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Search results for: WERNER COMPLEXES
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Assestment of the anti-cancer activity of the copper complexes with imidazole and pivalato ligands
PublicationDespite the development of science and technology progress so far there have not been found effective drugs for cancer. Many coordination compounds were investigated due to their antitumor potential. The most known cis-diamminedichloroplatinum(II) is used as anti-cancer therapeutic agent. The copper complexes are the coordination compounds possessing anti-tumour properties. Their capability to kill cancer cells is mainly linked...
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Thermal properties of rare earth elements complexes with 1,3,5-benzenetricarboxylic acid
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Some properties of Nd and Er complexes with 1,2,3,4,5,6-benzenehexacarboxylic (mellitic) acid
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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublicationAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
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Dissociative multi-photon ionization of isolated uracil and uracil-adenine complexes
PublicationRecent multi-photon ionization (MPI) experiments on uracil revealed a fragment ion at m/z 84 that was proposed as a potential marker for ring opening in the electronically excited neutral molecule. The present MPI measurements on deuterated uracil identify the fragment as C3H4N2O+ (uracil+ less CO), a plausible dissociative ionization product from the theoretically predicted open-ring isomer. Equivalent measurements on thymine...
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Silver(I) complexes with nitrile ligands: New materials with versatile applications
PublicationIn the present study, the structure, thermal stability, conductive properties, and antimicrobial activity of silver(I) complexes with nitrile ligands were investigated. For the construction of the materials, 2-cyanopyridine (2-cpy), 4-cyanopyridine (4-cpy), 1,2-dicyanobenzene (1,2-dcb), and 1,3-dicyanobenzene (1,3-dcb) were used in addition to the silver nitrite and nitrate. Four new compounds were isolated and structurally characterized:...
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Anticancer Study on IrIII and RhIII Half-Sandwich Complexes with the Bipyridylsulfonamide Ligand
PublicationTwo non-platinum compounds, organometallic half-sandwich complexes [(η 5 -Cp)IrCl(L)]PF 6 (1) and [(η 5 -Cp)RhCl(L)]PF 6 (2) were prepared by treating pentamethylcyclopentadienyl chloride dimers of iridium(III) or rhodium(III) with the obtained 4-amino-N-(2,2'-bipyridin-5- yl)benzenesulfonamide ligand (L) and ammonium hexafluorophosphate. The crystal structures of ligand (L) and complexes 1 and 2 were obtained and then analyzed. Coordination...
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Study of the anticancer potential of Cd complexes of selenazoyl-hydrazones and their sulfur isosters
PublicationThe biological activity of Cd compounds has been investigated scarce since Cd has been recognized as a human carcinogen. However, the toxicity of cadmium is comparable to the toxicity of noble metals such as Pt and Pd. The paradigm of metal toxicity has been challenged suggesting that metal toxicity is not a constant property, yet it depends on many factors like the presence of appropriate ligands. Studies on anticancer activity...
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Impact of AlphaFold on structure prediction of protein complexes: The CASP15‐CAPRI experiment
PublicationWe present the results for CAPRI Round 54, the 5th joint CASP-CAPRI protein assembly prediction challenge. The Round offered 37 targets, including 14 homodimers, 3 homo-trimers, 13 heterodimers including 3 antibody–antigen complexes, and 7 large assemblies. On average 70 CASP and CAPRI predictor groups, including more than 20 automatics servers, submitted models for each target. A total of 21 941 models submitted by these groups...
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Surpassing the Line: Urban-Oriented Strategies in the Development of Business Complexes in Poland
PublicationDevelopment trends regarding the business-related urban complexes seem to evolve from the “big-box” towards the more “multi-use” types of structures. Within it, the special role is reserved for places, which—due to economic, political, and geographical reasons—have not been previously considered as major business hubs. Only recently, places like cities in Central and Eastern Europe have become attractive locations for business...
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Manganese(II) tri-tert-butoxysilanethiolate complexes with imidazole based coligands. A neutral complex with four independent ligands and MNOS2 core (M=Mn) related to the liver alcohol dehydrogenase catalytic center (M=Zn)
PublicationReakcja silanotiolanu manganu(II) z imidazolem oraz dwiema jego metylowymi pochodnymi prowadzi do uzyskania kompleksów heteroleptycznych o różnym typie. Gdy do syntez wykorzystano 2-metyloimidazol uzyskano związek zawierający w komórce elementarnej dwie różniące się od siebie cząsteczki, powiązane wiązaniami wodorowymi typu N-H…S. W jednej z tych molekuł centralny atom manganu jest skoordynowany z czterema ligandami: dwoma podstawnikami...
