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Wyniki wyszukiwania dla: nmr 1h 13c
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Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters
PublikacjaThree new titanium oxo-clusters Ti4O2(OiPr)10(OOCPhMe)2 (I), Ti6O4(OEt)8(OOCPhMe)8 (II) and Ti6O6(OEt)6(OOCCHPh2)6 (III) were obtained by easy one-step solvothermal reactions of titanium(IV) isopropoxide, alcohols and carboxylic acids. The three compounds were characterized by single-crystal and powder X-ray diffraction, TGA/DSC, optical and electron microscopy, and FTIR and NMR spectroscopy. X-ray powder diffraction and spectroscopy...
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Bio‑derived polyurethanes obtained by non‑isocyanate route using polyol‑based bis(cyclic carbonate)s—studies on thermal decomposition behavior
PublikacjaNon-isocyanate polyurethanes (NIPUs) constitute one of the most prospective groups of eco-friendly materials based on their phosgene-free synthesis pathway. Moreover, one of the steps of their obtaining includes the use of carbon dioxide (CO 2 ), which allows for the promotion of the development of carbon dioxide capture and storage technologies. In this work, non- isocyanate polyurethanes were obtained via three-step synthesis...
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Corrosion Inhibition Mechanism and Efficiency Differentiation of Dihydroxybenzene Isomers Towards Aluminum Alloy 5754 in Alkaline Media
PublikacjaThe selection of efficient corrosion inhibitors requires detailed knowledge regarding the interaction mechanism, which depends on the type and amount of functional groups within the inhibitor molecule. The position of functional groups between different isomers is often overlooked, but is no less important, since factors like steric hinderance may significantly affect the adsorption mechanism. In this study, we have presented how...
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Molecular basis for the DNA damage induction and anticancer activity of asymmetrically substituted anthrapyridazone PDZ-7
Publikacjanthrapyridazones, imino analogues of anthraquinone, constitute a family of compounds with remarkable anti-cancer activity. To date, over 20 derivatives were studied, of which most displayed nanomolar cytotoxicity towards broad spectrum of cancer cells, including breast, prostate and leukemic ones. BS-154, the most potent derivative, had IC50 values close to 1 nM, however, it was toxic in animal studies. Here, we characterize another...
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5-Selenocyanato and 5-trifluoromethanesulfonyl derivatives of 2′-deoxyuridine: synthesis, radiation and computational chemistry as well as cytotoxicity
Publikacja5-Selenocyanato-2′-deoxyuridine (SeCNdU) and 5-trifluoromethanesulfonyl-2′-deoxyuridine (OTfdU) have been synthesized and their structures have been confirmed with NMR and MS methods. Both compounds undergo dissociative electron attachment (DEA) when irradiated with X-rays in an aqueous solution containing a hydroxyl radical scavenger. The DEA yield of SeCNdU significantly exceeds that of 5-bromo-2′-deoxyuridine (BrdU), remaining...
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Nonlinear impedance of 50Bi2VO5.5-50SrB4O7 glass measured with impedance spectroscopy method at low temperature region
Dane BadawczeThe nonlinear electrcial properties of 50(Bi2VO5.5)-50SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of Bi2VO5.5 ceramic prepared by traditional melt quenching technique was measured with impedance spectroscopy method at low temperature region
Dane BadawczeThe nonlinear electrical properties of Bi2VO5.5 ceramic prepared by traditional melt quenching technique was measured by impedance spectroscopy method.
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Nonlinear impedance of 50Bi2VO5.5-50SrB4O7 annealed glass at 593 K measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of 50Bi2VO5.5-50SrB4O7 annealed glass was measured by impedance spectroscopy method.
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Nonlinear impedance of 35Bi2VO5.5-65SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of 35Bi2VO5.5-65SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of as-quenched 40Bi2VO5.5-60SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrical properties of as-quenched 40Bi2VO5.5-60SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of 30Bi2VO5.5-70SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of 30Bi2VO5.5-70SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of 50Bi2VO5.5-50SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of 50(Bi2VO5.5)-50SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of 45Bi2VO5.5-55SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of 45Bi2VO5.5-55SrB4O7 glass was measured by impedance spectroscopy method.
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Metody matematyczne w chemii 2024 lato
Kursy OnlineWprowadzenie do programowania w Pythonie (zmienne, instrukcje sterujące, funkcje, reprezentacje macierzy i operacje na nich) Podejście numeryczne do rozwiązywania równań różniczkowych i modelowania procesów Markova; proste modele opisujące: kinetykę bistabilnych reakcji wielosubstratowych, termodynamikę dimeryzacji, kooperatywność na poziomie molekularnym Zagadnienie własne: podstawy analizy głównych składowych i teorii Huckla, kwantowochemiczne...
