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Wyniki wyszukiwania dla: LIGANDY SILANOLANOWE
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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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Halogenoids as Ligands in Superhalogen Anions
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Journal of Receptor Ligand and Channel Research
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AQUA-DUCT: a ligands tracking tool
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New pathways for functionalization of phosphorus ligands
PublikacjaThe presented dissertation consistsof two main partsand focuses on the synthesis and characterization of new low-valent phosphorus compounds. Thesestudies have already been fully described in three JCR-journals. The first partdescribes the utilization ofselectedphosphanylphosphinidene transition metal complexes as a source of diversified phosphorus ligands. For thispurposethree complexes...
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Mixed-ligand complexes of zinc(II), cobalt(II) and cadmium(II) with sulfur, nitrogen and oxygen ligands. Analysis of the solid state structure and solution behavior. Implications for metal ion substitution in alcohol dehydrogenase
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Reactions of cobalt(ii) chloride and cobalt(ii) acetate with hemisalen-type ligands: ligand transformation, oxidation of cobalt and complex formation. Preliminary study on the cytotoxicity of Co(ii) and Co(iii) hemisalen complexes
PublikacjaSeveral molecular cobalt(II) complexes, one Co(II) coordination polymer, and one ionic cobalt(III) complex with imine hemisalen ligands were synthesized. The hemisalen ligands were synthesized from o-vanillin (oVP) and diverse aminopyridines (compounds HL1–HL4) or aminophenol (compound HL5). It was observed that cobalt(II) chloride in dry acetonitrile catalyzes a transformation of HL1 and HL3 instead of complex formation. The conversion...
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Mixed-ligand complexes of zinc(II), cobalt(II) and cadmium(II) with sulfur, nitrogen and oxygen ligands. Analysis of the solid state structure and solution behavior. Implications for metal ion substitution in alcohol dehydrogenase
PublikacjaScharakteryzowano strukturę heteroleptycznych kompleksów cynku(II), kobaltu(II) i kadmu(II) z 2-(2'-hydroksyetylopirydyną), tri-tert-butoksysilanotiolem i metanolem. Przy pomocy widm UV-Vis i NMR stwierdzono szybką wymianę N-liganda w roztworach tych kompleksów. Wyznaczono przesunięcia 15N NMR 2-(2'-hydroksyetylopirydyny) w kompleksach cynku(II) i kadmu(II). Na podstawie widm w podczerwieni i obliczeń DFT oszacowano względną moc...
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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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Iron complexes with terminal and nonbridging phosphanido ligands
PublikacjaThis review discusses known iron complexes with terminal-bonded and nonbridging phosphanido ligands R2Pand their analogs, such as phosphanylphosphanido, borylphosphanido and oligophosphanido groups, that have been reported since 1960s. Particular attention is focused on the synthesis and structural features of these complexes, which have a direct impact on their philicity and further reactivity. Moreover, their application in catalysis...
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Aryl- and heteroaryl-substituted phenylalanines as AMPA receptor ligands
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Complexes of silanethiolate ligands: Synthesis, structure, properties and application
PublikacjaThe purposeful syntheses of silanethiolate complexes started approximately in the mid-eighties of the 20th century but no summary of the synthetic efforts has been reported till now. The synthetic methods and the resulting complexes have some common features, which are emphasized throughout the review. Thereby specific difficulties during synthesis are outlined and the structures, properties and possible applications of the resulting...
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Formation of polyphosphorus ligands mediated by zirconium and hafnium complexes
PublikacjaThe reactions of R2P–P(SiMe3)Li (R = tBu, iPr, iPr2N) with [Cp2MCl2] (M = Zr, Hf), [Cp∗CpZrCl2] and [CpZrCl3] yielded polyphosphorus (mainly hexaphosphorus) compounds which can be viewed as intermediates between R2P–P(SiMe3)Li and derivatives of 1,2,3,4-tetraphosphabicyclo[1.1.0] butane. Thus R2P–P(SiMe3)Li can act as a building block for the formation of the P2 ligand and the R2P–P(P2) and R2P–P(P2)P–PR2 moieties. Solid state...
