Filtry
wszystkich: 633
wybranych: 450
Wyniki wyszukiwania dla: WATER DYNAMICS
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Effect of heat treatment on the diffusion intermixing and structure of the Cu thin film on Si (111) substrate: a molecular dynamics simulation study
PublikacjaThis work is devoted to the study of the diffusion process at the interface between copper films with a thickness of 2, 3, 4, 7 and 10 atomic monolayers and silicon substrate by molecular dynamics simulation method. For this purpose, the variation of the concentration of copper and silicon along the perpendicular direction to the interface was investigated. An analysis of the density profile along this direction made it possible...
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Molecular dynamics simulations reveal the balance of forces governing the formation of a guanine tetrad—a common structural unit of G-quadruplex DNA
PublikacjaG-quadruplexes (G4) are nucleic acid conformations of guanine-rich sequences, in which guanines are arranged in the square-planar G-tetrads, stacked on one another. G4 motifs form in vivo and are implicated in regulation of such processes as gene expression and chromosome maintenance. The structure and stability of various G4 topologies were determined experimentally; however, the driving forces for their formation are not fully...
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Zintegrowane sterowanie systemami zaopatrzenia w wodę pitną
PublikacjaOptymalne ekonomicznie zaspokojenie w miastach bieżącego zapotrzebowania na wodę pitną tak, aby spełnione były wymagania jakości dostaw oraz jakości samej wody jest złożonym zadaniem. Zarówno aspekty aplikacyjne jak i teoretyczne tego problemu są przedmiotem intensywnych prac prowadzanych w sektorach naukowych i przemysłowych na całym świecie. Prace te finansowane są przez przemysł, komitety naukowe oraz Programy Ramowe Unii Europejskiej....
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Current understanding of the effects of inspiratory resistance on the interactions between systemic blood pressure, cerebral perfusion, intracranial pressure, and cerebrospinal fluid dynamics
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Analysis of interactions responsible for vasopressin binding to human neurohypophyseal hormone receptors—molecular dynamics study of the activated receptor–vasopressin–Gα systems
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"Car-Parrinello molecular dynamics" jako kluczowe narzędzie informatyczne w badaniach syntezy cienkich warstw diamentowych metodą PA CVD
PublikacjaPraca omawia zastosowanie metody Car-Parrinello MD w symulacji procesu wzrostu cienkich warstw diamentowych w metodzie PAC VD.
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Spectroscopic studies on physicochemical properties of selected unsymmetrical bisacridine derivatives and NMR analysis of their interactions with the model sequence Pu22 aided by molecular dynamics
PublikacjaIn recent years, new promising acridine derivatives have appeared, belonging to the unsymmetrical bisacridines (UAs) family with high anticancer activity. Both their physicochemical properties and their mechanism of action at the molecular level have not been thoroughly analyzed so far. Four derivatives were selected for the study, termed as: C-2028, C-2041, C-2045 and C-2053. The first aim of this work was to determine the protonation...
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Interactions of N-alkyl-N-methylmorpholinium based ionic liquids with acetonitrile studied by density and velocity of sound measurements and molecular dynamics simulations
PublikacjaMorpholinium-based ionic liquids (ILs) and their mixtures with polar co-solvents are an interesting class of emerging electrolytes in electrochemistry that is relatively poorly studied. In this work, densities and sound velocities of four ILs, N-ethyl-N-methylmorpholinium tetrafluoroborate, N-butyl-N-methylmorpholinium tetrafluoroborate, N-octyl-N-methylmorpho-linium tetrafluoroborate and N-decyl-N-methylmorpholinium tetrafluoroborate...
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Electromagnetic Control and Dynamics of Generalized Burgers’ Nanoliquid Flow Containing Motile Microorganisms with Cattaneo–Christov Relations: Galerkin Finite Element Mechanism
PublikacjaIn our research work, we have developed a model describing the characteristics of the bio-convection and moving microorganisms in the flows of a magnetized generalized Burgers’ nanoliquid with Fourier’s and Fick’s laws in a stretchable sheet. Considerations have been made to Cattaneo–Christov mass and heat diffusion theory. According to the Cattaneo–Christov relation, the Buongiorno phenomenon for the motion of a nanoliquid in...