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Experimental and computational study on mechanical behaviour of carpentry corner log joints
PublicationThis work concerns experimental and numerical research on carpentry joints used in historic wooden buildings in southeastern Poland and western Ukraine. These structures are mainly sacred buildings, and the types of corner log joints characteristic of this region are primarily saddle-notch and dovetail joints; thus, these two types of joints were analysed in this study. The modelling of historic timber structures is a complex...
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Wiener Filtering Applied to Conducted EMI Estimation in Soft Switching Inverter
PublicationW artykule tym przedstawiono metodę szacowania poziomu zaburzeń elektromagnetycznych przewodzonych generowanych w miekko-przełączalnym falowniku napięcia. Wykorzystano metodę filtracji Wienera, gdzie wykorzystano skończoną liczbę filtrów Wienera jako odzwierciedlenie wszystkich warunków generacji i propagacji zaburzeń. Do określenia transmitancji filtrów wykorzystano przebiegi napięć na zaciskach łączników energoelektronicznych...
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Kernel PCA in Application to Leakage Detection in Drinking Water Distribution System
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Agent-Based RBF Network Classifier with Feature Selection in a Kernel Space
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Kernel PCA in Application to Leakage Detection in Drinking Water Distribution System
PublicationMonitoring plays an important role in advanced control of complex dynamic systems. Precise information about system's behaviour, including faults detection, enables efficient control. Proposed method- Kernel Principal Component Analysis (KPCA), a representative of machine learning, skilfully takes full advantage of the well known PCA method and extends its application to nonlinear case. The paper explains the general idea of KPCA...
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A note on a Wiener-Wintner theorem for mean ergodic Markov amenable semigroups
PublicationWe prove a Wiener-Wintner ergodic type theorem for a Markov representation of a right amenable semitopological semigroup.
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Ruthenium(II) and Iridium(III) Complexes as Tested Materials for New Anticancer Agents
PublicationThe oncological use of cisplatin is hindered by its severe side eects and a very important resistance problem. To overcome these problems, scientists have attempted to design new generation transition-metal anticancer complexes. In this study, we present new complexes, ruthenium(II) [(6-p-cymene)RuCl(py2CO)]PF6 (1), iridium(III) [(5-Cp)IrCl(py2CO)]PF6 (2), and NH4[IrCl4(py2CO)]H2O (3), based on di-2-pyridylketone (py2CO). The prepared...
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Probing the Magnetic Anisotropy of Co(II) Complexes Featuring Redox-Active Ligands
PublicationCoordination complexes that possess large magnetic anisotropy (otherwise known as zero-field splitting, ZFS) have possible applications in the field of magnetic materials, including single molecule magnets (SMMs). Previous studies have explored the role of coordination number and geometry in controlling the magnetic anisotropy and SMM behavior of high-spin (S = 3/2) Co(II) complexes. Building upon these efforts, the present work...
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Styrene Oxidation by Copper(II) Complexes Salen-Type Encapsulated into Nay Zeolite
PublicationThe copper(II) complex with a Schiff-base salen-type ligand has been encapsulated in the nanopores of a NaY zeolite by using two different methodologies, the flexible ligand and in situ complex preparation methods. The encapsulated and non-encapsulated copper(II) complexes were screened as catalysts for styrene oxidation by using TBHP as the oxygen source in acetonitrile solvent. Under the optimized conditions, the catalysts exhibited...
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The new diphosphanylphosphido complexes of tungsten(VI) and molybdenum(VI). Their synthesis, structures and properties
PublicationWe report on the reactivity of R2P–P(Li)–PR’2 (R = tBu, iPr, R’ = NEt2, iPr) towards diimido complexes [(dippN)2MCl2·dme] (M = Mo, W and dipp = 2,6-iPr2C6H3). A series of new complexes with diphosphanylphosphido ligands R2P–P–PR’2 were isolated. The solid-state structures of [(dippN)2M(Cl)(1,2-η-iPr2P–P– PiPr2)] (2Mo and 2W) and [(dippN)2M(Cl){1,2-η-tBu2P–P–P(NEt2)2}] (3Mo and 3W) were established by single-crystal X-ray diffraction...
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Self-assembly of zinc and cobalt complexes mimicking active site of alcohol dehydrogenase
PublicationPo raz pierwszy zsyntetyzowano obojętne kompleksy cynku i kobaltu naśladujące strukturę centrum aktywnego dehydrogenazy alkoholowej z wodą jako dodatkowym ligandem. Jakość otrzymanych kryształów pozwoliła na szczegółową analizę wewnątrzcząsteczkowych wiązań wodorowych w kryształach tych związków. Wnioski potwierdzono za pomocą spektroskopii FT-IR w ciele stałym.
