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Search results for: ruthenium complexes
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Biomimetic zinc(II) and cobalt(II) complexes with tri-tert-butoxysilanethiolate and imidazole ligands - structural and spectroscopic studies.
PublicationNowe heteroleptyczne kompleksy tri-tert-butoksysilanotiolanowe Zn(II) i Co(II) z dodatkowymi ligandami imidazolowymi zostały scharakteryzowane strukturalnie i spektralnie. Otrzymano kompleksy o różnych centrach koordynacji w zależności od ligandów imidazolowych. Dla jonów Co(II)otrzymano kompleksy o rdzeniach: NOS2 (z cząsteczką metanolu jako O-donorowy ligand) w związku 2', NO2S2 w 2'', N2S2 w 1, zaś w przypadku jonów Zn(II):...
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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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The acid strength of the datively bound complexes involving AlF3 lone pair acceptor and various lone pair donors
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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
PublicationZinc 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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Synthetic, Structural, and Spectroscopic Characterization of a Novel Family of High-Spin Iron(II) [(β-Diketiminate)(phosphanylphosphido)] Complexes
PublicationThis 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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Induction of immune responses in sheep by vaccination with liposome-entrapped DNA complexes encoding Toxoplasma gondii MIC3 gene
PublicationToxoplasma 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.
PublicationSeveral 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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Tight bounds on global edge and complete alliances in trees
PublicationIn 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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The maximum edge-disjoint paths problem in complete graphs
PublicationRozważono 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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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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Scheduling with Complete Multipartite Incompatibility Graph on Parallel Machines
PublicationIn 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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Ipertrofan Revisited—The Proposal of the Complete Stereochemistry of Mepartricin A and B
PublicationBeing 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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Ramsey numbers for triangles versus almost-complete graphs.
PublicationPokazano, 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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A fractionally delaying complex Hilbert transform filter
PublicationPrzedstawiono 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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Experimental generation of complex noisy photonic entanglement
PublicationWe 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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Complex human computer interface for las patient
PublicationW pracy zaprezentowano system umożliwiający komunikację osobie sparaliżowanej z komputerem przy pomocy wzroku.
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Instantaneous complex frequency for pipeline pitch estimation
PublicationIn 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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N-point estimators of the Instantaneous Complex Frequency
PublicationIn 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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Complex multidisciplinary optimization of turbine blading systems
PublicationThe 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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Soft modelling aspects of complex IT systems development.
PublicationZaproponowano 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.
PublicationW 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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Non-thermal atmospheric pressure plasma as a powerful tool for the synthesis of rhenium-based nanostructures for the catalytic hydrogenation of 4-nitrophenol
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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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Electromodulation of monomer and excimer phosphorescence in vacuum-evaporated films of platinum (II) complexes of 1,3-di(2-pyridyl)benzenes
PublicationElectric 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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Interaction of cisplatin and two potential antitumoral platinum(ii) complexes with a model lipid membrane: a combined NMR and MD study
PublicationIn 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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Optical properties of Eu(III) and Tb(III) complexes with pyridine- and quinoline- based ligands under high hydrostatic pressure
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Structural analysis and physico-chemical characterization of mononuclear manganese(II) and polynuclear copper(II) complexes with pyridine-based alcohol
PublicationTwo 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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Explicit solvent repulsive scaling replica exchange molecular dynamics ( RS‐REMD ) in molecular modeling of protein‐glycosaminoglycan complexes
PublicationGlycosaminoglcyans (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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Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N'-bis(2-pyridyl)aryldiamines
PublicationOtrzymano 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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Reactions of the Lithiated DiphosphinetBu2P-P(SiMe3)Li with [(η6-C6H6)RuCl2]2in the Presence of Tertiary Phosphines
PublicationtBu2P–P(SiMe3)Li reacted with [(η6-C6H6)RuCl2]2at–40 °C in the presence of PR3(PR3=PEt3,PEt2Ph, PEtPh2) by the nucleophilic addition of the tBu2P–P(SiMe3) moiety to the benzene ring to yield solely the complexes [(R3P)2Ru(Cl)-{η5-C6H6(Me3SiP–PtBu2)}] (1). These products decomposed slowly at ambient temperature to yield benzene, Ru clusters, and small amounts of the dinuclear ruthenium complexes [{(R3P)2Ru}2(μ,η2:2-P2)2Ru(PR3)2](Ru–Ru)(6)....
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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)].
PublicationPodano 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.
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Emotion Recognition - the need for a complete analysis of the phenomenon of expression formation
PublicationThis article shows how complex emotions are. This has been proven by the analysis of the changes that occur on the face. The authors present the problem of image analysis for the purpose of identifying emotions. In addition, they point out the importance of recording the phenomenon of the development of emotions on the human face with the use of high-speed cameras, which allows the detection of micro expression. The work that was...