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Hydrophobic and hydrophilic properties of pollutants as a factor influencing their redistribution during snowpack melt
PublikacjaGlaciers accumulate organic pollutants delivered by snow. However, our understanding of the exact dynamics of organic pollutants in the snowpack relies primarily on laboratory experiments and mathematical models. To fill the gap related to the detailed field data, we have conducted observations of melting snow profiles in two locations and three different stages of melting on one High Arctic glacier, as well as in superimposed...
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Dynamics of changes in iron concentration and total iron binding capacity in blood plasma of goat kids during their first month of life (Short Communication)
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Positive and negative feedback loops in nutrient phytoplankton interactions related to climate dynamics factors in a shallow temperate estuary (Vistula Lagoon, southern Baltic)
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Biogeochemical and mineralogical effects of Fe-P-S dynamics in sediments of continental shelf sea: Impact of salinity, oxygen conditions, and catchment area characteristics
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A prototypical non-malignant epithelial model to study genome dynamics and concurrently monitor micro-RNAs and proteins in situ during oncogene-induced senescence
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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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BACTERIAL INACTIVATION VIA LASER-DRIVEN GOLD NANOPARTICLE HEATING: SIMULATION AND ANALYSIS
PublikacjaThis study utilizes CFD technique to simulate the inactivation of E. coli bacteria within a microfluidic chamber, employing gold nanoparticles irradiated by a laser beam. Employing a single-phase model, the presence of bacteria is considered by treating thermal properties in the governing equations as effective, combining those of water and bacteria using established correlations from scientific literature. The conversion of light...
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Anthropogenic trace metals in Setiu Wetland: Spatial and seasonal distribution and implications for environmental health
PublikacjaThe growing urban wastewater volume poses a major global environmental challenge, especially in developing nations where inadequate treatment and discharge impact clean water availability. This study focused on Setiu Wetland, aiming to analyze seasonal and spatial variations of trace metals in particulate form from anthropogenic and pathogenic sources. Surface water samples were collected from multiple stations, measuring physical...
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Flood Modelling and Risk Analysis of Cinan Feizuo Flood Protection Area, Huaihe River Basin
PublikacjaThis study evaluated multiple aspects of flood risks and effects on the Cinan Feizuo flood protection area in the Huaihe River basin. Flooding remains a leading problem for infrastructure, especially in urban, residential areas of the region. Effective flood modeling for urbanized floodplains is challenging, but MIKE (ID-2D) is paramount for analyzing and quantifying the risk in the vulnerable region. The Saint-Venant equation...
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Identification of 1H‐indene‐(1, 3, 5, 6)‐tetrol derivatives as potent pancreatic lipase inhibitors using molecular docking and molecular dynamics approach
PublikacjaPancreatic lipase is a potential therapeutic target to treat diet-induced obesity in humans, as obesity-related diseases continue to be a global problem. Despite intensive research on finding potential inhibitors, very few compounds have been introduced to clinical studies. In this work, new chemical scaffold 1H-indene-(1,3,5,6)-tetrol was proposed using knowledge-based approach, and 36 inhibitors were derived by modifying its...
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Correction to: A prototypical non-malignant epithelial model to study genome dynamics and concurrently monitor micro-RNAs and proteins in situ during oncogene-induced senescence
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Soil and groundwater contamination as a result of sewage sludge land application
PublikacjaThe leaching of chemical compounds (N-NO3, N-NH4, Norg, P-PO4, Ptot) and trace elements (Cd, Cu, Cr, Ni, Zn, and Pb) from sewage sludge and their migration through the soil profile was the subject of the study. The column experiments were carried out under atmospheric conditions corresponding to naturally occurring storm events - sewage sludge amended soil was irrigated with high rates of water. The column filter media used in...
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CFD COUPLING OF VOF MODEL WITH ARRHENIUS EQUATION FOR ANALYSIS OF LASER-INDUCED THERMAL DEACTIVATION OF E. COLI
PublikacjaUnderstanding bacterial deactivation at the micro-scale, particularly with E. coli, is crucial for advancing microbiology and has promising applications in biomedical research. In this research contribution, we investigate the thermal inactivation of E. coli bacteria using gold nanoparticles irradiated by a green 1-W laser within a microfluidic chamber. The microfluidic device comprises a fluidic chamber filled with a thin film...
