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Synthesis, Characterization and Biological Investigations of Half-Sandwich Ruthenium(II) Complexes Containing Benzimidazole Moiety
PublikacjaHalf-sandwich Ru(II) complexes belong to group of biologically active metallo-compounds with promising antimicrobial and anticancer activity. Herein, we report the synthesis and characteri- zation of arene ruthenium complexes containing benzimidazole moiety, namely, [(η6-p-cymene)RuC l(bimCOO)] (1) and [(η6-p-cymene)RuCl2(bim)] (2) (where bimCOO = benzimidazole-2-carboxylate and bim = 1-H-benzimidazole). The compounds were characterized...
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Synthesis, Structure, and Spectroscopic Properties of Calcium Thiophenecarboxylate Polymers. Structural Comparison with Analogous Lead Complexes
PublikacjaThree novel calcium coordination polymers [Ca(2tpCOO)2(2mpa)(H2O)]n (1), [Ca(3tpCOO)2(2mpa)(H2O)]n (2), and {[Ca(3tpacCOO)2(H2O)2]⋅⋅⋅H2O}n (3) (2tpCOO− or 3tpCOO− – thiophene-2- or thiophene-3-carboxylate, 3tpacCOO− – thiophene-3-acetate, 2mpa – 2-methylpropanal), were synthesised using a self-assembly method. The obtained polymers were characterised using SC-XRD, FTIR, UV-Vis DRS, thermogravimetric and luminescence analyses. The...
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New uranium(vi) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study
PublikacjaThe crystal structures of S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) diacetate (1_ac), S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) dichloride (1_Cl), 1_U complex, S,S′-naphthalene-1,4-diylbis(methylisothiouronium) dichloride (2_Cl), and 2_U complex were determined for the first time. The supramolecular structures of the compounds obtained are mainly based on hydrogen bonding and ionic interactions...
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Information Based Integration for Complex Systems
PublikacjaW rozdziale zaproponowano strukturę inteligentnego systemu wspomagania procesu integracji dla złożonych systemów wytwarzania. System wspomagania oparto na bazie wiedzy w której wiedza modelowana jest regułami produkcji. Zbudowano również iteracyjny algorytm integracji. Samą ideę integracji oparto na przepływach informacyjnych.
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ARUZ - Analyzer of Real Complex Systems
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Properties and interpretation of Instantaneous Complex Frequency
PublikacjaThe concept of Instantaneous Complex Frequency (ICF) was first defined by Lindon and developed mainly in works of two authors S. Hahn and M. Rojewski. Although it is not widely used in signal analysis, ICF was already used as a complex signal representation in the verification of handwritten signatures, pitch estimation, symbol timing recovery in PSK receiver and in detection of anomalies in data transmission. It should be noted,...
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A complete example of experience konowledge structure on XML
PublikacjaPrzedstawiono kompletny przykład reprezentacji struktury wiedzy w języku XML. Omówiono cztery podstawowe składniki tej reprezentacji: dane, funkcje, ograniczenia i zasady.
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A computer system for the complete design of ship propellers
PublikacjaPraca zawiera opis metody obliczeniowej pozwalającej na zaprojektowanie okrętowej śruby napędowej dla również obliczeniowo wyznaczonego niejednorodnego pola prędkości za kadłubem statku o znanej geometrii i parametrach ruchu. Metoda pozwala na właściwe ujęcie efektu skali i konsekwencji obecności płetwy sterowej za projektowaną śrubą.
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Rearrangeability in multicast Clos networks is NP-complete
PublikacjaPrzestrajalność w polach Closa z połączeniami jeden do jeden jest problemem wielomianowym. W pracy pokazano, że w polach z połączeniami jeden do wiele problem ten jest NP zupełny.Three-stage elos networks are commutation networks with circuit switching. So far, graph theory has been very useful tool for solving issues related to these networks with unicast connections. This is so because if elos network is represented as a bipartite...
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The unrestricted global effort to complete the COOL trial
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Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study
PublikacjaWe report the first series of homoleptic phosphido iron complexes synthesized by treating either the β-diketiminato complex [(Dippnacnac)FeCl2Li(dme)2] (Dippnacnac = HC[(CMe)N(C6H3-2,6-iPr2)]2) or [FeBr2(thf )2] with an excess of phosphides R2PLi (R = tBu, tBuPh, Cy, iPr). Reaction outcomes depend strongly on the bulkiness of the phosphido ligands. The use of tBu2PLi precursor led to an anionic diiron complex 1 encompassing a planar...
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The Quantum Efficiency Roll-Off Effect in Near-Infrared Organic Electroluminescent Devices with Iridium Complexes Emitters
PublikacjaThe electroluminescence quantum efficiency roll-off in iridium(III)-based complexes, namely Ir(iqbt)2(dpm) and Ir(iqbt)3(iqbt=1 (benzo[b]thiophen-2-yl)-isoquinolinate, dpm=2,2,6,6-tetramethyl-3,5-heptanedionate) utilized as near-infrared emitters in organic light emitting diodes with remarkable external quantum efficiencies, up to circa 3%, 1.5% and 1%, are measured and analyzed. With a 5–6 weight % of emitters embedded...
