOS Conditions
PublicationWireless data transmission in the hydroacoustic channel under non-line-of-sight (NLOS) propagation conditions, for example, during a wreck penetration, is difficult to implement reliably. This is mostly due to the multipath propagation, which causes a reduction in the quality of data reception. Therefore, in this work an attempt has been made to develop a reliable method of wireless underwater communication test it under the NLOS...
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High-resolution fire danger forecast for Poland based on the Weather Research and Forecasting Model
PublicationDue to climate change and associated longer and more frequent droughts, the risk of forest fires increases. To address this, the Institute of Meteorology and Water Management implemented a system for forecasting fire weather in Poland. The Fire Weather Index (FWI) system, developed in Canada, has been adapted to work with meteorological fields derived from the high-resolution (2.5 km) Weather Research and Forecasting (WRF) model....
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Compact global association based adaptive routing framework for personnel behavior understanding
PublicationPersonnel behavior understanding under complex scenarios is a challenging task for computer vision. This paper proposes a novel Compact model, which we refer to as CGARPN that incorporates with Global Association relevance and Adaptive Routing Pose estimation Network. Our framework firstly introduces CGAN backbone to facilitate the feature representation by compressing the kernel parameter space compared with typical algorithms,...
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Automatic audio signal mixing system based on one-dimensional Wave-U-Net autoencoders
PublicationThe purpose of this dissertation is to develop an automatic song mixing system that is capable of automatically mixing a song with good quality in any music genre. This work recalls first the audio signal processing methods used in audio mixing, and it describes selected methods for automatic audio mixing. Then, a novel architecture built based on one-dimensional Wave-U-Net autoencoders is proposed for automatic music mixing. Models...
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Influence of Parameters of Laser Beam Welding on Structure of 2205 Duplex Stainless Steel
PublicationLaser welding is used in modern industry, having many advantages comparing to traditional welding technologies. Nowadays, industry sectors such as shipbuilding, automotive and aviation can’t be imagined without laser processing technologies. Possibility of increase of welded joint properties, autogenous welding and high level of process automation makes the technology of laser welding perspective part of the industry. Physical...
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Detection and Direction-of-Arrival Estimation of Weak Spread Spectrum Signals Received with Antenna Array
PublicationThis paper presents a method for the joint detection and direction of arrival (DOA) estimation of low probability of detection (LPD) signals. The proposed approach is based on using the antenna array to receive spread-spectrum signals hidden below the noise floor. Array processing exploits the spatial correlation between phase-delayed copies of the signal and allows us to evaluate the parameter used to make the decision about the...
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Nanocrystalline diamond sheets as protective coatings for fiber-optic measurement head
PublicationFiber-optic sensors find numerous applications in science and industry, but their full potential is limited because of the risk of damaging the measurement head, in particular, due to the vulnerability of unprotected tips of the fiber to mechanical damage and aggressive chemical agents. In this paper, we report the first use of a new nanocrystalline diamond structure in a fiber-optic measurement head as a protective coating of...
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Experimental Investigations of Fracture Process Using DIC in Plain and Reinforced Concrete Beams under Bending
PublicationThe fracture behaviour of concrete and reinforced concrete beams under quasi-static three-point bending was comprehensively investigated with experiments at laboratory scale. The eight various concrete mixes were tested. The influence of the shape, volume and size of aggregate particles and reinforcement on concrete fracture under bending was studied. Displacements on the surface of concrete beams were measured by means of the...
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Application 2D Descriptors and Artificial Neural Networks for Beta-Glucosidase Inhibitors Screening
PublicationBeta-glucosidase inhibitors play important medical and biological roles. In this study, simple two-variable artificial neural network (ANN) classification models were developed for beta-glucosidase inhibitors screening. All bioassay data were obtained from the ChEMBL database. The classifiers were generated using 2D molecular descriptors and the data miner tool available in the STATISTICA package (STATISTICA Automated Neural...
