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Wyniki wyszukiwania dla: HIV-1 INTEGRASE, INHIBITORS, DOCKING, ACTIVE SITE, ALLOSTERIC SITE,MOLECULAR DYNAMICS
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Active carbons from waste biochars
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Conducting polymers electrodeposited on active metals
PublikacjaPraca poświęcona studiom literaturowym doniesień dotyczących polimerów przewodzących, osadzanych na metalach aktywnych. Zastosowanie polimerów przewodzących jako warstw antykorozyjnych oraz elektrokrystalizacja metali na polimerach przewodzących zostały zebrane i przedstawione w tej pracy.
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Capillary Electrophoresis in Determination of Low Molecular Mass Organic Acids
PublikacjaThis paper presents overviews the capabilities of capillary electrophoretic techniques to determine low molecular mass organic acids in a variety of aqueous, gas and solid samples. It mainly focuses on short - chain carboxylic acids containing one or more carboxylic groups and possibly some other functional groups (hydroxyl, keto-, amino- etc.). Finally the procedures applied to the determine the acids in different matrices are...
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Towards temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. I: Molecular dynamics study of a pair of methane molecules in water at various temperatures
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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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A new approach to active noise and vibration control - [Part I: the known frequency case]
PublikacjaThis paper presents a new approach to rejection of complex-valued sinusoidal disturbances acting at the output of a discrete-time stable linear plant with unknown dynamics. It is assumed that the frequency of the sinusoidal disturbance is known, and that the output signal is contaminated with wideband measurement noise. The disturbance rejection control rule is first derived and analyzed for a nominal plant model, different from...
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Journal of HIV-AIDS & Social Services
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HIV AIDS-Research and Palliative Care
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SOUTHERN AFRICAN JOURNAL OF HIV MEDICINE
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Induction of chirality in 4,4'-azopyridine by halogen-bonding interaction with optically active ditopic donors
PublikacjaOptically active ditopic halogen bond donors bearing two 4-iodotetrafluorophenyl groups were obtained by reaction of chiral diols with iodopentafluorobenzene. Co-crystallization of these donors with anti-4,4′-azopyridine afforded binary complexes containing infinite chains of the alternating component molecules connected by halogen bonds. The solid state CD measurements confirmed that complexation induces optical activity of the...
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ortho-Fluorobenzanilides and ortho-fluorothiobenzanilides: Molecular conformations and crystal packing
PublikacjaSeries of 2-fluoro and 2,6-difluorobenzanilides and their thiobenzanilide analogs have been synthesized to investigate the influence of the fluorine atom on their crystal structures and self-assembly in the crystal lattice. The X-ray analysis of the single crystal revealed that the synthesized molecules adopt a geometry being deflected from planarity. The deflection was investigated by analysis of dihedral angles between mean planes...
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Anti-cancer effect of Rumex obtusifolius in combination with arginase/nitric oxide synthase inhibitors via downregulation of oxidative stress, inflammation, and polyamine synthesis
PublikacjaCancer continues to be a leading cause of death worldwide, making the development of new treatment methods crucial in the fight against it. With cancer incidence rates increasing worldwide, ongoing research must focus on identifying new and effective ways to prevent and treat the disease. The combination of herbal extracts with chemotherapeutic agents has gained much interest as a novel strategy to combat cancer. Rumex obtusifolius...
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Edge coloring of graphs of signed class 1 and 2
PublikacjaRecently, Behr (2020) introduced a notion of the chromatic index of signed graphs and proved that for every signed graph (G, σ) it holds that ∆(G) ≤ χ′(G,σ) ≤ ∆(G) + 1, where ∆(G) is the maximum degree of G and χ′ denotes its chromatic index. In general, the chromatic index of (G, σ) depends on both the underlying graph G and the signature σ. In the paper we study graphs G for which χ′(G, σ) does not depend on σ. To this aim we...
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Projekt Sachalin 1. Rosja - Daleki Wschód
PublikacjaPrzedstawiono podstawowe rozwiązania w zakresie projektu Sachalin 1. Omówiono warunki budowlane i ich wpływ na przebieg projektu. Logistyka, wsparcie, element międzynarodowy.
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Simulation of the number of storm overflows considering changes in precipitation dynamics and the urbanisation of the catchment area: a probabilistic approach
PublikacjaThis paper presents a probabilistic methodology that allows the study of the interactions between changes in rainfall dynamics and impervious areas in urban catchment on a long- and short-term basis. The proposed probabilistic model predict future storm overflows while taking into account the dynamics of changes in impervious areas and rainfall. In this model, a logistic regression method was used to simulate overflow resulting...