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Synthesis of new trifunctional ligands based on 1,4,7,10-tetraazacyclododecane.
Publikacja1,4,7,10-tetraazacyklododekan jest cykliczną tetraaminą. Selektywne wprowadzenie różnych podstawników jest dość trudnym zadaniem. W pracy przedstawiono syntezę pozwalającą na wprowadzenie trzech różnych podstawników z wysokimi wydajnościami. Substratem w reakcji był dichroniony cyklen, który następnie wykorzystano do selektywnej substytucji podstawnika chinolinowego i długiego łańcucha alifatycznego, zakończonego grupą hydroksylową.Następnie...
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Kompleksy metali przejściowych zawierające ligand R2P-P
PublikacjaBadania obejmują kompleksy metali przejściowych zawierające ligandy fosfanylofosfinidenowe oraz fosfanylofosfidowe. Kompleksy te są pochodnymi kompleksów fosfinidenowych oraz fosfidowych, gdzie grupa alkilowa została zastąpiona grupą fosfanylową (R’2P). W pracy można wydzielić trzy główne obszary badań. Pierwszym było zbadanie reaktywności R2PP(SiMe3)Li względem diamidowych bądź β-diketiminowych kompleksów cyrkonu zawierających...
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Syntheses and Structures of Transition Metal Complexes with Phosphanylphosphinidene Chalcogenide Ligands
PublikacjaThe reactivity of the phosphanylphosphinidene complex [(DippN)2W(Cl)(η2-P-PtBu2)]− (1) toward chalcogens (Ch = Se, S) was studied. Reactions of stoichiometric amounts of 1 with chalcogens in DME yielded monomeric tungsten complexes with phosphanylphosphinidene chalcogenide ligands of the formula tBu2P−P−Ch (Ch = Se (in 2) and S (in 5)), which can be regarded as products of the addition of a chalcogen atom to a P=W bond in starting...
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3-Substituted phenylalanines as selective AMPA- and kainate receptor ligands
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Introducing various ligands into superhalogen anions reduces their electronic stabilities
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Cobalt(II) tri-tert-butoxysilanethiolates with bidentate spacer ligands
PublikacjaOtrzymano szereg nowych tri-tert-butoksysilanotiolanów Co(II) z dwudonorowymi N,N'-ligandami takimi jak pirazyna, chinoksalina i 4,4'-bipy. W przypadku pirazyny i chinoksaliny otrzymane kompleksy są bimetaliczne, w których atomy metali połączone są odpowiednią aminą. Użyty do syntezy 4,4'-bipy pozwolił na otrzymanie dwóch odmian polimorficznych kompleksu {[Co{SSi(tBuO)3}2]2(μ-4,4'bipy)}, a także polimeru koordynacyjnego o wzorze...
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Metals and metal-binding ligands in wine: Analytical challenges in identification.
PublikacjaBackground Due to important role of metals in the vinification process as well as their impact on the human health, their content in this alcoholic beverage has been extensively studied by many researchers. It is already known that speciation of metals determines their toxicity and bioavailability as well as influences their activity. Understanding the chemistry and knowing the structures of metal complexes could have relevant...
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Group 11 complexes with a phosphanylphosphaalkene ligand: preparation and stability study
PublikacjaThe reactivities of two selected phosphanylphosphaalkenes, Ph2C=P-PtBu2 (1a) and (p-MeO-Ph)2C=P-PtBu2 (1b), toward CuCl, AgCl and (tht)AuCl (tht = tetrahydrothiophene) were investigated. As a result, new phosphanylphosphaalkene dimeric and monomeric complexes were formed (Cu and Ag dimeric and Au monomeric). All obtained products were air and moisture stable and light insensitive.
