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Wyniki wyszukiwania dla: TOLERANT QUANTUM COMPUTATION
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Electromodulation of monomer and excimer phosphorescence in vacuum-evaporated films of platinum (II) complexes of 1,3-di(2-pyridyl)benzenes
PublikacjaElectric field-modulated photoluminescence (EML) measurements are presented for vacuum-evaporated films of cyclometallated Pt (II) complexes of 1,3-di(2-pyridyl) benzenes used as triplet emitters in organic light-emitting diodes (OLEDs). The excimer phosphorescence is quenched by the external electric field of 2.5 MV/cm up to 25% but the same effect on monomer phosphorescence is one order of magnitude smaller. The higher quenching...
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Self-healing mechanism of metallopolymers investigated by QM/MM simulations and Raman spectroscopy
PublikacjaThe thermally induced self-healing mechanisms in metallopolymers based on bisterpyridine complexes of iron(II) sulfate and cadmium(II) bromide, respectively, were studied by means of combined quantum mechanical/molecular mechanical (QM/MM) simulations and Raman spectroscopy. Two possible healing schemes, one based on a decomplexation of the cross-linking complexes and a second one relying on the dissociation of ionic clusters,...
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Non-Perfect Propagation of Information to a Noisy Environment with Self-Evolution
PublikacjaWe study the non-perfect propagation of information for evolving a low-dimensional environment that includes self-evolution as well as noisy initial states and analyse the interrelations between the degree of objectivization and environment parameters. In particular, we consider an analytical model of three interacting qubits and derive its objectivity parameters. The numerical analysis shows that the quality of the spectrum broadcast...
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Guanosine Dianions Hydrated by One to Four Water Molecules
PublikacjaIntermolecular interactions such as those present in molecule···water complexes may profoundly influence the physicochemical properties of molecules. Here, we carried out an experimental–computational study on doubly deprotonated guanosine monophosphate···water clusters, [dGMP – 2H]2–·nH2O (n = 1–4), using a combination of negative anion photoelectron spectroscopy (NIPES) with molecular dynamics (MD) and quantum chemical (QM) calculations....
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Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air
PublikacjaPartition coefficients define how a solute is distributed between two immiscible phases at equilibrium. The experimental estimation of partition coefficients in a complex system can be an expensive, difficult, and time-consuming process. Here a computational strategy to predict the distributions of a set of solutes in two relevant phase equilibria is presented. The octanol/water and octanol/air partition coefficients are predicted...
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Photophysical processes in the selected white organic light-emitting diodes
PublikacjaThe first part discusses history of organic emitters, the scope of the work, phenomena in molecular systems, types of architectures in OLEDs, types of OLEDs emitting white light with examples from the literaturę and a description of the parameters chcracterizing LEDs. The second part describes materials, production of the samples, the measurement systems and results. In chapter 8.1 the results for the OLEDs based on emission from...
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Deep learning for ultra-fast and high precision screening of energy materials
PublikacjaSemiconductor materials for energy storage are the core and foundation of modern information society and play important roles in photovoltaic system, integrated circuit, spacecraft technology, lighting applications, and other fields. Unfortunately, due to the long experiment period and high calculation cost, the high-precision band gap (the basic characteristic parameter) of semiconductor is difficult to obtain, which hinders the...
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Multiple Cues-Based Robust Visual Object Tracking Method
PublikacjaVisual object tracking is still considered a challenging task in computer vision research society. The object of interest undergoes significant appearance changes because of illumination variation, deformation, motion blur, background clutter, and occlusion. Kernelized correlation filter- (KCF) based tracking schemes have shown good performance in recent years. The accuracy and robustness of these trackers can be further enhanced...
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The complete lists of 1D reversible number-conserving cellular automata with radius one of up to 7 states
Dane BadawczeThis dataset contains complete lists of all one-dimensional reversible number-conserving k-ary cellular automata with radius one of up to 7 states, i.e. with state sets {0,1}, {0,1,2}, {0,1,2,3}, {0,1,2,3,4}, {0,1,2,3,4,5} and {0,1,2,3,4,5,6}.
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Estimates for minimal number of periodic points for smooth self-maps of simply-connected manifolds
Dane BadawczeWe consider a closed smooth connected and simply-connected manifold of dimension at least 4 and its self-map f. The topological invariant Dr[f] is equal to the minimal number of r-periodic points in the smooth homotopy class of f. We assume that r is odd and all coefficients b(k) of so-called periodic expansion of Lefschetz numbers of iterations are...