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New dioxomolybdenum(VI) complexes of tetradentate Schiff base as catalysts for epoxidation of olefins
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Interfacial Charge Transfer Complexes in TiO2-Enediol Hybrids Synthesized by Sol–Gel
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Potentiometric and AM1d studies of a new class of Tr-podands–silver(I) complexes
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B-podand complexes with sodium ions: the reaction heats and PM5 semiempirical calculation
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Heteroleptic cobalt(II)tri-tert-butoxysilanethiolates in search of new biomimetic complexes
PublicationW ramach prowadzonych badań mających na celu syntezę układów mimikujących centra aktywne wybranych metaloprotein zostały otrzymane dwa nowe heterlopetyczne tri-tert-butoksysilanotiolany kobaltu(II) w reakcji bimetalicznego kompleksu kobaltu(II) zawierającego już reszty silanotiolanowe z pochodnymi pirydyny: 3,5-dimetylopirydyny i dibenzyloaminy. Otrzymane związki zostały scharakteryzowane strukturalnie za pomocą analizy rentgenostrukturalnej,...
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Resonance-Raman spectro-electrochemistry of intermediates in molecular artificial photosynthesis of bimetallic complexes
PublicationThe sequential order of photoinduced charge transfer processes and accompanying structure changes were analyzed by UV-vis and resonance-Raman spectroscopy of intermediates of a Ru(II) based photocatalytic hydrogen evolving system obtained by electrochemical reduction.
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Targ Węglowy as the keystone of two ring road complexes of Gdańsk city centre
PublicationThe urban structure of Gdansk city centre is determined by two ring road complexes. The first of them, the Gdansk Ring, has been created as a result of a city defortification at the turn of the 19th and 20th centuries and has been destroyed in the end of World War Two with the rest of Gdansk. The second, the Main Town Green Belt, has been formed in place of the medieval fortification system of the city’s most important historical...
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Reactivity of Diimido Complexes of Molybdenum and Tungsten towards Lithium Derivatives of Diphosphanes and Triphosphanes
PublicationThe reaction of R2P–P(SiMe3)Li (R = tBu, iPr) with the diimido molybdenum complex [(ArN)2MoCl2·dme] (Ar = 2,6-iPr2C6H3; dme = 1,2-dimethoxyethane) yielded the side-oncoordinated phosphanylphosphinidene anionic complexes [(2,6-iPr2C6H3N)2Mo(Cl)(η2-P=PR2)]– (7Mo, 8Mo). The thermal decomposition of [(2,6-iPr2C6H3N)2M(Cl)(η2-P=PR2)]–[M = Mo (7Mo), W (8W)] to [(2,6-iPr2C6H3N)2M(Cl)(1,2-η-tBu2P=P–PtBu2)] [M = Mo (3Mo), W (3W)] was investigated...
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Thermal properties of lanthanide(III) complexes with 5-amino-1,3-benzenedicarboxylic acid
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New Dinuclear Macrocyclic Copper(II) Complexes as Potentially Fluorescent and Magnetic Materials
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Symmetry-Dependent Vibrational Circular Dichroism Enhancement in Co(II) Salicylaldiminato Complexes
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Molecular Dynamics of Complexes of Atosiban with Neurohypophyseal Receptors in the Fully Hydrated Phospholipid Bilayer
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Phosphanylphosphido and phosphanylphosphinidene complexes of zirconium(IV) supported by bidentate N,N ligands
PublicationPhosphanylphosphido complexes of zirconium, [NacNacZrCl2(η2-R2P–PSiMe3)] (R = t-Bu, i-Pr), were synthesized in the reaction of R2P–P(SiMe3)Li·nTHF (R = t-Bu, i-Pr) with a β-diketiminate complex, [NacNacZrCl3], in toluene. Elimination of Me3SiCl from [NacNacZrCl2(η2-R2P–PSiMe3)] provided the phosphanylphosphinidene complexes [NacNacZrCl(η2-R2P–P)] (R = t-Bu, i-Pr). Moreover, the reaction of [NacNacZrCl2(η2-R2P–PSiMe3)] with R2P–P(SiMe3)Li·nTHF...
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Silver complexes stabilized by large silanethiolate ligands – crystal structures and luminescence properties
PublicationBulky silanethiolate and disiladithiolate ligands were applied to synthesize one mononuclear and three trinuclear silver complexes including two cyclic “microclusters” and a linear tri-nuclear silanethiolate complex. All obtained compounds are characterized by X-ray diffraction and FT-IR. NMR and emission spectroscopies were used where possible. The first trinuclear anionic silver thiolate is structurally characterized. The influence...