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Ligand Design by Ionomers. ESR of MoV in Perfluorinated Ionomer Supports
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Sulfurization of phosphanylphosphinidene ligand: Access to phosphinothioyltrithiophosphonato platinum(II) complexes
PublikacjaThe reactivity of phosphanylphosphinidene Pt(0) complexes [DppePt(η2-P–PtBu2)] (1) and [(pTol3P)2Pt(η2-P–PtBu2)] (2) toward sulfur was studied. Reactions of 1 and 2 with an excess of sulfur led to the formation of the first transition metal complexes 3 and 4 with phosphinothioyltrithiophosphonato ligands with the formula [tBu2P(=S)–P(=S)S2]2-. In contrast to previous reports on the phosphanylphosphinidene moiety sulfurization,...
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First Copper(I) and Silver(I) Complexes Containing Phosphanylphosphido Ligands
PublikacjaThree new complexes with phosphanylphosphido ligands, [Cu4{μ2-P(SiMe3)-PtBu}4](1), [Ag4{μ2-P(SiMe3)-PtBu2}4](2) and [Cu{η1-P(SiMe3)-PiPr2}2]–[Li(Diglyme)2] (3) were synthesized and structurally characterized by X-ray diffraction, NMR spectroscopy, and elemental analysis. Complexes 1 and 2 were obtained in the reactionsof lithium derivative of diphosphane tBu2P-P(SiMe3)Li·2.7THF withCuCl and [iBu3PAgCl]4, respectively....
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Metal complexes with mixed s-donor ligands - a route via silanethiolates
PublikacjaW ramach prezentowanej pracy przedstawiono pierwsze próby syntezy mieszanych układów zawierających jednocześnie przykoordynowane reszty ditiokarbaminianową oraz silanotiolanowych. W badaniach posłużono się - jako substratami tri-tert-butoksysilanotiolanami kompleksami Cd, Zn, Cu, Pb, Hg, Ag i Co, a także solami kwasów: dietyloditiokarbaminowego oraz pirolidynoditiokarbaminowego. W przypadku związku Ag nie udało się wyizolować stałych...
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Theoretical Search for Alternative Nine-Electron Ligands Suitable for Superhalogen Anions
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Assestment of the anti-cancer activity of the copper complexes with imidazole and pivalato ligands
PublikacjaDespite 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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Silver(I) complexes with nitrile ligands: New materials with versatile applications
PublikacjaIn 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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Evaluation of CD40, its ligand CD40L and Bcl-2 in psoriatic patients
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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublikacjaAccurate 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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Anticancer Study on IrIII and RhIII Half-Sandwich Complexes with the Bipyridylsulfonamide Ligand
PublikacjaTwo 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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Structural Insights into σ1 Receptor Interactions with Opioid Ligands by Molecular Dynamics Simulations
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Neurohypophyseal Receptors-Ligands: Where We Are After the Landmark Rhodopsin Structure Determination
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Phosphanylphosphido and phosphanylphosphinidene complexes of zirconium(IV) supported by bidentate N,N ligands
PublikacjaPhosphanylphosphido 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
PublikacjaBulky 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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Crystal and electronic structures of Ni(II) silanethiolates containing flexible diamine ligands
PublikacjaFive nickel(II) complexes containing aliphatic diamines and tri-tert-butoxysilanethiolate ligand have been synthesized for the purpose of studying their structural, spectral (IR, UV–Vis, HF EPR) and thermal properties. Complexes (1)–(5) have been prepared in high yield by reactions of [Ni{SSi(OtBu)3}2(NH3)(H2O)] with 1.3-propanediamine (L1), 1,6-hexanediamine (L2), or 1,7-heptanediamine (L3). The X-ray structures were determined...
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Probing the Magnetic Anisotropy of Co(II) Complexes Featuring Redox-Active Ligands
PublikacjaCoordination 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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Complexes of manganese(II) tri-tert-butoxysilanethiolate with chelating N-donor ligands.
PublikacjaTri-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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Molecular mechanism of proton-coupled ligand translocation by the bacterial efflux pump EmrE
PublikacjaThe current surge in bacterial multi-drug resistance (MDR) is one of the largest challenges to public health, threatening to render ineffective many therapies we rely on for treatment of serious infections. Understanding different factors that contribute to MDR is hence crucial from the global “one health” perspective. In this contribution, we focus on the prototypical broad-selectivity proton-coupled antiporter EmrE, one of the...
