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Wyniki wyszukiwania dla: MOLECULAR DYNAMIC
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Synthesis, Chemical Characterization and Multiscale Biological Evaluation of a dimericcRGD Peptide for Targeted Imaging of αVβ3 Integrin Activity
PublikacjaCyclic peptides containing the Arg-Gly-Asp (RGD) sequence have been shown to specifically bind the angiogenesis biomarker α V β3 integrin. We report the synthesis, chemical characterization, and biological evaluation of two novel dimeric cyclic RGD-based molecular probes for the targeted imaging of α V β3 activity (a radiolabeled version, 64Cu-NOTA-PEG4-cRGD2, for PET imaging, and a fluorescent version, FITC-PEG4-cRGD2, for in...
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Seasonal variability and morphological structure of bacteria in the Admiralty Bay (King George Island, Antarctic).
PublikacjaIntroduction: The aim of investigations was to state whether melting glaciers cause mass mortality of the sea stenohalyne organisms, what in consequence can lead to an increase of accumulation and growth of psychrophilic bacteria. It may be also that fresh melting water is unfavourable to the sea bacteria and front glacier's regions are not the areas of their intensive development. Methods: Field investigations were done in Admiralty...
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Structure and properties comparison of poly(ether-urethane)s based on nonpetrochemical and petrochemical polyols obtained by solvent free two-step method
PublikacjaThe application of thermoplastic polyurethanes (TPU) is becoming more and more extensive, and the decreasing of used petrochemical monomers and reduction of energy for the polymerization and processing processes is getting increasingly important. In this paper, we confirmed the positive influence of high bio-based monomers contents (by replacing petrochemical polyol and glycol by bio-based counterparts) on processing and properties...
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Investigation of volatile low molecular weight compounds formed during continuous reclaiming of ground tire rubber
PublikacjaGround tire rubber was thermo-mechanically reclaimed at different temperature conditions (80, 120, 160 °C) using a co-rotating twin screw extruder. The progress of ground tire rubber reclaiming was evaluated with specific mechanical energy, sol fraction and thermogravimetric analysis. Volatile organic compounds (VOCs) including volatile sulfur compounds (VCSs) released from ground tire rubber and ground tire rubber after reclaiming...
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Epoxy/Ionic Liquid-Modified Mica Nanocomposites: Network Formation–Network Degradation Correlation
PublikacjaWe synthesized pristine mica (Mica) and N-octadecyl-N’-octadecyl imidazolium iodide (IM) modified mica (Mica-IM), characterized it, and applied it at 0.1–5.0 wt.% loading to prepare epoxy nanocomposites. Dynamic differential scanning calorimetry (DSC) was carried out for the analysis of the cure potential and kinetics of epoxy/Mica and epoxy/Mica-IM curing reaction with amine curing agents at low loading of 0.1 wt.% to avoid particle...
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On delay differential equations with boundary conditions
PublikacjaPodano warunki na istnienie rozwiązania zagadnienia brzegowego typu opóźnionego, zakładając pewne warunki monotoniczności funkcji występującej po prawej stronie naszego zagadnienia. Pokazano, że dwa ciągi monotoniczne są zbieżne do rozwiązania dokładnego.
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Multiple solutions for a class of boundary-value problems with deviating arguments and integral boundary conditions
PublikacjaPraca dotyczy istnienia dodatnich rozwiązań dla równań różniczkowych rzędu drugiego z całkowymi warunkami brzegowymi i z odchylonymi argumentami typu wyprzedzonego. Korzystając z tw. Avery-Petersona dla stożków, podano warunki dostateczne na istnienie trzech dodatnich rozwiazań w/w problemów. Podano przykład pokazujący iż przyjęte załozenia są spełnione.
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Estimating and Forecasting GDP in Poland with Dynamic Factor Model
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Fractional differential equations with deviating arguments
PublikacjaDla równań różniczkowych typu ułamkowego, zostały podane warunki dostateczne na istnienie jednego rozwiązania lub rozwiazań ekstremalnych. Nierówności różniczkowe są też doskutowane.