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Polymerization of chloro-p-xylylenes, quantum-chemical study
PublicationThe p-xylylene monomers of parylene N, C and D have similar high polymerization reactivity. For effective copolymerization processes this fact is basically a draw- back and for instance the copolymerization with styrene doesn't go at all (Corley et al. J Pol Sc 13(68):137156, 1954). Substitution of terminal hydrogen atoms by chlorine atoms reduces reactivity dramatically. 7,7,8,8-tetrachloro-p- xylylene and 2,5,7,7,8,8-hexachloro-p-xylylene...
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Maritime traffic situation awareness analysis via high-fidelity ship imaging trajectory
PublicationSituation awareness provides crucial yet instant information to maritime traffic participants, and significant attentions are paid to implement traffic situation awareness task via various maritime data source (e.g., automatic identification system, maritime surveillance video, radar, etc.). The study aims to analyze traffic situation with the support of ship imaging trajectory. First, we employ the dark channel prior model to...
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Self-organising maps in the analysis of strains of human abdominal wall to identify areas of similar mechanical behaviour.
PublicationThe study refers to the application of a type of artificial neural network called the Self-Organising Map (SOM) for the identification of areas of the human abdominal wall that behave in a similar mechanical way. The research is based on data acquired during in vivo tests using the digital image correlation technique (DIC). The mechanical behaviour of the human abdominal wall is analysed during changing intra-abdominal pressure....
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Experimental and Numerical Investigations of the Effect of Curing Conditions on the Temperature Rise of Concrete
PublicationThis paper presents experimental and numerical studies investigating the impact of three curing conditions on temperature evolution in concrete cubes. The tests were performed on samples of the same volume (3.375 dm3) under different curing conditions: room temperature, insulation boxes, and adiabatic calorimeter. Various cements (Portland cement, Portland composite cement, and blast furnace slag cement) and aggregates (gravel...
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Assessment of organic coating degradation via local impedance imaging
PublicationThe paper presents a new approach to organic coating condition evaluation at micrometer scale using localized impedance measurements. It is based on atomic force microscopy (AFM) in contact mode. Impedance is measured between conductive AFM tip and metal substrate covered with organic coating. A single-frequency voltage perturbation signal is applied between the electrodes and current response signal is registered. As the tip is...
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The Use of Wavelet Analysis to Denoising of Electrocardiography Signal
PublicationThe electrocardiography examination, due to its accessibility and simplicity, has an important role in diagnostics of the heart ailments. It enables quick detection of various heart defects, undetectable by other kinds of diagnostic tools, so it is very popular. Nevertheless, the measured signal is exposed to a different disturbances. Among them, the electromagnetic interferences, drift of reference electrode and high frequency...
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Improving depth maps of plants by using a set of five cameras
PublicationObtaining high-quality depth maps and disparity maps with the use of a stereo camera is a challenging task for some kinds of objects. The quality of these maps can be improved by taking advantage of a larger number of cameras. The research on the usage of a set of five cameras to obtain disparity maps is presented. The set consists of a central camera and four side cameras. An algorithm for making disparity maps called multiple...
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Reliability and Validity of Optoelectronic Method for Biophotonical Measurements
PublicationReliability and validity of measurements is of utmost importance when assessing measuring capability of instruments developed for research. In order to perform an experiment which is legitimate, used instruments must be both reliable and valid. Reliability estimates the degree of precision of measurement, the extent to which a measurement is internally consistent. Validity is the usefulness of an instrument to perform accurate...
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Stability evaluation of the marine propulsion unit mechanical system bymeans of vibrations measurements and their analysis.
PublicationIn paper selected issues concerning vibration diagnosis of the mechanical system within marine propulsion units have been given. The analysis of vibration parameters was carried out on the basis of experimental examinations of a real object in which an exceedance of the allowable vibration's level had been observed. In the beginning, the vibration apparatus being on laboratory equipment of the Department of Ship Power Plants of...
