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Search results for: LANTHANIDE COMPLEXES
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Spectroscopic, molecular docking and molecular dynamic simulation studies on the complexes of β-lactoglobulin, safranal and oleuropein
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CLICK 'n' Sleep: Light-Switch Behavior of Triazole-Containing Tris(bipyridyl)ruthenium Complexes
PublicationA set of RuII complexes incorporating triazole subunits are presented. They show a solvent-dependent light-switch effect. Theoretical calculations revealed the excited states involved in the emission process. The findings are highly important for future design of light-switch sensors and suggest a severe restriction for functional photomolecular devices synthesized by CLICK chemistry.
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Effect of novel dinuclear platinum(II) complexes on redox status of MOLT-4 leukemic cells
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The oxydiacetate and iminodiacetate complexes of oxidovanadium(IV) as the new series of the catalysts for the oligomerization of beta-olefin derivatives
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Trinuclear Complexes Derived from R/S Schiff Bases – Chiral Single‐Molecule Magnets
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Trinuclear Complexes Derived from R/S Schiff Bases – Chiral Single‐Molecule Magnets
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Metal–metal interactions in bent cyano-bridged trinuclear octacyanomolybdate(IV)–platinum(IV) complexes
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The acid strength of the HF/AlX3 Lewis-Brønsted complexes involving various electron acceptors as ligands
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FTIR and NMR studies of bis(oxaalkyl) sulphates(IV) and their complexes with proton and some metal cations
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The reaction heats and PM5 semiempirical studies of complexes formed between silicon podand and monovalent cations
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The reaction heats and PM5 semiempirical studies of complexes formed between silicon podand and Li+ cations
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Chromogenic complexes and selective preconcentration of Fe(III) and Cu(II) by hydroxynaphthoyl-1,4,7,10-tetraazacyclododecane derivatives
PublicationSpektroskopowe oznaczanie zawartości jonów żelaza w różnych próbkach środowiskowych jest przedmiotem wieloletnich badań. Pomimo tego ciągle poszukuje się selektywnych odczynników zdolnych do tworzenia kompleksów z jonami żelaza(II) lub żelaza(III). 1,4,7,10-tetraazacyklododekan nie tworzy kompleksów z jonami żelaza, ale wprowadzając stosowne podstawniki można uzyskać właściwe ligandy. W reakcji acylowania otrzymano 1-(1-hydroksy-2-naftoilo)-1,4,7,10-tetraazacyklododekan...
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Theoretical study of the structure, energetics and vibrational frequencies of water-acetone and water-2-butanone complexes
PublicationKompleksy acetonu i 2-butanonu z 0-2 cząsteczkami wody połączonymi wiązaniem wodorowym z tlenem karbonylowym zbadano z wykorzystaniem teorii funkcjonału gęstości (DFT) na poziomie B3LYP/6-311++G(d,p). Obliczenia w fazie gazowej uzupełniono o optymalizacje w otoczeniu rozpuszczalnika, symulowanego za pomocą modelu polaryzowalnego kontinuum (PCM). Częstości drgań oscylacyjnych otrzymane na podstawie zależności empirycznej sa zgodne...
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Synthesis, Structure, and Spectroscopic Properties of Calcium Thiophenecarboxylate Polymers. Structural Comparison with Analogous Lead Complexes
PublicationThree 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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Overview of the Synthesis and Catalytic Reactivity of Transition Metal Complexes Based on C═P Bond Systems
PublicationThis report provides an overview of the use of phosphaalkenes (C=P) in syntheses of various complexes. Going through successive complexes containing the d-block metals, we sought how this area of chemistry was formed over the years. Additionally, this work contains information on the possible coordination types and means of constructing the complexes. In addition, this review reveals the reactivities of phosphaalkene complexes...
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Synthesis, Characterization and Biological Investigations of Half-Sandwich Ruthenium(II) Complexes Containing Benzimidazole Moiety
PublicationHalf-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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Copper(II) complexes with Fusobacterium nucleatum adhesin FadA: Coordination pattern, physicochemical properties and reactivity
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Physicochemical and Biological Properties of Oxovanadium(IV), Cobalt(II) and Nickel(II) Complexes with Oxydiacetate Anions
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The kinetics of substitution reaction of oxydiacetate and thiodiacetate copper(II) complexes with 1,10-phenanthroline and 2,2’-bipyridine
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Addition of novel benzylmagnesium “ate” complexes of BnR2MgLi type to 2-(thio)pyridones and related compounds
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Bonding in Phosphanylphosphinidene Complexes of Transition Metals and their Correlation with Structures, 31 P NMR Spectra, and Reactivities
PublicationTheoretical studies of the bonding interactions and most important properties are carried out for isolable phosphanylphosphinidene complexes of transition metals. Three main types of phosphanylphosphinidene complexes are distinguished, based on the way in which the phosphanylphosphinidene ligand bonds to the metal center: (i) side-on complexes of platinum, where the R2Pβ–Pα ligand mimics structural features of free singlet phosphanylphosphinidenes...
