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Wyniki wyszukiwania dla: titanium complexes
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Blind prediction of homo‐ and hetero‐protein complexes: The CASP13‐CAPRI experiment
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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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Dissociative multi-photon ionization of isolated uracil and uracil-adenine complexes
PublikacjaRecent 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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Histaminol and Its Complexes with Copper(II) - Studies in Solid State and Solution
PublikacjaHistaminol [4(5)-(B-hydroxyethyl)imidazole, 4-(1H-imidazol-2-yl)ethanol, L] is an analogue of histamine and its minor metabolite. So far its properties have not been studied in detail due to the synthetic difficulties. Here, the structure and acid-base properties of histaminol, as well as the results of studies on its copper(II) complexes in solid state and aqueous solution are reported. Stability constants of the histaminol–CuII...
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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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Impact of AlphaFold on structure prediction of protein complexes: The CASP15‐CAPRI experiment
PublikacjaWe 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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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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Study of the anticancer potential of Cd complexes of selenazoyl-hydrazones and their sulfur isosters
PublikacjaThe 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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Surpassing the Line: Urban-Oriented Strategies in the Development of Business Complexes in Poland
PublikacjaDevelopment 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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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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Aggregation properties of some zirconium phosphate loaded with dirhenium(III) complexes
PublikacjaOne of the important areas of modern science is the selection of the right forms of drug delivery. Layered inorganic nanoparticles, such as zirconium phosphate, have proven themselves well in this area. The study of the properties of these systems and methods of their preparation makes it possible to determine a rational technology of their manufacture, storage conditions as well as suggest a possible mechanism of therapeutic action....
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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)
PublikacjaReakcja 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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Influence of overstoichiometric boron and titanium addition on the properties of RF magnetron sputtered tungsten borides
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The application of TS-1 materials with different titanium contents as catalysts for the autoxidation of α-pinene
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Effects of rapid heating on non-equilibrium microstructure evolution and strengthening mechanisms of titanium alloy
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Langmuir monolayer study of phospholipid DPPC on the titanium dioxide–chitosan–hyaluronic acid subphases
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On photovoltaic effect in hybrid heterojunction formed from palladium phthalocyanine and titanium dioxide layers
PublikacjaPraca omawia własności fotowoltaiczne hybrydowego heterozłączy utworzonego z ftalocyjaniny palladu i dwutlenku tytanu. Warstwy TiO2 otrzymano metodą zol-żel, a warstwę organiczną nanoszono metodą próżniowego naparowywania. W pracy przedstawione są charakterystyki prądowo-napięciowe, zależność prądu zwarcia i napięcia rozwarcia od natężenia oświetlenia oraz spektralna charakterystyka prądu zwarcia.
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Chapter 14 : A new concept of highly porous bioactive titanium alloys with hydroxyapatite coatings
PublikacjaPrzedstawiono koncepcję biomateriału o wysokiej bioaktywności i odporności na korozję. Omówiono metody wytwarzania porowatych stopów tytanu, techniki utleniania, techniki nakładania porowatego hydroksyapatytu, nakładanie bioaktywnych polimerów, metody badan i modelowania struktur porowatych.
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Deposition of thin titanium–copper films with antimicrobial effect by advanced magnetron sputtering methods
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Preparation of Ag/Cu-doped titanium (IV) oxide nanoparticles in W/O microemulsion
PublikacjaNanocząstki Cu-TiO2 oraz Ag/Cu-TiO2 otrzymano w mikroemulsji W/O. Właściwości fotokatalityczne zbadano w procesie degradacji fenolu (0,21mM) w zakresie światła widzialnego. Właściwości biobójcze zbadano poprzez wyznaczenie minimalnego stężenia zahamowania wzrostu (MIC) na szczepach bakterii E. coli, St. aureus oraz grzybów S. Cerevisiae i z rodziny Candida. Dla otrzymanych fotokatalizatorów określono wpływ stężenia domieszki metali...
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SURFACE AND SPECTROSCOPIC PROPERTIES OF 1,8-DIAZAFLUOREN-9-ONE IN TITANIUM DIOXIDE THIN FILMS
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Studies on the behaviour of titanium activation foils during long-term exposure at the JET tokamak
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Electrodes Based on a Titanium Dioxide Nanotube–Spherical Silver Nanoparticle Composite for Sensing of Proteins
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Nanoindentation tests titanium alloy Ti-6Al-4V after interference laser treatment
PublikacjaThe study aimed was to assess selected mechanical properties of surface layers obtained after interference laser treatment – DLIL of titanium alloy Ti-6Al-4V used for implants. The samples were melted in still air at room temperature, for this purpose Nd:YAG laser was used, the number of laser shots was variable. Next, nanoindentation tests were performed, based on which Young’s modulus and nanohardness in the obtained surface...