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Functionalization of Parylene During Its Chemical Vapor Deposition
PublicationTwo possible mechanisms for the reaction of four halogenated (metha)acrylate-based molecules with Parylene [poly (paraxylylene)] during its chemical vapor deposition were proposed. The chemical reactivity of acrylate double bond with the paraxylylene biradical was calculated for all four (metha)acrylate-based molecules. These calculations allowed the evaluation of the energetically favorable mechanism and indeed a direct correlation...
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Spectroscopic and photophysical properties of ZNTPP in a room temperature ionic liquid
PublicationThe steady-state absorption and emission spectra and the time-resolved Soret- and Q-band excited fluorescence profiles of the model metalloporphyrin, ZnTPP, have been measured in a highly purified sample of the common room temperature ionic liquid, [bmim][PF(6)]. S(2)-S(0) emission resulting from Soret-band excitation behaves in a manner completely consistent with that of molecular solvents of the same polarizability. The ionic...
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Unsaturated, biobased polyesters and their cross-linking via radical copolymerization
PublicationBiobased, unsaturated polyesters derived from isosorbide, maleic anhydride and succinic acid were synthesized and characterized. The presence of maleic anhydride units in the structure of the polyesters allowed converting them into cured coatings by radical copolymerization with cross-linking agents such as 2-hydroxyethyl methacrylate, N-vinyl-2-pyrrolidinone, acrylic acid or methacrylamide. The investigated polyesters were obtained...
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Process zone in the Single Cantilever Beam under transverse loading. - Part II: Experimental
PublicationThis paper describes an experimental arrangement to evaluate stress/strain fields in the process zone of asymmetric adhesively bonded joints. A transparent polycarbonate flexible beam was bonded to an aluminium alloy rigid block with an epoxy adhesive in a Single Cantilever Beam (SCB) configuration. The flexible adherend was loaded in the direction parallel to the initial crack front at constant rate. To monitor strains induced...
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Cost-Effective and Sufficiently Precise Integration Method Adapted to the FEM Calculations of Bone Tissue
PublicationThe technique of Young’s modulus variation in the finite element is not spread in biomechanics. Our future goal is to adapt this technique to bone tissue strength calculations. The aim of this paper is to present the necessary studies of the element’s integration method that takes into account changes in material properties. For research purposes, a virtual sample with the size and distribution of mechanical properties similar...
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Quantum metrology: Heisenberg limit with bound entanglement
PublicationQuantum entanglement may provide a huge boost in the precision of parameter estimation. However, quantum metrology seems to be extremely sensitive to noise in the probe state. There is an important still open question: What type of entanglement is useful as a resource in quantum metrology? Here we raise this question in relation to entanglement distillation. We provide a counterintuitive example of a family of bound entangled states...
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FTIR spectroscopic and thermogravimetric characterization of ground tyre rubber devulcanized by microwave treatment
PublicationIn this work, the phenomena involved in the microwave devulcanization of ground tyre rubber (GTR) were investigated. Three types of GTR with different content of organic compounds (elastomers, plasticizers, etc.), carbon black and ash have been studied. The chemical structure of GTR before and after a microwave devulcanization process was analyzed by Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA)...
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Water-mediated influence of a crowded environment on internal vibrations of a protein molecule
PublicationThe influence of crowding on the protein inner dynamics is examined by putting a single protein molecule close to one or two neighboring protein molecules. The presence of additional molecules influences the amplitudes of protein fluctuations. Also, a weak dynamical coupling of collective velocities of surface atoms of proteins separated by a layer of water is detected. The possible mechanisms of these phenomena are described....
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Stability evaluation of the marine propulsion unit's mechanical system by means of vibration measurements and their analysis
PublicationIn this paper selected issues concerning vibration diagnosis of the mechanical system within marine propulsion units have been given. The analysis of vibration parameters was carried out on the basis of experimental examinations of a real object in which an exceedance of the allowable vibration's level had been observed. In the beginning, the vibration apparatus being on laboratory equipment of the Department of Ship Power Plants...