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Active dynamic thermography method for TRAM flap blood perfusion mapping in breast reconstruction
PublikacjaThis paper presents the new method of the transverse rectus abdominis musculocutaneous flap blood perfusion mapping based on the active dynamic thermography. The method is aimed at aiding a surgeon during breast reconstruction procedure. A pair of dTnorm and t90_10 parameters were used as parametric image descriptors of the flap blood perfusion. The method was tested on 38 patients that were subjected to breast reconstruction procedure....
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A new method of wind farm active power curve estimation based on statistical approach
PublikacjaThe purpose of this paper is to solve the wind farm active power estimation problem, introducing the method which is based on a statistical approach and robust fitting. The proposed algorithm uses a statistical approach and compared to existing ones- includes a wind direction as well as the influence of turbine start-up procedure on the estimation. The results show that additional estimation inputs i.e. the wind direction and the...
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Chemical and biological evaluation of antioxidant activity of endogenous redox-active compounds compared to plant-derived exogenous antioxidants
PublikacjaThe research conducted so far has shown that endogenous antioxidants, despite being regarded as the first line of antioxidant defense, may not be sufficient to maintain redox homeostasis in cells exposed to oxidative stress. The results obtained in the doctoral dissertation show that endogenous redox-active compounds were moderate or weak scavengers of ABTS and DPPH radicals, while in cellular setting, their impact on the reducing...
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Positron scattering on molecular hydrogen: Analysis of experimental and theoretical uncertainties
PublikacjaExperiments performed in recent years on positron scattering from molecular hydrogen indicated a rise of the total cross section in the limit of zero energy, but essentially disagree on the amplitude of this rise. Mitroy and collaborators [J.-Y. Zhang et al., Phys. Rev. Lett. 103, 223202 (2009)] predicted a scattering length somewhat different from values deduced experimentally. Using a Markov chain Monte Carlo modified effective...
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Molecular cloning and initial characterization of African green monkey (Cercopithecus aethiops) corticotropin releasing factor receptor type 1 (CRF1) from COS-7 cells
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Increased cytotoxicity of an unusual DNA topoisomerase II inhibitor compound C-1305 toward HeLa cells with downregulated PARP-1 activity results from re-activation of the p53 pathway and modulation of mitotic checkpoints
PublikacjaOur previous studies have shown that murine fibroblast cells, in which PARP-1 gene was inactivated by gene disruption, are extremely sensitive to triazoloacridone compound C-1305, an inhibitor of DNA topoisomerase II with unusual properties. Here, we show that pharmacological inhibition of PARP-1 activity by its inhibitor compound NU1025, sensitizes human cervical carcinoma HeLa cells to compound C-1305 compared to treatment with...
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Z cyklu: Cyrkulacje (1), akwarela
PublikacjaRada Miasta Krakowa oraz Prezydent Krakowa objęli honorowym patronatem XXIX Aukcję Wielkiego Serca (Internetową) na rzecz młodzieży niepełnosprawnej. Aukcja rozpoczęła się 16 listopada 2020 r.Czas pandemii spowodował, że aukcja po raz pierwszy w historii odbędzie się w formie internetowej na stronie artinfo.pl. Aukcja będzie trwała prawie dwa tygodnie. W tym roku organizatorom udało się nam pozyskać190 prac od znakomitych artystów....
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Electrochemical simulation of metabolism for antitumor-active imidazoacridinone C-1311 and in silico prediction of drug metabolic reactions
PublikacjaThe metabolism of antitumor-active 5-diethylaminoethylamino-8-hydroxyimidazoacridinone (C-1311) has been investigated widely over the last decade but some aspects of molecular mechanisms of its metabolic transformation are still not explained. In the current work, we have reported a direct and rapid analytical tool for better prediction of C-1311 metabolism which is based on electrochemistry (EC) coupled on-line with electrospray...
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CAD. Integrated Architectural Design BSc in Arch., sem 3 2022/2023
Kursy OnlineDuring the course students will learn how to use BIM (Building Information Modelling) tools to model the project site and to develop preliminary design concept.Students will work in pairs or groups, using Autodesk Revit software for terrain, site and building modelling.