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Simulation of Life Raft Motions on Irregular Wave - An Analysis of Situations Leading to Raft Capsizing
PublikacjaSuccessful rescue action at sea is based on a. o. a correct choice of rescue means and their reliability. Operational characteristics of life-saving appliances determine their performance in a given water area. Therefore they affect duration time of rescue action and decide this way on survival time of shipwrecked persons. This paper presents impact of characteristics of circular inflatable life rafts on their dynamics in a...
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Dynamics of fault arc traveling along busbars in high voltage switchboards = Dynamika łuku zwarciowego przemieszczającego się wzdłuż szyn rozdziel-nic wysokiego napięcia
PublikacjaThe paper presents the results of magnetic induction and electrodynamic force calculations acting on arc column during short-circuit in medium voltage air-insulated bus-bars. The gap between the bars was 120 mm and the prospective short-circuit currents ranged from 4 kA to 8 kA. The paper also shows the measurement results of average velocity fault arc depending on currents arc diameter and arc current was established and described....
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Preferential solvation in (amide+alcohol) binary mixtures. Part 2. The N-methylpyrrolidinone+methanol mixture at T = 313.15 K: thermodynamic resultsand molecular dynamics calculations.
PublikacjaBadano zjawisko preferencyjnej solwatacji amidu (N-metylopyrrolidonu) przez metanol wykorzystując dwie uzupełniające się metody: bezpośrednich pomiarów własności termodynamicznych roztworu oraz symulacji komputerowych. W metodzie pierwszej dokonano pomiarów wielkości termodynamicznych takich jak: nadmiarowa energia swobodna mieszania, nadmiarowa objętość mieszania oraz współczynnika ściśliwości izotermicznej mieszaniny,...
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Preferential solvation in (amide+alcohol) binary mixtures. Part 1. The N- methylpyrrolidinone+ethanol mixture at T = 313.15 K: thermodynamic resultsand molecular dynamics calculations.
PublikacjaBadano zjawisko preferencyjnej solwatacji amidu (N-metylopyrrolidonu) przez etanol wykorzystując dwie uzupełniające się metody: bezpośrednich pomiarów własności termodynamicznych roztworu oraz symulacji komputerowych. W metodzie pierwszej dokonano pomiarów wielkości termodynamicznych takich jak: nadmiarowa energia swobodna mieszania, nadmiarowa objętość mieszania oraz współczynnika ściśliwości izotermicznej mieszaniny,...
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Prototype of an opto-capacitive probe for non-invasive sensing cerebrospinal fluid circulation
PublikacjaIn brain studies, the function of the cerebrospinal fluid (CSF) awakes growing interest, particularly related to studies of the glymphatic system in the brain, which is connected with the complex system of lymphatic vessels responsible for cleaning the tissues. The CSF is a clear, colourless liquid including water (H2O) approximately with a concentration of 99 %. In addition, it contains electrolytes, amino acids, glucose, and...
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Assembly of 1D Granular Structures from Sulfonated Polystyrene Microparticles
PublikacjaBeing able to systematically modify the electric properties of nano- and microparticles opens up new possibilities for the bottom-up fabrication of advanced materials such as the fabrication of one-dimensional (1D) colloidal and granular materials. Fabricating 1D structures from individual particles offers plenty of applications ranging from electronic sensors and photovoltaics to artificial flagella for hydrodynamic propulsion....
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Adsorption onto zeolites: molecular perspective
Publikacja2D minerals are among key elements of advanced systems, but the need for understanding their interactions/reactions with materials and systems in which they are involved necessitates tracking their molecular and atomic monitoring. Zeolitic structures are microporous materials formed in the nature through volcanic activities or synthesis. Because of their outstanding physicochemical properties like cation exchange capacity and excellent...
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Investigation of mechanism of desmopressin binding in vasopressin V2 receptor versus vasopressin V1a and oxytocin receptors: Molecular dynamics simulation of the agonist-bound state in the membrane–aqueous system
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Evaluation of respiration capacity of VF in hybrid constructed wetland systems.
PublikacjaThree VF-beds operating in hybrid constructed wetlands in configuration HF-VF-HF were analysed. These hybrid constructed wetlands provide the II stage biological treatment. They are located in Pommerania voivodship, in Sarbsk, Wiklino and Wieszyno, and their capacities are 29.5, 14.2 and 21.6 m3/d, respectively. The article focuses on performance and operation of VF-CW plants during one year. Based on removal of organic matter...