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Differential-algebraic systems with initial time difference
PublikacjaO funkcjach występujących w zagadnieniu zakładano m.in. warunek typu Perrona uzyskując pewne wyniki porównawcze dla zagadnień różniczkowo-algebraicznych startujących z różnych punktów początkowych. Wyniki porównawcze uzyskano również wykorzystując odpowiednią funkcję typu Lapunova. Sformułowane zostały warunki dostateczne na to aby rozwiązanie było stabilne.
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Boundary value problems for dynamic equations with advanced arguments on time scales
PublikacjaPraca dotyczy równań i nierówności dynamicznych z wyprzedzonym argumentami. Przedmiotem badań były problemy istnienia rozwiązań równań dynamicznych. Sformułowano warunki dostatczne na istnienie jedynego rozwiązania w odpowiednim obszarze ograniczonym przez górne i dolne rozwiązanie.
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Boundary value problems with advanced arguments involving upper and lower solutions in reverse order
PublikacjaPraca dotyczy problemów brzegowych dla równań różniczkowo-całkowych pierwszego rzędu z argumentami wyprzedzonymi. Podano wystarczające warunki, dla których problemy dotyczące takich równań mają rozwiązania minimalne i maksymalne w odpowiadającym obszarze ograniczonym przez rozwiązania górne i dolne. W celu uzyskania wyników zastosowano nową metodę opartą na twierdzeniu Heikkila-Lakshmikantham'a. Wyniki zilustrowano na przykładzie.
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Method of lines for Hamilton-Jacobi functional differential equations.
PublikacjaInitial boundary value problems for nonlinear first order partial functional differential equations are transformed by discretization in space variables into systems of ordinary functional differential equations. A method of quasi linearization is adopted. Suffcient conditions for the convergence of the method of lines and error estimates for approximate solutions are presented. The proof of the stability of the diffrential difference...
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Positive solutions to third-order impulsive Sturm-Liouville boundary value problems with deviated arguments and one-dimensional p-Laplacian
PublikacjaBadane są równania różniczkowe z impulsami trzeciego rzędu z odchylonymi argumentami przy zadanych warunkach brzegowych typu Sturma-Liouvilla. Podano warunki dostateczne na istnienie dodatnich rozwiązań takich problemów stosując twierdzienie o punkcie stałym dla stożków.
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On neutral differential equations and the monotone iterative method
PublikacjaThe application of the monotone iterative method to neutral differential equations with deviating arguments is considered in this paper. We formulate existence results giving sufficient conditions which guarantee that such problems have solutions. This approach is new and to the Authors' knowledge, this is the first paper when the monotone iterative method is applied to neutral first-order differential equations with deviating...
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Monotone iterative method to second order differential equations with deviating arguments involving Stieltjes integral boundary conditions
PublikacjaWe use a monotone iterative method for second order differential equations with deviating arguments and boundary conditions involving Stieltjes integrals. We establish sufficient conditions which guarantee that such problems have extremal solutions in the corresponding region bounded by lower and upper solutions. We also discuss the situation when problems have coupled quasi-solutions. We illustrate our results by three examples.
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First-order differential equations with nonlocal boundary conditions
PublikacjaWe study a first-order boundary value problem subject to some boundary conditions given by Riemann-Stieltjes integrals. Using a monotone iterative method, we formulate sufficient conditions which guarantee the existence of extremal or quasi-solutions in the corresponding region bounded by upper and lower solutions of our problems. The case when a unique solution exists is also investigated. Some examples are given to illustrate...
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Systems of boundary value problems of advanced differential equations
PublikacjaThis paper considers the existence of extremal solutions to systems of advanced differential equations with corresponding nonlinear boundary conditions. The monotone iterative method is applied to obtain the existence results. An example is provided for illustration.
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Studies on formation and percolation in ionic liquids/TX-100/water microemulsions
PublikacjaTernary microemulsion systems of H2O/Triton X-100/[BMIM][Tf2N], and H2O/Triton X-100/[BMIM][PF6] were prepared, compared and characterized for phase behavior for different water/surfactant ratios, at 25 °C. It was found that a change of an anion structure in the ionic liquids determines the total monophasic area of the systems. A liquid crystalline mesophase was detected in H2O/Triton X-100/[BMIM][PF6]. The microemulsion domains...