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Catalytic aldol condensation of formaldehyde with acetic acid on titanium phosphates modified by different techniques
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Concentration-Dependent Fluorescence Properties of Rhodamine 6G in Titanium Dioxide and Silicon Dioxide Nanolayers
PublikacjaWytworzono cienkie warstwy zawierające rodaminę 6G w dwutlenku tytanu (R6G/TiO2) i w dwutlenku krzemu (R6G/SiO2) stosując metodę zol-żel. Badane były dwa rodzaje matryc, w których domieszkowano barwnik rodamina 6G (R6G) o różnych koncentracjach. Został stwierdzony istotny wpływ koncentracji barwnika na widma absorpcji i emisji oraz na czasowo rozdzielone widma fluorescencji. W szczególności stwierdzono znacznie mniejszą zdolność...
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Nucleation and growth of CVD diamond on fused silica optical fibres with titanium dioxide interlayer
PublikacjaNucleation and growth processes of thin diamond films on fused silica optical fibres have been investigated. Fibres were coated with diamond film using microwave plasma enhanced chemical vapour deposition (µPE CVD) system. Since the growth of diamond on the fused silica glass requires high seeding density, two types of glass pre-treatment were applied: titanium dioxide (TiO2) interlayer deposition and sonication in nanodiamond...
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Electrophoretically deposited titanium and its alloys in biomedical engineering: Recent progress and remaining challenges
PublikacjaOver the past decade, titanium implants have gained popularity as the number of performed implantation operations has significantly increased. There are a number of methods for modifying the surface of biomaterials, which are aimed at extending the life of titanium implants. The developments in this field in recent years have required a comprehensive discussion of all the properties of electrophoretically deposited coatings on...
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Influence of Surface Laser Treatment on Mechanical Properties and Residual Stresses of Titanium and its Alloys
PublikacjaSurface modification of the titanium and its alloys used in implantology with a long-pulse laser can change the surface topography, but it also leads to changes in the stress sign and magnitude in the resulting subsurface layer. The presented research was aimed at evaluating the state of stress after laser remelting with the Nd:YAG laser of pre-etched titanium alloys Ti6Al4V and Ti13Nb13Zr and pure titanium. The obtained surface...
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Joint experimental and theoretical study on electron scattering from titanium tetrachloride (TiCl4) molecule
PublikacjaAbsolute grand-total cross section for electron scattering from titanium tetrachloride, TiCl4, molecule was measured at electron-impact energies ranging from 0.3 to 300 eV, in the linear electron-transmission experiment. The elastic integral, differential, momentum transfer, and total ionization cross sections for TiCl4 molecule were also calculated for low and intermediate collisional energies at the level of various theories. The...
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Scaling Up the Process of Titanium Dioxide Nanotube Synthesis and Its Effect on Photoelectrochemical Properties
PublikacjaIn this work, for the first time, the influence of scaling up the process of titanium dioxide nanotube (TiO2NT) synthesis on the photoelectrochemical properties of TiO2 nanotubes is presented. Titanium dioxide nanotubes were obtained on substrates of various sizes: 2 × 2, 4 × 4, 5 × 5, 6 × 6, and 8 × 8 cm2. The electrode material was characterized using scanning electron microscopy as well as Raman and UV–vis spectroscopy in order...
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The Influence of Microstructure on the Passive Layer Chemistry and Corrosion Resistance for Some Titanium-Based Alloys
PublikacjaThe effect of microstructure and chemistry on the kinetics of passive layer growth and passivity breakdown of some Ti-based alloys, namely Ti-6Al-4V, Ti-6Al-7Nb and TC21 alloys, was studied. The rate of pitting corrosion was evaluated using cyclic polarization measurements. Chronoamperometry was applied to assess the passive layer growth kinetics and breakdown. Microstructure influence on the uniform corrosion rate of these alloys...
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Photocatalytic degradation of volatile and non volatile organics on titanium dioxyde particles in fluidized bed.
PublikacjaPrzeprowadzono degradację metyloetyloketonu w obecności dwutlenku tytanu jako fotokatalizatora. Badano wpływ początkowego stężenia substancji i stężenia fotokatalizatora na szybkość fotokatalitycznego rozkładu.
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Is Black Titania a Promising Photocatalyst?
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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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B-podand complexes with sodium ions: the reaction heats and PM5 semiempirical calculation
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Potentiometric and AM1d studies of a new class of Tr-podands–silver(I) complexes
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New dioxomolybdenum(VI) complexes of tetradentate Schiff base as catalysts for epoxidation of olefins
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Self-assembly of zinc and cobalt complexes mimicking active site of alcohol dehydrogenase
PublikacjaPo 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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Thermal properties of lanthanide(III) complexes with 5-amino-1,3-benzenedicarboxylic acid
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Interfacial Charge Transfer Complexes in TiO2-Enediol Hybrids Synthesized by Sol–Gel
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Styrene Oxidation by Copper(II) Complexes Salen-Type Encapsulated into Nay Zeolite
PublikacjaThe 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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Ruthenium(II) and Iridium(III) Complexes as Tested Materials for New Anticancer Agents
PublikacjaThe 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
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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The new diphosphanylphosphido complexes of tungsten(VI) and molybdenum(VI). Their synthesis, structures and properties
PublikacjaWe 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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Heteroleptic cobalt(II)tri-tert-butoxysilanethiolates in search of new biomimetic complexes
PublikacjaW 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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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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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...