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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublikacjaThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
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Solid Phase Synthesis and Biological Activity of Tuftsin Conjugates
PublikacjaNew tuftsin/retro-tuftsin conjugates were designed and synthesized using a classical fluorenylmethoxycarbonyl (Fmoc) solid phase procedure. All the peptide conjugates were divided into three series: 1,4-dihydroxyanthraquinone (type A), 1-nitroacridine (type B), and 4-carboxyacridone (type C) derivatives. In type A conjugates, the N-terminal group of the peptide chain is directly connected to the anthraquinone ring at C1 (Scheme...
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Theoretical studies of fragmentation processes of neutral and ionized furan molecule
PublikacjaThis PhD thesis focuses on the fragmentation mechanism of the furan molecule in the gas phase. The approach taken in this work comprised of three theoretical methodologies considering the dynamical, energetical and entropic aspects of the studied process. First, molecular dynamics simulations were performed. Next, the potential energy surfaces were explored at the DFT/B3LYP level of theory. Finally, a new statistical Microcanonical...
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Ionic conductivity behavior by activated hopping conductivity (AHC) of barium aluminoborosilicate glass–ceramic system designed for SOFC sealing
PublikacjaNon-conducting BaO-B2O3-Al2O3-SiO2 parent glasses designed for solid oxide fuel cell (SOFC) sealing applications were prepared using the melt-quenching technique. The glass formation region was determined according to phase equilibrium relations and was found to be in the composition range 70BaO-(x)Al2O3-(10−x)B2O3-20SiO2 where 3.0 < x < 6.0 wt%. The conductivity values obtained conductivity ranged from 10−5 to 10−10 S/cm at temperatures...
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Influence of Fragment Size on the Time and Temperature of Ethylene Vinyl Acetate Lamination Decomposition in the Photovoltaic Module Recycling Process
PublikacjaPhotovoltaics is a commercially available and reliable technology with significant potential for long-term growth in nearly all global regions. Several research institutes and companies are working on recycling concepts for thin film modules and modules with crystalline cells. The establishment of recycling and reuse technologies appropriate and applicable to all photovoltaics (PV) modules is a key issue to be addressed as part...
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Wideband Model Order Reduction for Macromodels in Finite Element Method
PublikacjaAbstract: This paper presents a novel algorithm for accelerating 3D Finite Element Method simulations by introducing macromodels created in local model order reduction in the selected subdomains of the computational domain. It generates the projection basis for a compact system of equations associated with a separate subdomain. Due to non-linear frequency dependency in the Right Hand Side (RHS), the standard reduction methods do...
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Analysis and comparision of safety of children and adult passanger in car based on crash tests results
PublikacjaThis paper presents analysis and comparision of safety of children and adult passanger in car based on crash tests results. The car crash test with four dummies, including two car seats allowed a direct comparison of the security under the same conditions of children and passengers directly to the car seat. Analysis of acceleration and video from the test allows to understand the phenomena during the collision, the air bags influence,...
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Processing of Marine Satellite Data in WEB-BASED GIS
PublikacjaGIS systems are important modern word. They allow to quickly analyse and corelate various data bound to their geographical context. The paper describes Web-base GIS with ability to integrate and analyse data from many sources such as: satellite imagery, threat simulation models, marine vessels Automatic Identification System, raster and vector topographic charts. Some details of system architecture and implementation are presented...
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3D Computer Model of the Hip Joint Cartilage
PublikacjaThis paper presents 3D computer model of the hip joint cartilage in the ANSYS program. Model is made on the basis of anatomy and collected data on the material constants of bone and cartilage components. Analysis and comparison of biochemical model, viscoelastic and molecular mixed - aggregation serves to facilitate the creation of the next model of reality, which could be used in the design of joint prostheses. The correctness...
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Wideband Macromodels in Finite Element Method
PublikacjaThis letter proposes a novel projection technique for accelerating Finite Element Method simulations. The algorithm is based on the Second-order Arnoldi Method for Passive Order Reduction (SAPOR). It involves generation of two projection bases and thanks to this it is applicable to the systems of equations, which contain the quadratic frequency-dependence in the input term, that arise when projection is applied locally in the selected...