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Laser-Induced Graphitization of Polydopamine on Titania Nanotubes
PublikacjaSince the discovery of laser-induced graphite/graphene, there has been a notable surge of scientific interest in advancing diverse methodologies for their synthesis and applications. This study focuses on the utilization of a pulsed Nd:YAG laser to achieve graphitization of polydopamine (PDA) deposited on the surface of titania nanotubes. The partial graphitization is corroborated through Raman and XPS spectroscopies and supported...
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Thermodynamics and kinetics of amphotericin B self-association in aqueous solution characterized in molecular detail
PublikacjaAmphotericin B (AmB) is a potent but toxic drug commonly used to treat systemic mycoses. Its efficiency as a therapeutic agent depends on its ability to discriminate between mammalian and fungal cell membranes. The association of AmB monomers in an aqueous environment plays an important role in drug selectivity, as oligomers formed prior to membrane insertion – presumably dimers – are believed to act differently on fungal (ergosterol-rich)...
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A hybrid model of flooding of the ro-ro ships in damaged conditions
PublikacjaThe paper presents some results on investigations concerning development of a hybrid model for assessment of performance of the ro‐ro ships in damaged conditions. The model is devoted towards assessing the performance of the damaged ro‐ro ships at the preliminary stage of design. The key problems associated with preparing of such the model are associated with working out a method of assessment of the damaged roro ships performance,...
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Study of New Oxytocin Antagonist Barusiban (Fe200 440) Affinity Toward Human Oxytocin Receptor Versus Vasopressin V1a and V2 Receptors - Molecular Dynamics Simulation in POPC Bilayer
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Algorithms and Tools for Intelligent Control of Critical Infrastructure Systems
PublikacjaCritical Infrastructure Systems (CIS) are spatially distributed and of a network structure. The dynamics are nonlinear, uncertain and with several time scales. There is a variety of different objectives to be reliably met under a wide range of operational conditions. The operational conditions are influenced by the disturbance inputs, operating ranges of the CIS, faults in the sensors and actuators and abnormalities occurring in...
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Landscape as a Potential Key Concept in Urban Environmental Planning: The Case of Poland
PublikacjaRapid urban development increases the consumption of materials, energy, and water, resulting in an overproduction of waste and emissions. These cause many environmental threats, such as ozone layer depletion and rain acidification, leading to climate change. Therefore, the question arises on how to improve the effectiveness of tools that strengthen environmental protection. This discursive article presents an approach stressing...
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Application of the ISE Optimized Proportional Control of the Wave Maker in a Towing Tank
PublikacjaThis paper presents the improvement of the wave maker control system. The wave maker is a facility widely used in hydromechanics laboratories to generate waves in towing tanks. It is equipped with an electrohydraulic drive and an actuator submerged into water. The waves are generated to model the environmental conditions for physical experiments, performed on reduced-scale models of maritime objects. The physical experiments allow...
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Seasonal changes of mercury speciation in the coastal sediments
PublikacjaPurpose Mercury speciation in sediments is linked to environmental conditions and processes. Domination of particular mercury species depends on its source, displays considerable seasonal behavior, and may be further modified due to oxygen levels, icing conditions, or the input of fresh organic matter. The purpose of this study was to examine the coastal area of the Gulf of Gdańsk in terms of mercury contamination and the influence...
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3-Methoxytyramine Is the Major Metabolite of Released Dopamine in the Rat Frontal Cortex: Reassessment of the Effects of Antipsychotics on the Dynamics of Dopamine Release and Metabolism in the Frontal Cortex, Nucleus Accumbens, and Striatum by a Simple T
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Toward Mechanosynthesis of Diamondoid Structures: VI. Quantum-Chemical Molecular Dynamics Comparison of Conditions for the STM Tip Driven Mechanosynthesis on Hydrogenated Si(111), Si(110) and Si(100) Surfaces.
Publikacjamożliwość prototypowania przejściowych generacji nano-urządzeń otrzymanych drogą pozycjonowanej mechanosyntezy za pomocą stm wyposażonego w ostrze typu swcnt są analizowane metodą kwantowo-chemicznej dynamiki molekularnej. proponowana strategia syntezy polega na insercji atomów si oraz cząsteczek sih2 we wiązania si-h na uwodornionej powierzchni si(111), si(110) oraz si(100) kryształu krzemu. rezultaty modelowania sugerują, że...