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Stable nanoconjugates of transferrin with alloyed quaternary nanocrystals Ag–In–Zn–S as a biological entity for tumor recognition
PublikacjaOne way to limit the negative effects of anti-tumor drugs on healthy cells is targeted therapy employing functionalized drug carriers. Here we present a biocompatible and stable nanoconjugate of transferrin anchored to Ag-In-Zn-S quantum dots modified with 11-mercaptoundecanoic acid (Tf-QD) as a drug carrier versus typical anticancer drug, doxorubicin. Detailed investigations of Tf-QD nanoconjugates without and with doxorubicin...
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Improving the Efficiency of Semitransparent Perovskite Solar Cell Using Down-Conversion Coating
PublikacjaPerovskite solar cells (PSCs) have demonstrated exceptional efficiency, yet surpassing theoretical performance limits requires innovative methodologies. Among these, down-conversion techniques are pivotal in reducing optical losses and enhancing energy conversion efficiency. In this study, optical modeling, including a generalized transfer-matrix optical model, was employed to meticulously assess optical losses in semitransparent...
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Dynamic modeling of non-cylindrical curved viscoelastic single-walled carbon nanotubes based on the second gradient theory
PublikacjaThis paper is devoted to the theoretical study of the dynamic response of non-cylindrical curved viscoelastic single-walled carbon nanotubes (SWCNTs). The curved nanotubes are largely used in many engineering applications, but it is challenging in understanding mechanically the dynamic response of these curved SWCNTs when considering the influences of the material viscosity. The viscoelastic damping effect on the dynamic response...
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The importance of anchoring ligands of binuclear sensitizers on electron transfer processes and photovoltaic action in dye-sensitized solar cells
PublikacjaThe relatively low photon-to-current conversion efficiency of dye-sensitized solar cells is their major drawback limiting widespread application. Light harvesting, followed by a series of electron transfer processes, is the critical step in photocurrent generation. An in-depth understanding and fine optimization of those processes are crucial to enhance cell performance. In this work, we synthesize two new bi-ruthenium sensitizers...
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Band Gap Engineering toward Semimetallic Character of Quinone-Rich Polydopamine
PublikacjaSemiconductor|melanin interfaces have received increasingly more attention in the fields of photocatalysis and applied electrochemistry because of their facile synthesis, unique electrical properties, and strong capability toward photosensitization. In this work, we describe the electropolymerization of quinone-rich polydopamine (PDA) on the surface of hydrogenated TiO2 nanotubes with enhanced photoactivity in the visible spectrum....
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Elucidating photoluminescent properties of Eu‐doped Ca–Al–Si–O(–N) glasses and the local structures of Eu ions
PublikacjaEuropium (Eu) ion–doped luminescent materials have attracted considerable attention for their numerous optical applications. Eu-doped Ca–Al–Si–O(–N) glasses were synthesized from a mixture of oxynitride glasses and Eu2O3 powder using a standard melt-quenching technique in a radiofrequency furnace. The source Eu trivalent ions primarily changed to Eu2+ during melting, and the ratio of Eu2+ ions increased with an increase in Eu content...
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Fabrication of high-density nitrogen-vacancy (NV) center-enriched diamond particles through methyl trityl amine (C20H19N) seeding
PublikacjaDiamond particles (DPs) show promise for advanced applications in bioimaging and quantum sensing due to the presence of defect centers. This work reports a unique growth process for diamond particles composed of nitrogen-vacancy centers (NV-DPs) using a methyl trityl amine (C20H19N) diamondoid seed, which acts as a nitrogen source for NV creation. Growth was performed via microwave plasma-assisted chemical vapor deposition in a...
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New Screening Protocol for Effective Green Solvents Selection of Benzamide, Salicylamide and Ethenzamide
PublikacjaNew protocol for screening efficient and environmentally friendly solvents was proposed and experimentally verified. The guidance for solvent selection comes from computed solubility via COSMO-RS approach. Furthermore, solute-solvent affinities computed using advanced quantum chemistry level were used as a rationale for observed solvents ranking. The screening protocol pointed out that 4-formylomorpholine (4FM) is an attractive...