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Syntheses, Structures and Reactivity of Terminal Phosphido Complexes of Iron(II) Supported by a β-Diketiminato Ligand
PublicationWe report the synthesis of the first series of terminal phosphido iron complexes supported by a β‐diketiminato ligand (Dippnacnac) and their catalytic activity in dehydrocoupling of secondary phosphines. Anionic and neutral mono‐ or diphosphido complexes were obtained from the reaction of [(Dippnacnac)FeCl2Li(dme)2] with the R2PLi (R = iPr, tBu, Cy, Ph) phosphides by tuning the stoichiometric ratio, polarity of the solvent, and...
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Analytical studies on ascosin, candicidin and levorin multicomponent antifungal antibiotic complexes. The stereostructure of ascosin A2
PublicationIn the class of polyene macrolides, there is a subgroup of aromatic heptaenes, which exhibit the highest antifungal activity within this type of antibiotics. Yet, due to their complex nature, aromatic heptaenes were not extensively studied and their potential as drugs is currently underexploited. Moreover, there are many inconsistencies in the literature regarding the composition and the structures of the individual components...
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Charge Transfer, Complexes Formation and Furan Fragmentation Induced by Collisions with Low-Energy Helium Cations
PublicationThe present work focuses on unraveling the collisional processes leading to the fragmentation of the gas-phase furan molecules under the He+ and He2+ cations impact in the energy range 5–2000 eV. The presence of different mechanisms was identified by the analysis of the optical fragmentation spectra measured using the collision-induced emission spectroscopy (CIES) in conjunction with the ab initio calculations. The measurements of...
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New uranium(vi) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study
PublicationThe 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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Gold(III) complexes with chloride and cyanopyridines: Facilitated hydrolysis of nitrile ligand to amide and antibacterial activity
PublicationA range of novel simple gold(III) compounds has been synthesized in their monocrystalline form, including two previously unknown chloro-complexes of Au3+ with 2-cyanopyridine or 3-cyanopyridine, respectively. Our investigations have revealed the intricate nature of the reaction between 2-cyanopyridine and tetrachloroauric acid, yielding at least three distinct products. The main product, obtained in high yield, is a salt featuring...
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Ln2(SeO3)2(SO4)(H2O)2 (Ln=Sm, Dy, Yb): A Mixed‐Ligand Pathway to New Lanthanide(III) Multifunctional Materials Featuring Nonlinear Optical and Magnetic Anisotropy Properties
PublicationBottom-up assembly of optically nonlinear and magnetically anisotropic lanthanide materials involving precisely placed spin carriers and optimized metal-ligand coordination offers a potential route to developing electronic architectures for coherent radiation generation and spin-based technologies, but the chemical design historically has been extremely hard to achieve. To address this, we developed a worthwhile avenue for creating...
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Properties and interpretation of Instantaneous Complex Frequency
PublicationThe 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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ARUZ - Analyzer of Real Complex Systems
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Information Based Integration for Complex Systems
PublicationW 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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Rearrangeability in multicast Clos networks is NP-complete
PublicationPrzestrajalność 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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A computer system for the complete design of ship propellers
PublicationPraca 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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The unrestricted global effort to complete the COOL trial
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A complete example of experience konowledge structure on XML
PublicationPrzedstawiono kompletny przykład reprezentacji struktury wiedzy w języku XML. Omówiono cztery podstawowe składniki tej reprezentacji: dane, funkcje, ograniczenia i zasady.
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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
PublicationW 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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Catalytic activity and anion activation in SN2 reactions promoted by complexes of silicon polypodands. Comparison with traditional polyethers
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublicationThe 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
PublicationWe 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
PublicationSulfonamides 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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The Quantum Efficiency Roll-Off Effect in Near-Infrared Organic Electroluminescent Devices with Iridium Complexes Emitters
PublicationThe 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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Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study
PublicationWe 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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Structural and spectroscopic investigation of new luminescent hybrid materials based on calix[4]arene-tetracarboxylate and Ln 3+ ions (Ln = Gd, Tb or Eu)
PublicationLanthanide-calixarene hybrid materials are of particular interest due to the combination of the interesting properties of the ligand cavity-like structure and the luminescent features of lanthanides. The aim of this study was to synthesize and investigate the photophysical properties of Eu3+, Tb3+ and Gd3+ hybrids based on calix[4]arene-tetracarboxylate. The preparation of two structurally different...
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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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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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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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Reaction of methanol ligated manganese(II) silanethiolate with pyridine related ligands - different structures of complexes with MnNO2S2 kernel
PublicationReakcja 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.