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Feedline Alterations for Optimization-Based Design of Compact Super-Wideband MIMO Antennas in Parallel Configuration
PublicationThis letter presents a technique for size reduction of wideband multiple-input-multiple-output (MIMO) antennas. Our approach is a two-stage procedure. At the first stage, the antenna structure is modified to improve its impedance matching. This is achieved through incorporation of an n-section tapered feedline, followed by reoptimization of geometry parameters. Reducing the maximum in-band reflection well beyond the acceptance...
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Investing in wine, precious metals and G-7 stock markets – A co-occurrence analysis for price bubbles
PublicationThis paper used the GSADF test to determine the periods defined in this paper as price bubbles in the three markets studied, i.e. the investment wine market, precious metal market and national stock market indices of G-7 countries. The results obtained enabled the calculation of the values of the phi correlation coefficients, which served the research objective of assessing the co-occurrence of price bubbles in the markets analysed....
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Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air
PublicationPartition coefficients define how a solute is distributed between two immiscible phases at equilibrium. The experimental estimation of partition coefficients in a complex system can be an expensive, difficult, and time-consuming process. Here a computational strategy to predict the distributions of a set of solutes in two relevant phase equilibria is presented. The octanol/water and octanol/air partition coefficients are predicted...
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Comparison of the Physical and Sensory Properties of Hybrid Citrus Fruit Jaffa® Sweetie in Relation to the Parent Fruits
PublicationIn the presented study, an overall Jaffa sweetie evaluation was made to find a correlation between Citrus grandis Osbeck × Citrus paradisi Macf. and its parent fruits’ (Citrus grandis Osbeck, Citrus paradisi Macf.) properties. Based on the sensory analysis, it was found that the taste and aroma of the new hybrid fruit are close to pummelo. By the use of chromatographic analysis, the selected monoterpenes present in the fruits were...
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The efficiency and technological reliability of biogenic compounds removal during long-term operation of a one-stage subsurface horizontal flow constructed wetland
PublicationThe paper presents the results of a study of the efficiency and technological reliability of total nitrogen and total phosphorus removal during long term operation of a one-stage constructed wetland system with subsurface horizontal wastewater flow. The flow rate of the wastewater treatment plant was 1.2m3/d during the research period. Physical and chemical analyses of raw wastewater and treated effluent were carried out in the...
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Investigations of size effect in concrete at aggregate level - experiments and calculations results using discrete element method
PublicationSize effect is a fundamental phenomenon in concrete. It is characterised by decreasing strength and increasing brittleness of concrete with increasing size. The thesis includes experimental and theoretical elements. The main goal of the thesis were investigations of a size effect at the aggregate level by taking fracture into account with the discrete element method (DEM) for various failure modes. Comprehensive experiments on...
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Vernacular and low-tech technologies in humanitarian architecture on the example of Senegal
PublicationHumanitarian architecture belongs to the broader trend of socially engaged architecture, whose main goal is to introduce new values to the quality of life of particular communities. Specifically, humanitarian architecture deals with aid to poverty-stricken communities. The context of economic constraints poses a particular challenge to architects and builders. It is a matter of natural necessity to look for cheap, locally available...
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Applying response surface method to optimize the performance of a divergent-chimney solar power plant
PublicationOne of the effective tools to generate electricity from solar energy is Divergent-chimney solar power plant (DSPP). Divergent and cylindrical chimneys of solar power plants have different performances considering turbine pressure drop ratio (ft). For the first time, the divergent angle (DA) and solar radiation (SR) interaction effects on 〖ft〗_opt are discussed through applying the Computational Fluid Dynamics (CFD) and Response...