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Chemoselektywność w reakcjach wybranych związków fosforu z pochodnymi hydroksyloaminy
PublikacjaZaprezentowane reakcje wielofunkcyjnych pochodnych hydroksyloaminy składają w większości przypadków z ciągów równoległych i następczych procesów, które prowadzą do powstawania mieszanin produktów. Uzyskane i przeanalizowane rezultaty badań pogłębiają wiedzę na temat ważnej biologicznie i mającej znaczenie praktyczne reakcji przeniesienia fosforylu z udziałem pochodnych hydroksyloaminy. I tak, zbadano wpływ budowy reagentów i mechanizmy...
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Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] towards selected ketones
PublikacjaIn this work, we report a new type of reactivity of [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2}] (1) towards ketones (BDI* = 2,6-diisopropylphenyl-β-methyldiketiminate ligand). In the reaction of 1 with acetone, cyclopentanone or cyclohexanone, a ketone moiety is inserted into Ti–Pphosphanyl or Ti–Pphosphido bonds to form complexes with a new C–P–P moiety, providing [(BDI*)Ti(Cl){η2-P(SiMe3)-PiPr2-C(Me)2O}] (2a), [(BDI*)Ti(Cl){η2-OC(Me)2P(SiMe3)-PiPr2}]...
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Multi-GPU-powered UNRES package for physics-based coarse-grained simulations of structure, dynamics, and thermodynamics of protein systems at biological size- and timescales
PublikacjaCoarse-grained models are nowadays extensively used in biomolecular simulations owing to the tremendous extension of size- and time-scale of simulations. The physics-based UNRES (UNited RESidue) model of proteins developed in our laboratory has only two interaction sites per amino-acid residue (united peptide groups and united side chains) and implicit solvent. However, owing to rigorous physics-based derivation, which enabled...
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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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Nonlinear impedance as a function of A.C. voltage for glass 40Bi2VO5.5-60SrB4O7 annealed at 473 K for 3h and next fully crystallized measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties as a function of A.C. voltage for annealed at 473 K for 3h and next fully crystallized 40Bi2VO5.5-60SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance as a function of A.C. voltage for fully crystallized 35Bi2VO5.5-65SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties as a function of A.C. voltage for fully crystallized 35Bi2VO5.5-65SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of 45Bi2VO5.5-55SrB4O7 fully crystallized glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of 45Bi2VO5.5-55SrB4O7 fully crystallized glass was measured by impedance spectroscopy method.
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Nonlinear impedance as a function of A.C. voltage for annealed and next fully crystallized 50Bi2VO5.5-50SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties as a function of A.C. voltage for annealed and next fully crystallized 50Bi2VO5.5-50SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of as-quenched glass 40Bi2VO5.5-60SrB4O7 after full crystallization was measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of as-quenched glass 40Bi2VO5.5-60SrB4O7 afetr full crystallization was measured by impedance spectroscopy method.
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Nonlinear impedance of 40Bi2VO5.5-60SrB4O7 annealed glass at 473 K for 3 h measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrical properties of 40Bi2VO5.5-60SrB4O7 glass annealed at 473 K for 3h was measured by impedance spectroscopy method.
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Nonlinear impedance as a function of A.C. voltage for glass 40Bi2VO5.5-60SrB4O7 annealed at 593 K and next fully crystallized measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties as a function of A.C. voltage for annealed at 593 K and next fully crystallized 40Bi2VO5.5-60SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of glass 40Bi2VO5.5-60SrB4O7 annealed at 473 K for 3h and next fully crystallized was measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of glass 40Bi2VO5.5-60SrB4O7 annealed at 593 K and next fully crystallized was measured by impedance spectroscopy method.
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Nonlinear impedance of 35Bi2VO5.5-65SrB4O7 fully crystallized glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of 35Bi2VO5.5-65SrB4O7 fully crystallized glass was measured by impedance spectroscopy method.
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Nonlinear impedance of annealed and next fully crystallized 50Bi2VO5.5-50SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of annealed and next fully crystallized 50Bi2VO5.5-50SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of Bi2VO5.5 ceramic prepared by traditional melt quenching technique was measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrical properties of Bi2VO5.5 ceramic prepared by traditional melt quenching technique was measured by impedance spectroscopy method.
