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Wyniki wyszukiwania dla: BINUCLEAR COMPLEXES
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Broad-Range Spectral Analysis for Chiral Metal Coordination Compounds: (Chiro)optical Superspectrum of Cobalt(II) Complexes
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Practical Method for the Absolute Configuration Assignment of tert/tert 1,2-Diols Using Their Complexes with Mo2(OAc)4
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Extension of the Unres Package for Physics-Based Coarse-Grained Simulations of Proteins and Protein Complexes to Very Large Systems
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The acid strength of the datively bound complexes involving AlF3 lone pair acceptor and various lone pair donors
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Synthetic, Structural, and Spectroscopic Characterization of a Novel Family of High-Spin Iron(II) [(β-Diketiminate)(phosphanylphosphido)] Complexes
PublikacjaThis work describes a series of iron(II) phosphanylphosphido complexes. These compounds were obtained by reacting lithiated diphosphanes R2PP(SiMe3)Li (R = t-Bu, i-Pr) with an iron(II) β-diketiminate complex, [LFe(μ2-Cl)2Li(DME)2] (1), where DME = 1,2-dimethoxyethane and L = Dippnacnac (β-diketiminate). While the reaction of 1 with t-Bu2PP(SiMe3)Li yields [LFe(η1-Me3SiPPt- Bu2)] (2), that of 1 with equimolar amounts of i-Pr2PP(SiMe3)Li,...
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Striving for spatial energy efficiency in dwelling complexes. Kształtowanie przestrzennej efektywności energetycznej w zespołach zabudowy mieszkaniowej.
PublikacjaThe main aim of this article was to discover the key characteristics in shaping most rewarded eco- district complexes built respectively in temperate climate zone in respect to spatial energy efficiency and resilience principles. It was done through careful case studies, comparative analysis and juxtaposition of critical parameters related to spatial energy efficiency and resilience in chosen representative dwelling complexes....
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Reaction of methanol ligated manganese(II) silanethiolate with pyridine related ligands - different structures of complexes with MnNO2S2 kernel
PublikacjaReakcja silanotiolanu manganu(II) z pirydyną i jej metylowymi pochodnymi prowadzi do uzyskania heteroleptycznych kompleksów o tym samym rdzeniu MnNO2S2, ale o różnym typie strukturalnym. W przypadku posłużenia się pirydyną i 2-metylopirydyną uzyskano układy zawierające dwie cząsteczki alkoholu przykoordynowane do centrum metalicznego. Z kolei w przypadku 3- i 4-metylopirydyny funkcję S,O-donorów spełniają reszty silanotiolanowe.
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Induction of immune responses in sheep by vaccination with liposome-entrapped DNA complexes encoding Toxoplasma gondii MIC3 gene
PublikacjaToxoplasma gondii is a parasite that has been extensively studied due to its medical and veterinary importance in terminating pregnancies. Consequently, a satisfactory vaccine is required to control itsadverse effects on pregnant animals. The microneme protein, MIC3, is a major adhesion protein that binds to the surface of host cells and parasites, and is therefore a potential vaccine against T. gondii.The viability of MIC3 as...
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Influence of temperature and interactions with ligands on dissociation of dsDNA and ligand-dsDNA complexes of various types of binding : an electrochemical study.
PublikacjaSeveral medicinally important compounds that bind to dsDNA strands via intercalation (C-1311, C-1305, EtBr), major groove binding (Hoechst 33258) and covalent binding (cis-Pt) were examined. The obtained results suggest that both the transfer of conformation B to C and the denaturation process, for the ligand-dsDNA complexes, except for covalently bound cis-Pt, took place at higher temperatures compared to the unbound helix. Furthermore,...
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Copper(II) complexes of 7-amino-2-methylchromone and 7-aminoflavone: Magneto-structural, spectroscopic and DFT characterization
PublikacjaFour new complexes of copper(II) consisting of two different chromone derivatives with carbonyl and amine donor atoms: 7-aminoflavone (L1) and 7-amino-2-methylchromone (L2), were synthesized and characterized by X-ray diffraction, UV–Vis, FT-IR, EPR spectroscopy, MS and elemental analysis. In all four compounds, the chromone derivatives were found to act as monodentate O- or N-ligands. The structural characteristics of 1a and...
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Comparison of the coordination geometries of Zn(II) and Cd(II) ions in complexes with water, methanol and bulky aryloxysilanethiolate ligands
PublikacjaZinc and cadmium complexes containing silanethiolate anions and methanol or water were synthesized and characterized by X-ray diffraction, FT-IR and NMR spectroscopy, and DFT calculations. Contrary to zinc, the cadmium ion utilizes very weak donors to complete its coordination sphere; it forms contacts to phenyl rings of the silanethiolate ligand. Two zinc analogs of the general formula [Zn{SSi(OAr)3}2(L)2] where L = CH3OH (2)...