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Hot spot identification by ligand-protein surface interactions mapping – in silico study
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Study of the Interactions between Neurophysin II and Dipeptide Ligand by Means of Molecular Dynamics
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Hydrothermal reactions: From the synthesis of ligand to new lanthanide 3D-coordination polymers
PublikacjaThe organic ligand 2,5-piperazinedione-1,4-diaceticacid (H2PDA) was synthesized under hydrothermal conditions starting from the iminodiacetic acid and catalyzed by oxalic acid. The X-ray powder diffraction data indicates that the compound crystallizes in the P21/c space group as reported in the literature. The ligand was also characterized by elemental analysis, magnetic nuclear resonance, infrared spectroscopy and thermogravimetric...
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Electroabsorption study of metal-to-ligand charge transfer in an organic complex of iridium (III).
PublikacjaW pracy zmierzono i zinterpretowano widmo elektroabsorpcji (EA) próżniowo naparowanych warstw organicznego kompleksu Ir(ppy)3, powszechnie stosowanego jako emiter fosforescencyjny w organicznych diodach elektroluminescencyjnych. Analiza widma EA potwierdziła fakt,że niskoenergetyczne stany elektronowe tego kompleksu związane są z przeniesieniem ładunku metal-ligand.
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Porphyrazines Peripherally Functionalized with Hybrid Ligands as Molecular Scaffolds for Bimetallic Metal-Ion Coordination
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Synthesis, coordination properties and biological activity of vanadium complexes with hydrazone Schiff base ligands
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Vanadium complexes with salicylaldehyde-based Schiff base ligands—structure, properties and biological activity
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A comparison of structural and luminescence properties of lead(II) coordination polymers with isomeric thiophenecarboxylate ligands
PublikacjaTwo new lead(II) coordination polymers with isomeric thiophenecarboxylates, namely [Pb(2tpCOO)2]n (1) and [Pb(3tpCOO)2(H2O)]n (2) (2tpCOO− = thiophene-2-carboxylate, 3tpCOO− = thiophene-3-carboxylate), were synthesized and characterized. Single crystal X-ray crystallography revealed a distorted pentagonal pyramidal geometry {PbO6} around Pb in 1 and a distorted dodecahedral geometry {PbO8} in 2. The distortion derived from the...
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Termodynamiczne aspekty oddziaływania niskocząsteczkowych ligandów z DNA
PublikacjaKwasy nukleinowe są celem biologicznym dla wielu antybiotyków oraz leków przeciwnowotworowych i przeciwwirusowych. Dlatego podczas tworzenia nowych farmaceutyków ważna jest dokładna wiedza na temat sposobu wiązania się leku do DNA.Oddziaływanie ligand-DNA można podzielić na dwie grupy: 1. wiązanie kowalencyjne, które często prowadzi do utworzenie trwałych wiązań pomiędzy nićmi DNA, 2. fizykochemiczne wiązanie, które może być podzielone...
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Termodynamika niekowalencyjnego oddziaływania małocząsteczkowych ligandów z dna
PublikacjaKwasy nukleinowe są jednym z głównych celów biologicznych dla wielu antybiotyków oraz leków przeciwnowotworowych i przeciwwirusowych. Podczas tworzenia nowych farmaceutyków ważna jest dokładna wiedza na temat sposobu wiązania się leku do DNA. Oddziaływanie ligand-DNA można podzielić na dwie grupy: 1. wiązanie kowalencyjne, które często prowadzi do utworzenie trwałych wiązań pomiędzy nićmi DNA, 2. fizykochemiczne wiązanie, które...
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Ligand-Modified Boron-Doped Diamond Surface: DFT Insights into the Electronic Properties of Biofunctionalization
PublikacjaWith the increasing power of computation systems, theoretical calculations provide a means for quick determination of material properties, laying out a research plan, and lowering material development costs. One of the most common is Density Functional Theory (DFT), which allows us to simulate the structure of chemical molecules or crystals and their interaction. In developing a new generation of biosensors, understanding the nature...