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Nonlinear impedance of 50Bi2VO5.5-50SrB4O7 fully crystallized glass at 813 K measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of 50Bi2VO5.5-50SrB4O7 fully crystallized glass was measured by impedance spectroscopy method.
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Nonlinear impedance of 40Bi2VO5.5-60SrB4O7 annealed glass at 593 K measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrical properties of 40Bi2VO5.5-60SrB4O7 glass annealed at 593 K was measured by impedance spectroscopy method.
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Nonlinear impedance of 50Bi2VO5.5-50SrB4O7 partially crystallized glass at 613 K measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of 50Bi2VO5.5-50SrB4O7 partially crystallized glass was measured by impedance spectroscopy method.
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Nonlinear impedance as a function of A.C. voltage for fully crystallized 45Bi2VO5.5-55SrB4O7 glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties as a function of A.C. voltage for fully crystallized 45Bi2VO5.5-55SrB4O7 glass was measured by impedance spectroscopy method.
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Nonlinear impedance of 30Bi2VO5.5-70SrB4O7 fully crystallized glass measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of 30Bi2VO5.5-70SrB4O7 fully crystallized glass was measured by impedance spectroscopy method.
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Nonlinear impedance of glass 40Bi2VO5.5-60SrB4O7 annealed at 593 K and next fully crystallized was measured with impedance spectroscopy method at high temperature region
Dane BadawczeThe nonlinear electrcial properties of glass 40Bi2VO5.5-60SrB4O7 annealed at 593 K and next fully crystallized was measured by impedance spectroscopy method.
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Efficient Extraction of Fermentation Inhibitors by Means of Green Hydrophobic Deep Eutectic Solvents
PublikacjaThe methods for hydrogen yield efficiency improvements, the gaseous stream purification in gaseous biofuels generation, and the biomass pretreatment are considered as the main trends in research devoted to gaseous biofuel production. The environmental aspect related to the liquid stream purification arises. Moreover, the management of post-fermentation broth with the application of various biorefining techniques gains importance....
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Synthesis of compounds with C-P-P and C=P-P bond systems based on the phospha-Wittig reaction
PublikacjaA reactivity study of a β-diketiminate titanium(III) phosphanylphosphido complex [MeNacNacTi(Cl){η2-P(SiMe3)-PtBu2}] (1) towards ketones such as benzophenone, 9-fluorenone, acetophenone, cyclopentanone, cyclohexanone and cycloheptanone is reported. The reactions of 1 with aromatic ketones (without α-protons) directly lead to the Ti(III) complex [MeNacNacTi(μ2-Cl)(OSiMe3)] (5) as well as Ti(IV) complexes with the pinacol condensation...
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Development of biocompatible iron oxide-silicon oxide core-shell nanoparticles as subcellular delivery platform for glucosamine-6-phosphate synthase inhibitors
PublikacjaIn order to develop the preparation of iron oxide-silica coreshell nanoparticles (CSNPs), thesis deeply explores the cetyltrimethylammonium (CTA+) directed silica coating methods of the oleic-acid capped iron oxide nanoparticles (OA-IONPs) initialized under near-neutral pH conditions. It is demonstrated that the initial alkaline hydrolysis of ethyl acetate in the presence of CTA+ and OA-IONPs induces an unusual ligand exchange...
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Modyfikacja β-cyklodekstryny w celu uzyskania pH czułego nośnika leków antracyklinowych
PublikacjaW 2012 roku 68% zgonów było spowodowanych przez choroby niezakaźne takie, jak nowotwory, choroby układu krążenia, przewlekłe choroby układu oddechowego [1]. Zgodnie z danymi Światowej Organizacji Zdrowia (ang. World Health Organization, WHO) w 2012 roku 32,6 miliona osób cierpiało z powodu chorób nowotworowych, a 8,2 miliona zmarło z ich powodu [2]. Szacowane jest, że z roku na rok odsetek osób chorujących na choroby nowotworowe...
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Development of Biocompatible Fe3O4@SiO2 Nanoparticles as Subcellular Delivery Platform for Glucosamine-6-phosphate Synthase Inhibitors
PublikacjaNumerous inhibitors of glucoseamine-6-phophate synthase (GlcN-6-P), the enzyme responsible from catalysis of the first step of metabolic pathway leading to metabolism 5’-diphospho-N-acetyl-D- glucosamine, were reported as effective agents for inhibiting the growth of various fungal pathogens. Among the reported inhibitors,...