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Analysis of the complete genome sequence of the lactococcal bacteriophage bIBB29
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The inflence of TiO2 structure on the complete decomposition of acetaldehyde gas
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Ipertrofan Revisited—The Proposal of the Complete Stereochemistry of Mepartricin A and B
PublikacjaBeing a methyl ester of partricin, the mepartricin complex is the active substance of a drug called Ipertrofan (Tricandil), which was proven to be useful in treatment of benign prostatic hyperplasia and chronic nonbacterial prostatitis/chronic pelvic pain syndrome. Nevertheless, no direct structural evidence on the stereochemistry of its components has been presented to date. In this contribution, we have conducted detailed, NMR-driven...
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The maximum edge-disjoint paths problem in complete graphs
PublikacjaRozważono problem ścieżek krawędziowo rozłącznych w grafach pełnych. Zaproponowano wielomianowe algorytmy: 3.75-przybliżony (off-line) oraz 6.47-przybliżony (on-line), poprawiając tym samym wyniki wcześniej znane z literatury [P. Carmi, T. Erlebach, Y. Okamoto, Greedy edge-disjoint paths in complete graphs, in: Proc. 29th Workshop on Graph Theoretic Concepts in Computer Science, in: LNCS, vol. 2880, 2003, pp. 143-155]. Ponadto...
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Scheduling with Complete Multipartite Incompatibility Graph on Parallel Machines
PublikacjaIn this paper we consider a problem of job scheduling on parallel machines with a presence of incompatibilities between jobs. The incompatibility relation can be modeled as a complete multipartite graph in which each edge denotes a pair of jobs that cannot be scheduled on the same machine. Our research stems from the works of Bodlaender, Jansen, and Woeginger (1994) and Bodlaender and Jansen (1993). In particular, we pursue the...
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Tight bounds on global edge and complete alliances in trees
PublikacjaIn the talk the authors present some tight upper bounds on global edge alliance number and global complete alliance number of trees. Moreover, we present our NP-completeness results from [8] for global edge alliances and global complete alliances on subcubic bipartite graphs without pendant vertices. We discuss also polynomial time exact algorithms for finding the minimum global edge alliance on trees [7] and complete alliance...
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Ramsey numbers for triangles versus almost-complete graphs.
PublikacjaPokazano, że w każdym krawędziowym pokolorowaniu dwoma kolorami grafu pełnego o 38 wierzchołkach występuje trójkąt w pierwszym kolorze lub podgraf izomorficzny z K_10 - e w drugim kolorze. Stąd otrzymujemy górne oszacowanie R(K_3, K_10 - e) <= 38. Przedstawiamy także pokolorowanie krawędziowe grafu K_36, którego istnienie dowodzi, że R(K_3, K_10 - e) >= 37.
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Complex human computer interface for las patient
PublikacjaW pracy zaprezentowano system umożliwiający komunikację osobie sparaliżowanej z komputerem przy pomocy wzroku.
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A fractionally delaying complex Hilbert transform filter
PublikacjaPrzedstawiono nowy, dyskretno-czasowy, ułamkowo-opóźniający (FD od ang. fractional delayor), zespolony filtr Hilberta (HTF od ang. Hilbert transform filter) nazwany FDHTF. Filtr ten jest oparty na parze obróconych filtrów o zmiennym opóźnieniu ułamkowym (VFD od ang. variable fractional delayor). Za pomocą filtru FDHTF realizuje się jednocześnie filtrację Hilberta i wprowadzanie ułamkowego opóźnienia do przetwarzanego sygnału. Dzięki...
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Molecular Modelling of the Neurophysin II/Vasopressin Complex
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Instantaneous complex frequency for pipeline pitch estimation
PublikacjaIn the paper a pipeline algorithm for estimating the pitch of speech signal is proposed. The algorithm uses instantaneous complex frequencies estimated for four waveforms obtained by filtering the original speech signal through four bandpass complex Hilbert filters. The imaginary parts of ICFs from each channel give four candidates for pitch estimates. The decision regarding the final estimate is made based on the real parts of...
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Complex multidisciplinary optimization of turbine blading systems
PublikacjaThe paper describes the methods and results of direct optimization of turbine blading systems using a software package Opti_turb. The final shape of the blading is obtained from minimizing the objective function, which is the total energy loss of the stage, including the leaving energy. The current values of the objective function are found from 3D RANS computations (from a code FlowER) of geometries changed during the process...