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Electron scattering cross sections for 1-pentene, H2C=CH-(CH2)2CH3, molecules
PublikacjaCross sections, both experimental and theoretical, are reported for electron scattering from 1-pentene (C5H10) molecules. Absolute grand-total cross sections (TCSs) were measured at electron impact energies ranging from 1 to 300 eV, using a linear electron-transmission technique. The dominant behaviour of the experimental TCS energy function is a distinct asymmetric enhancement with the maximum located around 6.5 eV. Discernible...
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Design and computational fluid dynamics analysis of the last stage of innovative gas-steam turbine
PublikacjaResearch regarding blade design and analysis of flow has been attracting interest for over a century. Meanwhile new concepts and design approaches were created and improved. Advancements in information technologies allowed to introduce computational fluid dynamics and computational flow mechanics. Currently a combination of mentioned methods is used for the design of turbine blades. These methods enabled us to improve flow efficiency...
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Uncertainty Quantification in Experimental Structural Dynamics Identification of Composite Material Structures
PublikacjaComposite materials are widely used in manufacture of aerospace and wind energy structural components. These load carrying structures are subjected to dynamic time-varying loading conditions. Robust structural dynamics identification procedure impose tight constraints on the quality of modal models estimates obtained from vibration experiments. Modal testing results are influenced by numerous factors introducing uncertainty to...
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Combining Computational Fluid Dynamics with a Biokinetic Model for Predicting Ammonia and Phosphate Behavior in Aeration Tanks
PublikacjaThe aim of this study was to use computational fluid dynamics for predicting the behavior of reactive pollutants (ammonia and phosphate) in the aerobic zone of the bioreactor located at the Wschod wastewater treatment plant in Gdansk, Poland. The one-dimensional advection-dispersion equation was combined with simple biokinetic models incorporating the Monod-type expressions as source terms for the two pollutants. The problem was...
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Synthesis and Structure of Novel Copper(II) Complexes with N,O- or N,N-Donors as Radical Scavengers and a Functional Model of the Active Sites in Metalloenzymes
PublikacjaToevaluatetheantioxidantactivityofpotentialsyntheticenzymemimetics,wepreparednewfivecopper(II)complexesviaaself‐assemblymethodandnamedthem[Cu(2‐(HOCH2)py)3](ClO4)2(1),[Cu(2‐(HOCH2)py)2(H2O)2]SiF6(2),[Cu2(2‐(HOCH2CH2)py)2(2‐(OCH2CH2)py)2](ClO4)2(3),[Cu(pyBIm)3](BF4)2∙1.5H2O(4)and[Cu(py2C(OH)2)2](ClO4)2(5).ThesyntheticprotocolinvolvedN,O‐ orN,N‐donors:2‐(hydroxymethyl)pyridine(2‐(HOCH2)py),2‐(hydroxyethyl)pyridine(2‐(HOCH2CH2)py),2‐(2‐pyridyl)benzimidazole(pyBIm),di(2‐pyridyl)ke‐tone(py2CO).TheobtainedCu(II)complexeswerefullycharacterisedbyelementalanalysis,FTIR,EPR,UV‐Vis,single‐crystalX‐raydiffractionandHirshfeldsurfaceanalysis.Crystallographicandspectroscopicanalysesconfirmedchromophoresofbothmonomeric({CuN3O3}(1),{CuN2O4}(2),{CuN6}(4),{CuN4O2}(5))anddimericcomplex({CuN2O3}(3)).Mostoftheobtainedspeciespos‐sessedadistortedoctahedralenvironment,exceptdimer3,whichconsistedoftwocoppercentreswithsquarepyramidalgeometries.Thewater‐solublecompounds(1,3and5)wereselectedforbiologicaltesting.Theresultsofthestudyrevealedthatcomplex1insolutionsdisplayedbetterradicalscavengingactivitythancomplexes3,5andfreeligands.Therefore,complex1hasbeenselectedforfurtherstudiestotestitsactivityasanenzymemimetic.Thechosencompoundwastestedontheerythrocytelysateoftwogroupsofpatientsafterundergoingchemotherapyandchemoradiotherapy.Theeffectofthetestedcompound(1)onenzymeactivitylevels(TAS,SODandCAT)suggeststhattheselectedcomplexcanbetreatedasafunctionalmimeticoftheenzymes.
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Suppression of Supply Current Harmonics of 18-Pulse Diode Rectifier by Series Active Power Filter with LC Coupling
PublikacjaThe reported research aims at improving the quality of three-phase rectifier supply currents. An effective method consists of adding properly formed booster voltages to the fundamental supply voltages using a series active filter. In the proposed solution, the booster voltages are generated by three single-phase systems consisting of inverters, LC filters, and single-phase transformers. The application of LC couplings ensures low...