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Waterborne polyesters partially based on renewable resources
PublikacjaA new experimental approach for preparing biobased, water-soluble polyesters via titanium(IV) n-butoxide-catalyzed bulk polycondensation is presented. In the described method polymers were obtained from isosorbide, maleic anhydride and poly(ethylene glycol). The chemical structure of the synthesized polyesters was confirmed using 2D NMR spectroscopy and by titration methods. Careful analysis of 2D NMR spectra viz. Correlation Spectra...
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Superconductivity and appearance of negative magnetocaloric effect in Ba1–xKxBiO3 perovskites, doped by Y, La and Pr
PublikacjaRecently, substantial attention is given to the bismuth-based perovskites for variety of electronic applications. The perovskites are used for quantum dots displays (QLED), photovoltaic systems and superconducting (HTS) devices. In this paper comprehensive studies of Ba1–xKxBi1–yREyO3 bismuth perovskites (REBKBO, RE = Y , La or Pr) are reported. Apart from structural anomalous behavior at low temperatures, the electronic properties...
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Nonlocal elasticity analysis of moderately thick porous functionally graded plates in a hygro-thermal environment
PublikacjaThis work performs a novel quasi three-dimensional (3D) bending analysis for a moderately thick functionally graded material (FGM) made of nanoceramics and metal powders, in presence of porosities due to some incorrect manufacturing processes. Such porosities can appear within the plate in two forms, namely, even and uneven distributions. The modeled system assumes a polymer matrix where both shear and transverse factors coexist....
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Absolute Photoabsorption Cross-Sections of Methanol for Terrestrial and Astrophysical Relevance
PublikacjaWe investigate the methanol absorption spectrum in the range 5.5–10.8 eV to provide accurate and absolute cross-sections values. The main goal of this study is to provide a comprehensive analysis of methanol electronic-state spectroscopy by employing high-resolution vacuum ultraviolet (VUV) photoabsorption measurements together with state-of-the-art quantum chemical calculation methods. The VUV spectrum reveals several new features...
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Structural Insights into New Bi(III) Coordination Polymers with Pyridine-2,3-Dicarboxylic Acid: Photoluminescence Properties and Anti-Helicobacter pylori Activity
PublikacjaTwo novel coordination polymers, [Bi2(2,3pydc)2(2,3pydcH)2(H2O)]n(1) and {(Et3NH)2[Bi(2,3pydc)(2,3pydcH)Cl2]}n(2) were prepared using as a prolinker pyridine-2,3-dicarboxylic acid(2,3pydcH2). The obtained complexes were fully characterized by elemental analysis, TG/DTG, FT-IR,solid-state photoluminescence, DFT calculations and single-crystal X-ray diffraction. The obtainedcomplexes crystallized in the triclinicP-1 space group (1)...
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Properties of sensorless control systems based on multiscalar models of the induction motor
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Broken rotor symptoms in the sensorless control of induction machine
PublikacjaThe purpose of this paper is to investigate the need for a universal method for sensorless controlled induction motor drive diagnosis. The increasing number of sensorless control systems in industrial applications require a universal method for the drive diagnosis, which provides reliable diagnostic reasoning independent of control system structure and state variables measurement or estimation method.Simulations and experimental...
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Computer simulation of induction heating system with series inverter
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The stand for determining of thermal‐electrical material properties of induction heated charge
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The optimisation of induction heating system based on multiquadric function approximation
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Induction heating in estimation of thermal properties of conductive materials
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Design advantages and analysis of a novel five-phase doubly-fed induction generator
PublikacjaPurpose – The purpose of this paper is to provide an analysis of the performance of a new five-phase doubly fed induction generator (DFIG). Design/methodology/approach – This paper presents the results of a research work related to fivephase DFIG framing, including the development of an analytical model, FEM analysis as well as the results of laboratory tests of the prototype. The proposed behavioral level analytical model is based...
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Improved methods for stator end winding leakage inductance calculation
PublikacjaCalculating the stator end-winding leakage inductance, taking into account the rotor, is difficult due to the irregular shape of the end-winding. The end-winding leakage may distribute at the end of the active part and the fringing flux of the air gap. The fringing flux belongs to the main flux but goes into the end-winding region. Then, not all the magnetic flux occurring in the end region is the end-winding leakage flux. The...