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A study of the kinetics of bismuth telluride synthesis by an oxide reduction method
PublicationThe kinetics of a reduction of bismuth and tellurium oxides in a hydrogen atmosphere, leading to the formation of thermoelectric bismuth telluride is investigated. The evaluation of the reaction kinetics was based on a thermogravimetric analysis performed in non-isothermal conditions. A non-parametric analysis method and the Friedman method were used for the evaluation of the data. Additionally, for a better understanding of the...
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Striking elements - A lifebelt or a fad? Searching for an effective way of adapting abandoned churches.
PublicationAre avant-garde elements added to historical objects as a temporary fashion to fulfill the aspirations of designers or an attempt to draw attention to themselves? It may be the exact opposite, and this type of controversial project is the best lifebelt for such monuments. This article explores issues related to external avant-garde elements added to adapted churches and their influence on the efficiency of such adaptation projects....
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Displacements of bones during bending test of first metatarsophalangeal joint after arthrodesis with medially or dorsally positioned locking plate and lag screw.
Open Research DataThe Dataset contains the values of displacements of bone control points during the bending test of first metatarsophalangeal (MTP1) joint specimens after arthrodesis.
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A comparative analysis of phenotypic and genotypic methods for the determination of the biofilm-forming abilities of Staphylococcus epidermidis
PublicationThe collection of 146 Staphylococcus epidermidis strains isolated from the nasopharynx of lung cancer patients has been studied for the ability of slime secretion and biofilm formation using the Congo red agar (CRA) test and the microtiter plate (MtP) method, respectively. The prevalence of the icaAD and the aap genes was also analyzed. Some isolates (35.6%) were biofilm positive by the MtP method, while 58.9% of isolates exhibited...
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Development of an orbital shaker-assisted fatty acid-based switchable solvent microextraction procedure for rapid and green extraction of amoxicillin from complex matrices: Central composite design
PublicationIn this study, a cheap, fast and simple orbital shaker-assisted fatty acid-based switchable solvent microextraction (OS-FASS-ME) procedure was developed for the extraction of amoxicillin (AMOX) in dairy products, pharmaceutical samples and wastewater prior to its spectrophotometric analysis. Fatty acid-based switchable solvents were investigated for extracting AMOX. The key factors of the OS-FASS-ME procedure were optimized using...
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Biological processes modelling for MBR systems: A review of the state-of-the-art focusing on SMP and EPS
PublicationA mathematical correlation between biomass kinetic and membrane fouling can improve the understanding and spread of Membrane Bioreactor (MBR) technology, especially in solving the membrane fouling issues. On this behalf, this paper, produced by the International Water Association (IWA) Task Group on Membrane modelling and control, reviews the current state-of-the-art regarding the modelling of kinetic processes of biomass, focusing on...
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The mediational role of future and past time perspectives in the relationship between negative affectivity and sense of coherence
PublicationSense of coherence (SoC) can promote positive coping, and one of its most prominent negative correlates is negative affectivity (NA). In the current study, we hypothesized that future and past time perspectives (TPs) will mediate the relationship between sense of coherence and negative affectivity, and the inverse relationship. The study was questionnaire-based, performed online. N = 719 participants aged 25-45 from...
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Does pandemic denial help or harm? Belief in COVID-19 and experience of it affect psychological consequences of using neurotic defence mechanisms
PublicationObjective: The COVID-19 pandemic may activate thoughts of death, leading to aversive psychological states. In such situations, defence mechanisms emerge; however, their adaptability depends on many factors. The aim of the study was to investigate the relationship between neurotic defence style and depressive symptoms. We assumed that the sense of coherence underlies this correlation and investigated how both believing (or not)...
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Determination of pressure drop in flow condensation of HFE7000 in minichannels with account of non-adiabatic effects
PublicationFlow boiling and flow condensation are often regarded as two opposite or symmetrical phenomena involving the change of phase. There is a temptation to describe both these phenomena with one only correlation, however such method has yet to be suggested. From amongst the structures present in flow boiling and flow condensation at least the annular flow structure seems to be mostly appropriate to the common modeling. However, the shear...