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Experimental generation of complex noisy photonic entanglement
PublikacjaWe present an experimental scheme based on spontaneous parametric down-conversion to produce multiple-photon pairs in maximally entangled polarization states using an arrangement of two type-I nonlinear crystals. By introducing correlated polarization noise in the paths of the generated photons we prepare mixed-entangled states whose properties illustrate fundamental results obtained recently in quantum information theory, in particular those...
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N-point estimators of the Instantaneous Complex Frequency
PublikacjaIn this paper estimators of the instantaneous complex frequency (ICF) are presented and discussed. The differential approach for the estimation of the ICF is used, therefore the estimators are based on maximally flat N-point FIR filters: differential and delay. The investigation of the filter performance includes static characteristics of ICF estimation and the error of the ICF estimation in the discrete frequency domain.W pracy...
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Soft modelling aspects of complex IT systems development.
PublikacjaZaproponowano metodykę opartą na teorii zbiorów rozmytych do zakresu wspomagania decyzji na etapie budowy złożonych systemów z obszaru information technology (IT). Omówiono wszystkie elementy proponowanego podejścia. Przedstawiona architektura ma zastosowanie głównie do zarządzania projektami IT na etapie ich powstawania.
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Discussion of Modelling Perspectives for Complex Economic Systems.
PublikacjaW artykule opisano rolę modelowania w ekonomicznych systemach złożonych w kontekście trzech funkcji naukowych: opisu, wyjaśniania i przewidywania. Fazy dekompozycji i opisu jakościowego modelowanych systemów, w tym ekonomicznych, są nieodzowne w całym procesie.
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Influence of Primary Ligands (ODA, TDA) on Physicochemical and Biological Properties of Oxidovanadium (IV) Complexes with Bipy and Phen as Auxiliary Ligands
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Investigations of ternary complexes of Co(II) and Ni(II) with thiodiacetate anion and 1,10-phenanthroline or 2,2’-bipyridine in aqueous solutions
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Physicochemical profile of Os (III) complexes with pyrazine derivatives: From solution behavior to DNA binding studies and biological assay
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Optical properties of Eu(III) and Tb(III) complexes with pyridine- and quinoline- based ligands under high hydrostatic pressure
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Explicit solvent repulsive scaling replica exchange molecular dynamics ( RS‐REMD ) in molecular modeling of protein‐glycosaminoglycan complexes
PublikacjaGlycosaminoglcyans (GAGs), linear anionic periodic polysaccharides, are crucial for many biologically relevant functions in the extracellular matrix. By interacting with proteins GAGs mediate processes such as cancer development, cell proliferation and the onset of neurodegenerative diseases. Despite this eminent importance of GAGs, they still represent a limited focus for the computational community in comparison to other classes...
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Interaction of cisplatin and two potential antitumoral platinum(ii) complexes with a model lipid membrane: a combined NMR and MD study
PublikacjaIn this study, the interaction of cisplatin (1) and two potential antitumoral Pt(II) complexes (2 and 3) with a model DMPC bilayer was investigated by multinuclear NMR spectroscopy and MD simulations in order to understand its implication for the different antitumoral properties shown by the three complexes. In particular, 31P, 13C and 2H solid state NMR experiments were performed to obtain information on the phase structure, phase...
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Electromodulation of monomer and excimer phosphorescence in vacuum-evaporated films of platinum (II) complexes of 1,3-di(2-pyridyl)benzenes
PublikacjaElectric field-modulated photoluminescence (EML) measurements are presented for vacuum-evaporated films of cyclometallated Pt (II) complexes of 1,3-di(2-pyridyl) benzenes used as triplet emitters in organic light-emitting diodes (OLEDs). The excimer phosphorescence is quenched by the external electric field of 2.5 MV/cm up to 25% but the same effect on monomer phosphorescence is one order of magnitude smaller. The higher quenching...
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Structural analysis and physico-chemical characterization of mononuclear manganese(II) and polynuclear copper(II) complexes with pyridine-based alcohol
PublikacjaTwo novel manganese(II) and copper(II) complexes, mononuclear [Mn(H2O)2(2-(CH2)2OHpy)2](NO3)2 (1) and polynuclear [Cu(SO4)(2-(CH2)2OHpy)2]n (2), based on 2-(hydroxyethyl)pyridine (2-(CH2)2OHpy) were synthesised and fully characterised using X-ray structure analysis as well as spectroscopic, magnetic and thermal methods. Both central metal ions Mn(1) and Cu(1) are coordinated by two N,O-donor 2-(CH2)2OHpy ligands and possess an...
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Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N'-bis(2-pyridyl)aryldiamines
PublikacjaOtrzymano pięć krystalicznych kompleksów fenazyny z N,N'-bis(2-pirydylo)arylodiaminami i N'N'-difenylo-1,4-diamino-benzenem o różnej stechiometrii. Badania struktur tych kompleksów za pomocą metod rentgenograficznych wykazały, że powiązane wiązaniami wodorowymi typu NH...N cząsteczki fenazyny i arylodiamin układają się w stosy, które stabilizowane są poprzez oddziaływaniami typu π-π płaszczyzna-krawędź pierścieni aromatycznych....