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Jacek Tejchman prof. dr hab. inż.
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3-phase medium frequency transformer for a 100kW 1.2kV 20kHz Dual Active Bridge converter
PublikacjaThe article presents a three-phase Medium Frequency Transformer being a part of a 100kW 1.2kV 20kHz Dual Active Bridge DC-DC converter. The transformer design is detailed focusing on winding and core power loss calculation. The high power three-phase MFT prototype is presented. The experimental results include the transformer impedance characteristics, no load test and three-phase DAB full load test waveforms
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Release of Encapsulated Bioactive Compounds from Active Packaging/Coating Materials and Its Modeling: A Systematic Review
PublikacjaThe issue of achieving controlled or targeted release of bioactive compounds with specific functional properties is a complex task that requires addressing several factors, including the type of bioactive, the nature of the delivery system, and the environmental conditions during transportation and storage. This paper deals with extensive reporting for the identification of original articles using Scopus and Google Scholar based...
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Novel chalcone-derived pyrazoles as potential therapeutic agents for the treatment of non-small cell lung cancer
PublikacjaLung cancer is considered to account for approximately one-fifth of all malignant tumor-related deaths worldwide and is therefore one of the most lethal malignancies. Pyrazole scaffold possesses a wide range of biological and pharmacological activities, which play important roles in medicinal chemistry. The present study reports the synthesis and in vitro biological characterization of nine pyrazoles derived from chalcones as potential...
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Rotation Triggers Nucleotide-Independent Conformational Transition of the Empty β Subunit of F1-ATPase
PublikacjaF1-ATPase (F1) is the catalytic portion of ATP synthase, a rotary motor protein that couples proton gradients to ATP synthesis. Driven by a proton flux, the F1 asymmetric γ subunit undergoes a stepwise rotation inside the α3β3 headpiece and causes the β subunits’ binding sites to cycle between states of different affinity for nucleotides. These concerted transitions drive the synthesis of ATP from ADP and phosphate. Here, we study...
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Measurement of sub-nanometer molecular layers with ISFET without a reference electrode dependency
PublikacjaA new method of detection and measurement with sub-nanometer resolution of layers adsorbed or bonded to the ISFET's gate dielectric was presented. The sensitivity of this method is high enough to detect even partial mono-layer covering. The transconductance measurement of the ISFET provides independence of the output signal from pH changes and the driving electrode electrochemical potential instabilities. The stable reference electrode...
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Szerokość rozwarcia rys w konstrukcjach żelbetowych według PN-EN 1992-1-1:2008 oraz PN-B 03264:2002
PublikacjaW referacie przedstawiono zalecenia normowe związane z ograniczeniem szerokości rozwarcia rys w konstrukcjach żelbetowych. Przeanalizowano wytyczne projektowe podane w PN-EN 1992-1-1:2008 [1] oraz PN-B 03264:2002 [2]. W przykładzie obliczeniowym dołączonym do referatu sprawdzono rozwarcie rys w płycie żelbetowej pod obciążeniem długotrwałym dla różnych wariantów: obliczeń elementu według założeń PN-EN 1992-1-1:2008 – m. in. z...
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Szerokość rozwarcia rys w konstrukcjach żelbetowych według PN-EN 1992-1-1:2008 oraz PN-B 03264:2002
PublikacjaW referacie przedstawiono zalecenia normowe związane z ograniczeniem szerokości rozwarcia rys w konstrukcjach żelbetowych. Przeanalizowano wytyczne projektowe podane w PN-EN 1992-1-1:2008 [1] oraz PN-B 03264:2002 [2]. W przykładzie obliczeniowym dołączonym do referatu sprawdzono rozwarcie rys w płycie żelbetowej pod obciążeniem długotrwałym dla różnych wariantów: obliczeń elementu według założeń PN-EN 1992-1-1:2008 – m. in. z...
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Esters of p-nitrophenol in synthesis of 1-N-monoamide and 1,7-bis-N,N-amide derivatives of 1,4,7,10-tetraazacyclododecane
PublikacjaW artykule opisana została synteza acylowych pochodnych 1,4,7,10-tetraazacyklododekanu przy pomocy estrów aktywnych. W bezpośredniej reakcji estrów 4-nitrofenylowych z cyklenem prowadzonej w bardzo łagodnych warunkach otrzymano pochodne mono i dipodstawienia z bardzo dobrymi wydajnościami. Zbadano również wpływ różnych parametrów na dystrybucję produktów.