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Approximation strategies for routing edge disjoint paths in complete graphs
PublicationPraca dotyczy problemu ścieżek krawędziowo rozłącznych w nieskierowanych grafach pełnych, dla którego podano nowe algorytmy przybliżone: 3.75-przybliżony (model off-line) i 6.47-przybliżony (model on-line). Stosując podobną metodologię, uzyskano algorytm 4.5-przybliżony (off-line) i 6-przybliżony (on-line) dla problemu routingu i kolorowania ścieżek w grafach pełnych.
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A Complete Design of Ducted Propellers Using the New Computer System
PublicationArtykuł przedstawia nowy system komputerowy do projektowania okrętowych układów napędowych dysza-śruba. Obliczenia oparte są na teorii linii nośnej, teorii powierzchni nośnej oraz na wynikach oryginalnych badań eksperymentalnych. System umożliwia optymalizację ukadu dysza-śruba z punktu widzenia maksymalnej sprawności napędowej, wytrzymałości, charakterystyk kawitacyjnych i poziomu wymuszeń niestacjonarnych. Przykład obliczeniowy...
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A Complete Design of Ship Propellers Using the New Computer System
PublicationArtykuł przedstawia nowy system komputerowy do projektowania śrub okrętowych. Obliczenia oparte są na teorii linii nośnej i teorii powierzchni nośnej. System umożliwia wielokryterialną optymalizację projektu z punktu widzenia sprawności napędowej, własności kawitacyjnych, wytrzymałości skrzydeł oraz poziomu generowanych wymuszeń niestacjonarnych.
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On incidence coloring of coloring of complete multipartite and semicubic bipartite graphs
PublicationIn the paper, we show that the incidence chromatic number of a complete k-partite graph is at most ∆+2 (i.e., proving the incidence coloring conjecture for these graphs) and it is equal to ∆+1 if and only if the smallest part has only one vertex.
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A complete impedance analysis of electrochemical cells used as energy sources
PublicationA comprehensive description of impedance ofelectrochemical systems has been presented, along withthe assumptions of the method used. In this method, amultisinusoidal current excitation signal is used. Thechanges of potential of both the electrodes and thepotential difference between these electrodes are allregistered simultaneously as a function of time. Theproposed method offers the possibility of separatelydetermining the instantaneous...
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Complex Predictive Solution for Computerized Processes in Tire Industry
PublicationFollowing increasing market needs of productivity, cost reduction and safety requirements, computerized industry are faced to finding optimum between economic aspects of business and safety-related risk management. Modern factories equipped with computerized processes and extended diagnostic tools to support operator do not often use of all information’s which comes from the equipment. Some of the relations between the events are...
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Role of public space in designing complex urban structures
PublicationThe aim of this article is to present the main assumptions about design studios as held in the Faculty of Architecture at Gdańsk University of Technology (FA-GUT), Gdańsk, Poland, adapted to the development of key competencies in the urban planning of complex urban structures. One of these competencies is the design of public spaces. The main goal of the studios was to deliver knowledge of the role of public spaces in the design...
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On the use of instantaneous complex frequency for pitch and formant tracking.
PublicationW pracy opisano algorytm śledzenia częstotliwości podstawowej i formantów mowy z wykorzystaniem zespolonej pulsacji chwilowej. Działanie algorytmu przetestowano na nagraniach polskich samogłosek, których wysokość zmieniała się płynnie. Wyniki testów wraz z porównaniem działania opisanej metody i metody predykcji liniowej zawarto w artykule.
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Charge orderings and lattice distortions in complex TCNQ salts
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A complex variable fractional-delay FIR filter structure
PublicationW artykule wprowadzamy strukturę zespolonego filtru o skończonej odpowiedzi impulsowej (ang. finite impulse response - FIR) ze zmiennym opóźnieniem ułamkowym (ang. fractional delay - FD). Strukturę tę otrzymujemy na podstawie przestrajanego filtru FD FIR o współczynnikach rzeczywistych. Stanowi ona połączenie zbioru liniowo-fazowych filtrów FIR o współczynnikach stałych rzeczywistych i dwóch łańcuchów mnożąco-akumulujących, zawierających...
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Human voice modification using instantaneous complex frequency
PublicationThe paper presents the possibilities of changing human voice by modifying instantaneous complex frequency (ICF) of the speech signal. The proposed method provides a flexible way of altering voice without the necessity of finding fundamental frequency and formants' positions or detecting voiced and unvoiced fragments of speech. The algorithm is simple and fast. Apart from ICF it uses signal factorization into two factors: one fully...
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A Framework for Training and Testing of Complex Pattern Recognition Systems
PublicationW pracy przedstawiono szkielet aplikacji stworzony po to, by uprościć konstruowanie systemów rozpoznawania obrazów oraz zapewnić środowisko testowe umożliwiające ocenę algorytmów przy użyciu dużych zestawów danych. Jasno zdefiniowana architektura wraz z wieloma gotowymi do użycia modułami pozwala skoncentrować się na implementacji najważniejszych algorytmów. Szkielet wspiera tworzenie modułów, który mogą być wielokrotnie używane,...