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Slot harmonics in cage motors due to saturation of a main magnetic circuit
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Properties of sensorless control systems based on multiscalar models of the induction motors
PublikacjaCelem artykułu jest opracowanie ogólnych postaci multiskalarnych modeli silnika indukcyjnego i zaprezentowanie właściwości bezczujnikowych układów regulacji opartych na takich modelach. Poprzednio prezentowane modele multiskalarne silnika indukcyjnego oparte na wykorzystaniu wektorów prądu stojana i strumienia wirnika zostły uogólnione jako model typu 1. Nowy model typu 2 zdefiniowany został dla wektora prądu stojana i innego wektora...
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Broken rotor bar impact on sensorless control of induction machine
PublikacjaThe aim of the research is analysis of the sensorless control system of induction machine with broken rotor for diagnostic purposes. Increasing popularity of sensorless controlled variable speed drives requires research in area of reliability, range of stable operation, fault symptoms and application of diagnosis methods. T transformation (Cunha et al.,2003) used for conversion of instantaneous rotor currents electrical circuit...
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Nonlinear secondary arc model use for evaluation of single pole auto-reclosing effectiveness
PublikacjaPurpose – The purpose of this paper is to discuss two evaluation methods of single pole autoreclosing process effectiveness in HV transmission lines. Secondary arc current and recovery voltage results obtained by load flow calculation are compared to the results obtained by the time domain simulations. Moreover, a nonlinear secondary arc implementation is presented. Design/methodology/approach – A computer simulation studies were...
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Speed sensorless induction motor drive with motor choke and predictive control
PublikacjaArtykuł przedstawia układ napędowy z silnikiem indukcyjnym, zasilanym z falownika napięcia przy zastosowaniu filtru silnikowego. System pracuje bez czujnika prędkości obrotowej. Głównym aspektem pracy jest zwrócenie uwagi na to, że zastosowanie dławika silnikowego wymaga odpowiednich zmian w strukturach sterowania i estymacji zmiennych. Zaproponowano odpowiednie rozwiązanie dla układu napędowego z regulatorem predykcyjnym prądu....
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Representation of magnetic hysteresis in a circuit model of a single-phase transformer
PublikacjaThe paper presents a mathematical model for the hysteresis phenomenon in a multi-winding single-phase core type transformer. The set of loop differential equations was developed for K-th winding transformer model where the flux linkages of each winding includes a flux common Φ to all windings as function of magneto motive force Θ of all windings. The first purpose of this paper is to determine a hysteresis nonlinearity involved...
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Implementation of power transformer controlled switching algorithm
PublikacjaThe article presents two new algorithms of controlled switching the power transformer. The main aim of the paper is to obtain formulas that determine the moments of closing of the circuit breaker poles. The study contains projects of control systems for both algorithms. Mathematical formulas for the time instants of the breaker poles closing were developed on the basis of electric circuit theory and magnetic circuit theory. The...
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Magnetic and infrared thermography methods in detection of antipersonnel landmines
PublikacjaIn this paper the two alternative methods of antipersonnel landmine detection are shown: the magnetic method and the active infrared thermography. The experimental results of the detection of selected, plastic mines using both methods are also presented.
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State and control system variables sensitivity to rotor asymmetry in the induction motor drive
PublikacjaThe aim of this paper is to undertake analysis and comparison of the closed-loop and sensorless control systems sensitivity to the broken rotor for diagnostic purposes. For the same vector control system induction motor drive analysis concerning operation with the asymmetric motor, broken rotor fault handling and operation were investigated. Reliability, range of stable operation, fault symptoms and application of diagnosis methods...
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Applying of thin plate boundary condition in analysis of ship’s magnetic field
PublikacjaThis paper presents computer simulations of ship’s magnetic signatures using a new thin plate boundary condition implemented in the Opera-3d 18R2 program. The paper aims to check the magnetic signatures’ numerical calculations precision of objects using the thin plate boundary conditions and analysis of the magnetic signature of ship with a degaussing system and with and without inner devices.
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Research of leakage magnetic field in deenergized transformer
PublikacjaThe article deals with the issue of the numerical analysis of the magnetic field occurring around the transformer after it has been powered down. The main goal of this analysis was to examine if it is possible to identify the residual fluxes in the transformer legs based on this fields’ measurements. It was also intended to determine the type and the location of magnetic sensors. Numerical analysis of the magnetic field was performed....