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Structural, physicochemical and anticancer study of Zn complexes with pyridyl-based thiazolyl-hydrazones
PublicationThiazolyl-hydrazones (THs) exhibit a wide spectrum of biological activity that can be enhanced by complexation with various metal ions. Zn(II) complexes with α-pyridine-1,3-TH ligands may represent an alternative to the standard platinum-based chemotherapeutics. In addition, they show photoluminescence properties and thus can be regarded as multifunctional materials. In this study, we synthesized and characterized three neutral...
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Determination of stability constants of complexes of selected amide ionophores with alkali metal cations
PublicationPodano właściwości kompleksujące jony litowców czterech jonoforów typu amidów. Wyznaczono wartości stałych kompleksów z jonów Li+, Na+, K+ metodą potencjometryczną z zastosowaniem elektrod jonoselektywnych stosując dwie różne procedury: 1) stosując jako kation referencyjny TMA+, 2) stosując chromofor kompleksujący H+.
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Complexes of manganese(II) tri-tert-butoxysilanethiolate with chelating N-donor ligands.
PublicationTri-tert-butoksysilanotiolan manganu(II) jest związkiem wrażliwym i rozkładającym się w warunkach atmosferycznych. Z tego względu synteza jego pochodnych z chelatującymi zasadami heterocyklicznymi takimi jak 1,10-fenantrolinaza czy 2,2'-bipirydyl wydawał się dogodną metodą otrzymania bardziej stabilnych układów. Otrzymane w ten sposób krystaliczne proszki wykazują znacznie wyższą stabilność temperaturową, możliwe jest więc przechowywanie...
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A fast time-frequency multi-window analysis using a tuning directional kernel
PublicationIn this paper, a novel approach for time-frequency analysis and detection, based on the chirplet transform and dedicated to non-stationary as well as multi-component signals, is presented. Its main purpose is the estimation of spectral energy, instantaneous frequency (IF), spectral delay (SD), and chirp rate (CR) with a high time-frequency resolution (separation ability) achieved by adaptive fitting of the transform kernel. We...
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Historical carpentry corner log joints—Numerical analysis within stochastic framework
PublicationThe paper presents the results of numerical analysis performed on historical, traditional carpentry corner logjoints of two basic topologies: the short-corner dovetail connection and the saddle notch connection. These types of carpentry joints are commonly used in currently preserved objects of wooden architecture. All connections have been modelled in pinewood, which has been defined in the Finite Element software MSC.Marc/Mentat...
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The Application of Kernel Density Estimation for Aided the Process of Locating Sources of Voltage Fluctuations
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Kernel-Based Fuzzy C-Means Clustering Algorithm for RBF Network Initialization
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DOOCS server and client application for FPGA-based TESLA cavity controller and simulator
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Use of biomass and coal in process of co-firing fuels in boiler with retort burner
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Wiener Jahrbuch für Kunstgeschichte
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Synthesis of Bis(ethylenedithio)dithiadiazafulvalenes (BEDT-DTDAF) and Generation of Charge Transfer Complexes with Tetracyanoquinodimetane
PublicationW artykule opisana została synteza Bis(etylenoditio)ditiadiazafulwalenów (BEDT-DTDAF) wykorzystująca jako kluczowe związki przejściowe 4,5-(etylenoditio)tiazol oraz sole 3-aliklo-4,5-(etylenoditio)tiazoliowe oraz generowanie przewodzących kompleksów z przeniesieniem ładunku usyskanych z Bis(etylenoditio)ditiadiazafulwalenów oraz tetracyjanochinodimetanu.
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Electric field and charge induced quenching of luminescence in electroluminescent emitters based on lanthanide complexes
PublicationW pracy badano ładunkowe i elektrycznopolowe wygaszanie ekscytonóww układzie dwuamina TPD: organiczny kompleks europu przez pomiar zaników fotoluminescencji w zewnętrznym polu elektrycznym.
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Thermal analysis of copper(II) complexes of general formula [Et4N]2[CuBrnCl4-n]
PublicationBadano dekompozycję termiczną związków składających sie z anionów: [CuBrnCl4-n]2- (n=0-4) i kationów tetrametyloamoniowych. Stosowano następujące metody badawcze: TG-FTIR, TG-MS, DTA i DTG. Pomiary przeprowadzono w atmosferze argonu i powietrza w zakresie temperatur od 293 K do 1073 K. Produkty dekompozycji identyfikowano metoda spektroskopii w podczerwieni (IR i FIR) oraz metodą dyfrakcji promieniowania rentgenowskiego.
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Structural studies on radiopharmaceutical DOTA-minigastrin analogue (CP04) complexes and their interaction with CCK2 receptor
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