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Recent Developments in Data-Assisted Modeling of Flexible Proteins
PublikacjaMany proteins can fold into well-defined conformations. However, intrinsically-disordered proteins (IDPs) do not possess a defined structure. Moreover, folded multi-domain proteins often digress into alternative conformations. Collectively, the conformational dynamics enables these proteins to fulfill specific functions. Thus, most experimental observables are averaged over the conformations that constitute an ensemble. In this...
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Micellar aggregation of Triton X-100 surfactant in imidazolium ionic liquids
PublikacjaIn this work we investigated aggregation behavior of a nonionic surfactant Triton X-100 in eighteen imidazolium ionic liquids (ILs) with two to eight carbon atoms in cations alkyl chain, namely 1-ethyl-3-methylimidazolium, [EMIM], 1-butyl-3-methylimidazolium, [PrMIM], 3-methyl-1-propylimidazolium, [BMIM], 1-hexyl-3-methylimidazolium, [PMIM], 3-methyl-1-pentyl-imidazolium, [HMIM], and 1-octyl-3-methylimidazolium, [OMIM], and with...
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Magnetic deep eutectic solvents – Fundamentals and applications
PublikacjaMagnetic deep eutectic solvents (MDES), a relatively new subclass of conventional deep eutectic solvents (DES) containing additional paramagnetic components in their structure. MDES exhibit a strong response toward external magnetic fields, thus they can improve many industrial and analytical applications. In addition, this new group of solvents present unique physicochemical properties that can be easily tuned by selecting the...
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Surface active fatty acid ILs: Influence of the hydrophobic tail and/or theimidazolium hydroxyl functionalization on aggregates formation
PublikacjaNine structurally-related fatty acid ionic liquids have been prepared and their thermal behavior as well as their ability to self-assemble in water has been investigated. The thermal properties were studied by thermal gravimetric analysis (TGA) and differential scanning calorimetry (DSC), while the aggregation behavior was analyzed by tensiometry, isothermal titration calorimetry (ITC), conductometry, dynamic light scattering (DLS),...
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Influence of Urea and Dimethyl Sulfoxide on K-Peptide Fibrillation
PublikacjaProtein fibrillation leads to formation of amyloids—linear aggregates that are hallmarks of many serious diseases, including Alzheimer’s and Parkinson’s diseases. In this work, we investigate the fibrillation of a short peptide (K-peptide) from the amyloidogenic core of hen egg white lysozyme in the presence of dimethyl sulfoxide or urea. During the studies, a variety of spectroscopic methods were used: fluorescence spectroscopy...
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Foliate-Targeting Quantum Dots-β-Cyclodextrin Nanocarrier for Efficient Delivery of Unsymmetrical Bisacridines to Lung and Prostate Cancer Cells
PublikacjaTargeted drug delivery by nanocarriers molecules can increase the efficiency of cancer treatment. One of the targeting ligands is folic acid (FA), which has a high affinity for the folic acid receptors, which are overexpressed in many cancers. Herein, we describe the preparation of the nanoconjugates containing quantum dots (QDs) and β-cyclodextrin (β-CD) with foliate-targeting properties for the delivery of anticancer compound...
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A benchmark for particle shape dependence
PublikacjaParticle shape is a major parameter for the space-filling and strength properties of granular materials. For a systematic investigation of shape effect, a numerical benchmark test was set up within a collaborative group using different numerical methods and particles of various shape characteristics such as elongation, angularity and nonconvexity. Extensive 2D shear simulations were performed in this framework and the shear strength...
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A general approach to study molecular fragmentation and energy redistribution after an ionizing event
PublikacjaWe propose to combine quantum chemical calculations, statistical mechanical methods, and photoionization and particle collision experiments to unravel the redistribution of internal energy of the furan cation and its dissociation pathways. This approach successfully reproduces the relative intensity of the different fragments as a function of the internal energy of the system in photoelectron–photoion coincidence experiments and...