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A novel approach to energy safety improvement in the marine power plants with active power surge compensator
PublikacjaPaper raises a point of power surges and theirs adverse effects in the marine power plants. The article explains a source of surges appearance, and presents measurements carried out on a modern ship. It discusses effects of dynamic power transients on the ship’s energy safety. Finally it proposes, a novel approach for power surge elimination, based on medium voltage active conditioner. As well as it propose the topology and control...
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Homocitrate synthase gene as a new molecular target in diagnostics of Candida spp. infections
PublikacjaNew potential molecular target which will be investigated during this research (homocitrate synthase gen) is the innovative target other than ribosomal DNA. This gene encodes enzyme present only in fungi and some Archaea what significantly increases specificity. It also reduces risk of contamination or influence of other factors (reaction with other DNA present in sample derived from bacteria or host cells) what excludes false...
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Numerical analyses of novel prefabricated structural wall panels in residential buildings based on laboratory tests in scale 1:1
PublikacjaThe paper presents experimental and numerical investigations on novel prefabricated composite building wall panels for residential building constructions. The wall panels were composed of reinforced concrete ribbed elements with the core from the EPS foam as the thermal insulation. The wall panels in the full-scale 1:1 were subjected to vertical loads. In the first step, the experiments were analysed with simple usual static methods....
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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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Identification of Substrates of Cytoplasmic Peptidyl-Prolyl Cis/Trans Isomerases and Their Collective Essentiality in Escherichia Coli
PublikacjaProtein folding often requires molecular chaperones and folding catalysts, such as peptidyl-prolyl cis/trans isomerases (PPIs). The Escherichia coli cytoplasm contains six well-known PPIs, although a requirement of their PPIase activity, the identity of their substrates and relative enzymatic contribution is unknown. Thus, strains lacking all periplasmic and one of the cytoplasmic PPIs were constructed. Measurement of their PPIase...
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A Convenient Synthesis of Monocationic 1-[(Cyclic amidino)methyl]thymines
Publikacja1-[(Cyclic amidino)methyl]thymines have been conveniently synthesized from thymine in a three-step procedure via 1-cyanomethyl- and 1-[(thiocarbamoyl) methyl]thymines. The above synthetic intermediates were obtained in good yields by improved methods.
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Takagi-Sugeno Fuzzy Model of Dissolved Oxygen Concentration Dynamics in a Bioreactor at WWTP
PublikacjaThe importance of dissolved oxygen concentration controlinaerationtanksofabioreactoratflow-throughwastewater treatment plant (WWTP) can easily be justified by technological requirements as well as simple economics. Firstly, appropriate levels of dissolved oxygen concentration are essential for the vitality of microorganisms that comprise the bioreactor. Secondly, the costs of dissolved oxygen concentration control related to the...
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Population-based case-control study of alpha 1-antitrypsin and SLC11A1 in Crohn's disease and ulcerative colitis.
PublikacjaBackground: Crohn’s disease (CD) and ulcerative colitis (UC) are chronic inflammatory diseases of the digestive tract. Genetic factors and an abnormal immune response to infections are suspected to be involved in inflammatory bowel diseases. Methods: In the present study 300 blood samples from CD patients (n 100), UC patients (n 100), and healthy controls (n 100) were taken from a population-based case-control study. PCR assays...
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Iterative learning approach to active noise control of highly autocorrelated signals with applications to machinery noise
PublikacjaThis paper discusses the design and application of iterative learning control (ILC) and repetitive control (RC) for high modal density systems. Typical examples of these systems are structural and acoustical systems considered in active structural acoustic control (ASAC) and active noise control (ANC) applications. The application of traditional ILC and RC design techniques, which are based on a parametric system model, on systems...
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Molecular Insight into the Self-Assembly Process of Cellulose Iβ Microfibril
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Numerical tests of time-stepping schemes in the context of FEM for 6-field shell dynamics
PublikacjaThe paper deals with integration of dynamic equations of irregular shells performed with relatively long time steps. Numerical instability appearing often in this kind of analysis motivated the authors to present some studies based on numerical tests referring to convergence problems of finite element analysis as well the applied stability conditions. The analysis is carried out on simulations of shell dynamics with the where the...