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Diurnal variability of atmospheric water vapour, precipitation and cloud top temperature across the global tropics derived from satellite observations and GNSS technique
PublikacjaThe diurnal cycle of convection plays an important role in clouds and water vapour distribution across the global tropics. In this study, we utilize integrated moisture derived from the global navigation satellite system (GNSS), satellite precipitation estimates from TRMM and merged infrared dataset to investigate links between variability in tropospheric moisture, clouds development and precipitation at a diurnal time scale. Over...
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Mercury in suspended matter of the Gulf of Gdańsk: Origin, distribution and transport at the land–sea interface
PublikacjaThe coastal regions of inland seas are particularly vulnerable to Hg pollution. An important carrier of toxic Hg in the marine environment is suspended matter originating from multiple sources. The present study was conducted in the Gulf...
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A Novel Cryptic Clostridial Peptide That Kills Bacteria by a Cell Membrane Permeabilization Mechanism
PublikacjaThis work reports detailed characteristics of the antimicrobial peptide Intestinalin (P30), which is derived from the LysC enzyme of Clostridium intestinale strain URNW. The peptide shows a broader antibacterial spectrum than the parental enzyme, showing potent antimicrobial activity against clinical strains of Gram-positive staphylococci and Gram-negative pathogens and causing between 3.04 ± 0.12 log kill for Pseudomonas aeruginosa...
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Turning maneuver as a potential cause of the next stability failure mode for a ship in operation
PublikacjaThe only formal stability-related requirement referring to a turning maneuver of a ship results from the IS Codeand its application is limited to passenger ships only. The goal of the adopted criterion is to prevent an excessiveangle of heel in turn. Likewise, the remaining prescriptive criteria, this one is simply based on the concept ofa threshold that must not be exceeded. In this case, the angle of heel...
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Numerical modelling of POC dynamics in the southern Baltic under possible future conditions determined by nutrients, light and temperature**The study was financially supported by the Polish Ministry of Science and Higher Education (grants: NN305 111636 and NN306 404338) and Baltic-C – the BONUS funded project.
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Technological Capability and Absorptive Capacity Dynamics through Cluster Organizations, In: Sekliuckienė J., Susnienė R. (Eds). AIB-CEE 2019. Book of abstracts (pp. 127), 6th Academy of International Business Central Eastern European (AIB-CEE) chapter annual conference: „International business in the dynamic environment: changes in digitalization, innovation and entrepreneurship”, Kaunas University of Technology, Lithuania, September 25-27 (eISBN 9786090216378)
PublikacjaThe purpose of the paper is to portrait how members of cluster organizations (COs) perceive the role of clusters in enabling them accumulation of technological capability significant for their innovation. The authors report the findings from the qualitative study based on analysis of four COs from the metal and the highly internationalized ICT industry that concerns the role of knowledge and other cluster benefits in technological...
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Effect of operating conditions on N 2 O production in an anammox sequencing batch reactor containing granular sludge
PublikacjaNitrous oxide (N2O) is one of the gases with the greatest impact in the atmosphere due to its persistence and significant contribution to the greenhouse effect. This study provides an insight into the dynamics of N2O production in wastewater nitrogen removal systems. A 10 L sequencing batch reactor containing enriched anammox biomass was subjected to different operational conditions, i.e., temperature, feed time, NO2 /NH4 þ ratio...
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Two-Level Multivariable Control System of Dissolved Oxygen Tracking and Aeration System for Activated Sludge Processes
PublikacjaThe problem of tracking dissolved oxygen is one of the most complex and fundamental issues related to biological processes. The dissolved oxygen level in aerobic tanks has significant influence on behaviour and activity of microorganism inhabiting the plant. Aerated tanks are supplied with air from an aeration system (blowers, pipes, throttling valves, diffusers). It is a complex dynamic system governed by nonlinear hybrid dynamics....
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How water mediates the long-range interactions between remote protein molecules
PublikacjaThe high crowding of macromolecules in the cytoplasm affects the processes that occur inside a living cell. It can, for example, promote the forming of various loosely connected structures of proteins. It also means that bulk water is, essentially, not present there. The relatively thin layer of solvent that separates macromolecules may be able to participate in the long-range interactions between them and make them respond to...