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Different Patterns of mRNA Nuclear Retention during Meiotic Prophase in Larch Microsporocytes
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Time Projection Chamber (TPC) detectors for nuclear astrophysics studies with gamma beams
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Cytoplasmic and nuclear maturation of oocytes in mammals – living in the shadow of cells developmental capability
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Electronic and nuclear properties from the analysis of the isotope shifts in the spectral lines of lead
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Altered levels of circulating nuclear and mitochondrial DNA in patients with Papillary Thyroid Cancer
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The QDMC Model Predictive Controller for the Nuclear Power Plant Steam Turbine Control
PublikacjaThere are typically two main control loops with PI con trollers operating at each turbo-generator set. In this paper a model predictive controller QDMC for the steam turbine is proposed - instead of a typical PI controller. The QDMC controller utilize a step-response model for the controlled system. This model parameters are determined, based on the simplified and linear model of turbo-generator set, which parameters are identified...
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The distributed model predictive controller for the nuclear power plant turbo-generator set
PublikacjaTypically there are two main control loops with PI controllers operating at each turbo-generator set. In this paper a distributed model predictive controller DMPC, with local QDMC controllers for the turbine generator, is proposed instead of a typical PI controllers. The local QDMC controllers utilize step-response models for the controlled system components. These models parameters are determined based on the proposed black-box...
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Fuzzy Multi-Regional Fractional PID controller for Pressurized Water nuclear Reactor
PublikacjaThe paper presents the methodology for the synthesis of a Fuzzy Multi-Regional Fractional Order PID controller (FMR-FOPID) used to control the average thermal power of a PWR nuclear reactor in the load following mode. The controller utilizes a set of FOPID controllers and the fuzzy logic Takagi-Sugeno reasoning system. The proposed methodology is based on two optimization parts. The first part is devoted to finding the optimal...
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Numerical solution analysis of fractional point kinetics and heat exchange in nuclear reactor
PublikacjaThe paper presents the neutron point kinetics and heat exchange models for the nuclear reactor. The models consist of a nonlinear system of fractional ordinary differential and algebraic equations. Two numerical algorithms are used to solve them. The first algorithm is application of discrete Grünwald-Letnikov definition of the fractional derivative in the model. The second involves building an analog scheme in the FOMCON Toolbox...
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Nuclear Power Plant Steam Turbine - Modeling for Model Based Control Purposes
PublikacjaThe nature of the processes taking place in a nuclear power plant (NPP) steam turbine is the reason why their modeling is very difficult, especially when the model is intended to be used for on-line optimal model based process control over a wide range of operating conditions, caused by changing electrical power demand e.g. when combined heat and power mode of work is utilized. The paper presents three nonlinear models of NPP steam...
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Defence in depth conception in nuclear power plants and requirements for instrumentation and control systems
PublikacjaThe aim of this article is to identify and discuss some issues of the safety systems’ design for nuclear power plants equipped with the light water reactors using a defence in depth (D-in-D) conception. Because the functional safety solutions play nowadays an important role for the risk control, the basic requirements for the instrumentation and control systems are specified with regard to relevant international standards. For...
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Pipeline System for Heat Transportation from Nuclear Power Plant – an Optimizing Approach
PublikacjaOver the last few years heat piping insulation technology and pump systems efficiency have been significantly improved. Reduced thermal losses encourage heat transportation over long distances. It provides an opportunity for increasing thermodynamic efficiency of Nuclear Power Plants (NPPs) that are often located in rural areas because of safety issues. It can be achieved by Combined Heat and Power (CHP) generation, as heat produced...
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Molecular dynamics simulation of human neurohypophyseal hormone receptors complexed with oxytocin—modeling of an activated state
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A new synthetic entry to phosphinophosphinidene complexes. Synthesis and structural characterisation of the first side-on bonded and the first terminally bonded phosphinophosphinidene zirconium complexes[mu-(1,2:2-eta-tBu2PLP){Zr(Cl)Cp2}2] and [{Zr(PPhMe2)Cp2}(eta^1^-P-P-tBu2)].
PublikacjaPodano nową metodę syntezy kompleksów fosfinofosfinidenowych polegającą na reakcji dichlorku cyrkonocenu z solą litową difosfanu t-Bu2P-P(SiMe3)Li. Otrzymano pierwsze kompleksy fosfanofosfinidenowe cyrkonu z ligandem związanym w sposób boczny i ligandem związanym terminalnie.