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Unraveling Energy Transfer and Fluorescence Quenching Dynamics in Biomolecular Complexes: A Comprehensive Study of Imiquimod-Rifampicin Interaction.
PublikacjaIn nature, numerous biomolecules are implicated in charge transfer (CT) and energy transfer (ET) mechanisms crucial for fundamental processes such as photosynthesis. Unveiling these mechanisms is pertinent to multiple disciplines including chemistry, engineering and biochemistry. This letter presents a study involving two molecules forming a model system with efficient ET properties. Specifically, their complex exhibits dark quenching...
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Catalytic activity and anion activation in SN2 reactions promoted by complexes of silicon polypodands. Comparison with traditional polyethers
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Photoactive Protochlorophyllide-Enzyme Complexes Reconstituted with PORA, PORB and PORC Proteins of A. thaliana: Fluorescence and Catalytic Properties
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Binding of anionic Pt(ii) complexes in a dedicated organic matrix: towards new binary crystalline composites
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Chiroptical methods in a wide wavelength range for obtaining Ln3+ complexes with circularly polarized luminescence of practical interest
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Electric-field-induced quenching of photoluminescence in photoconductive organic thin film structures based on Eu3+ complexes
PublikacjaW pracy badano elektrycznopolowe wygaszenie fotoluminescencji w organicznych kompleksach europu Eu(III) rozdyspergowanych w matrycy poliwęglan: dwuamina TPD. W układzie z elektrodami Al/Al obserwowano wygaszenie fotoluminescencji wywołane dysocjacją ekscytonów. W układzie z elektrodami ITO(+)/Au(-) oprócz dysocjacji ekscytonów obserwowano również silne wygaszenie ekscytonów na ładunku elektrycznym wstrzykniętym do próbki. Analiza...
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublikacjaThe synthesis and characterisation of new anionic iridium(II) complexes (NH4)2[IrCl4(κ2N,N’-H2biim)]2 · 5H2O (1) and ((CH3)2NH2)[IrCl4(κ2N,N’-PyBIm)] · H2O (2) are presented in this article. Spectroscopic methods (1H, 13C and 15N NMR, FTIR, UV-Vis) were used to characterize these new complexes. Solid-state structural analysis (SC-XRD) of complexes 1 and 2 shows a slightly distorted octahedral geometry of Ir(III) ions, which is...
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Electronic States of Tris(bipyridine) Ruthenium(II) Complexes in Neat Solid Films Investigated by Electroabsorption Spectroscopy
PublikacjaWe present the electric field-induced absorption (electroabsorption, EA) spectra of the solid neat films of tris(bipyridine) Ru(II) complexes, which were recently functionalized in our group as photosensitizers in dye-sensitized solar cells, and we compare them with the results obtained for an archetypal [Ru(bpy)3]2+ ion (RBY). We argue that it is difficult to establish a unique set of molecular parameter values by discrete parametrization...
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Sulfonamides with hydroxyphenyl moiety: Synthesis, structure, physicochemical properties, and ability to form complexes with Rh(III) ion
PublikacjaSulfonamides are the first successfully synthesized antimicrobial drugs. The mechanism of sulfonamides’ antimicrobial action involves competitive inhibition of folic acid synthesis and prevention of the growth and reproduction of bacteria. Even though they have been applied in therapy for more than 75 years, sulfonamides are still the drugs of choice for the treatment of various diseases. The aim of this work was to synthesize...
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Single-Step Symmetrical Double Alkylation of β,γ-Unsaturated δ-Lactams via Magnesium ‘Ate’ Complexes
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Investigations of ternary complexes of Co(II) and Ni(II) with oxydiacetate anion and 1,10-phenanthroline or 2,2′-bipyridine in solutions
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Construction of heterometallic and mixed-valence copper(I/II) chloride π-complexes with 1,2,4-triazole allyl-derivative
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Biomimetic zinc(II) and cobalt(II) complexes with tri-tert-butoxysilanethiolate and imidazole ligands – Structural and spectroscopic studies
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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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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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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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Extension of the Unres Package for Physics-Based Coarse-Grained Simulations of Proteins and Protein Complexes to Very Large Systems
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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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Biomimetic zinc(II) and cobalt(II) complexes with tri-tert-butoxysilanethiolate and imidazole ligands - structural and spectroscopic studies.
PublikacjaNowe 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
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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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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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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Analysis of the complete genome sequence of the lactococcal bacteriophage bIBB29
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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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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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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
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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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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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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TRAM PRIORITY TRAFFIC CONTROL ON COMPLEX INTERSECTIONS
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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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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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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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Complex human computer interface for las patient
PublikacjaW pracy zaprezentowano system umożliwiający komunikację osobie sparaliżowanej z komputerem przy pomocy wzroku.
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Molecular Modelling of the Neurophysin II/Vasopressin Complex
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