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Magnetic and capacitive couplings influence on power losses in double circuit high voltage overhead transmission line
PublikacjaPurpose – The paper aims to discuss problems of power and energy losses in a double-circuit overhead transmission line. It was observed from energymeters’ readings, that in such a line, active power losses can be measured as “negative”. The “negative” active power losses appear when the active power injected to the circuit is lower than the active power received at the circuit end. The purpose of this paper is to explain this phenomenon. Theoretical...
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Modelling charge transfer processes in C2+ -tetrahydrofuran collision for ion-induced radiation damage in DNA building blocks
PublikacjaInvestigations of collision-induced processes involving carbon ions and molecules of biological interest in particular DNA building blocks, are crucial to model the effect of radiation on cells in order to improve medical treatments for cancer therapy. Using carbon ions appears to be one of the most efficient ways to increase biological effectiveness to damage cancerous cells by irradiating deep-seated tumors. Therefore, interest...
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Interactions of protons with furan molecules studied by collision-induced emission spectroscopy at the incident energy range of 50–1000 eV
PublikacjaInvestigations of the ion-molecule reactions provide insight into many fields ranging from the stellar wind interaction with interstellar media, up to medicine and industrial applications. Besides the applications, the understanding of these processes is itself a problem of fundamental importance. Thus, interactions of protons with the gas-phase furan molecules have been investigated for the first time in the energy range of 50–1000...
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Tuning the ferromagnetic phase in the CDW compound SmNiC2 via chemical alloying
PublikacjaWe report a study on tuning the charge density wave (CDW) ferromagnet SmNiC2 to a weakly coupled superconductor by substituting La for Sm. X-ray diffraction measurements show that the doped compounds obey Vegard’s law, where La (Lu) alloying expands (shrinks) the lattice due to its larger (smaller) atomic size than Sm. In the series Sm1−xLaxNiC2, CDW transition (TCDW =148K) for SmNiC2 is gradually suppressed, while the ferromagnetic...
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Texture or Linker? Competitive Patterning of Receptor Assembly toward Ultra-Sensitive Impedimetric Detection of Viral Species at Gold-Nanotextured Titanium Surfaces
PublikacjaIn this work, we study the electrodes with a periodic matrix of gold particles pattered by titanium dimples and modified by 3-mercaptopropionic acid (MPA) followed by CD147 receptor grafting for specific impedimetric detection of SARS-CoV-2 viral spike proteins. The synergistic DFT and MM/MD modeling revealed that MPA adsorption geometries on the Au–Ti surface have preferential and stronger binding patterns through the carboxyl...
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Laser-Induced Graphitization of Polydopamine on Titania Nanotubes
PublikacjaSince the discovery of laser-induced graphite/graphene, there has been a notable surge of scientific interest in advancing diverse methodologies for their synthesis and applications. This study focuses on the utilization of a pulsed Nd:YAG laser to achieve graphitization of polydopamine (PDA) deposited on the surface of titania nanotubes. The partial graphitization is corroborated through Raman and XPS spectroscopies and supported...
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pH-Responsive Drug Delivery Nanoplatforms as Smart Carriers of Unsymmetrical Bisacridines for Targeted Cancer Therapy
PublikacjaSelective therapy and controlled drug release at an intracellular level remain key challenges for effective cancer treatment. Here, we employed folic acid (FA) as a self-navigating molecule in nanoconjugates containing quantum dots (QDs) and β-cyclodextrin (β-CD) for the delivery of antitumor unsymmetrical bisacridine compound (C-2028) to lung and prostate cancers as well as normal cells. The bisacridine derivative can form the...
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Acid–Base Equilibrium and Self-Association in Relation to High Antitumor Activity of Selected Unsymmetrical Bisacridines Established by Extensive Chemometric Analysis
PublikacjaUnsymmetrical bisacridines (UAs) represent a novel class of anticancer agents previously synthesized by our group. Our recent studies have demonstrated their high antitumor potential against multiple cancer cell lines and human tumor xenografts in nude mice. At the cellular level, these compounds affected 3D cancer spheroid growth and their cellular uptake was selectively modulated by quantum dots. UAs were shown to undergo metabolic...