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Model Order Reduction for Problems With Dispersive Surface Boundary Conditions
PublikacjaThis letter proposes a new scheme for reduced-order finite-element modeling of electromagnetic structures with nonlinear, dispersive surface boundary conditions, which optimally exploits the numerically stable and efficient MOR framework for second-order systems provided by SAPOR method. The presented results of numerical experiments for an example of a waveguide filter demonstrate the superior accuracy of the resulting reduced models...
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The possibility of use keratin products in various branches of industry
PublikacjaBird's feather, the main by-product of the poultry industry, are not enough utilized and negatively influencing the environment. They contain large amount of keratin, the protein with high cystine content. The aim of our work was to obtain hydrolysates and isolates of keratin, which can be used in various areas of food, cosmetics, pharmaceutical industry and as animal feed. Keratin can be hydrolyzed and extracted from feather after...
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Interference aware Bluetooth scatternet (Re)configuration algorithm IBLUEREA
PublikacjaThe paper presents a new algorithm IBLUEREA, which enables reconfiguration of Bluetooth (BT) scatternet to reduce mutual interferences between BT and Wi-Fi (IEEE 802.11b) networks operating on the same area. IBLUEREA makes use of proposed procedure for modelling ISM environment around a given BT scatternet. The mechanism is based on estimation of the probabilities of successful (unsuccessful) frame transmissions. This determination...
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Laboratory Stand for Wideband Analysis Radiocommunication Signals
PublikacjaA laboratory stand for wideband analysis radiocommunication signals is presented in the paper. The stand is designed for signals acquisition in wide spectrum and research a field of digital signal processing. Procedures used for simultaneous acquiring many frequency channels in selected wide band are described. The method of detection of direct sequence spread spectrum signals (DS SS) which power spectral density is lower than...
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Laboratory stand for wideband analysis radiocommunication signals
PublikacjaA laboratory stand for wideband analysis radiocommunication signals is presented in the paper. The stand is designed for signals acquisition in wide spectrum and research a field of digital signal processing. Procedures used for simultaneous acquiring many frequency channels in selected wide band are described. The method of detection of direct sequence spread spectrum signals (DS SS) which power spectral density is lower than...
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Trees having many minimal dominating sets
PublikacjaWe provide an algorithm for listing all minimal dominating sets of a tree of order n in time O(1.4656^n). This leads to that every tree has at most 1.4656^n minimal dominating sets. We also give an infinite family of trees of odd and even order for which the number of minimal dominating sets exceeds 1.4167^n, thus exceeding 2^{n/2}. This establishes a lower bound on the running time of an algorithm for listing all minimal dominating...
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Graphs with isolation number equal to one third of the order
PublikacjaA set D of vertices of a graph G is isolating if the set of vertices not in D and with no neighbor in D is independent. The isolation number of G, denoted by \iota(G) , is the minimum cardinality of an isolating set of G. It is known that \iota(G) \leq n/3 , if G is a connected graph of order n, , distinct from C_5 . The main result of this work is the characterisation of unicyclic and block graphs of order n with isolating number...
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Specyfika pomiarów rezystancji udarowej uziemień odgromowych
PublikacjaUziomy odgromowe przeznaczone do odprowadzania prądów piorunowych powinny być sprawdzane w warunkach udarowych. Zaletą metod udarowych jest możliwość wykonywania pomiarów bez rozkręcania zacisków kontrolnych. Zaprezentowano wyniki pomiarów rezystancji przy udarach prądowych o amplitudach od 1 do setek A oraz czasach czoła 1 i 4 ćs. Przeprowadzono dyskusję wpływu rozmieszczenia sond pomiarowych na rezultaty badań oraz możliwości...
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Multi-objective optimization for assessment of topological modification in UWB antennas
PublikacjaThis paper addresses an issue of systematic and rigorous assessment of effects of topological modifications on the performance of compact UWB antennas. Application of fast surrogate-assisted multi-objective optimization procedures allows us for obtaining, in a practically acceptable timeframe, a set of designs representing the best possible trade-offs between conflicting objectives (here, antenna size minimization and reduction...
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Why is the cubic structure preferred in newly formed ice?
PublikacjaMolecular dynamics was employed to explain the preference for the cubic structure in newly formed crystals of ice. The results showed that in supercooled liquid water the molecules connected by hydrogen bonds are more likely to adopt relative orientations similar to the ones characteristic for cubic ice. The observed preference for certain relative orientations of molecules in the hydrogen-bonded pairs results in the higher probability...
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Comparison of two doses of intravenous temsirolimus in patients with relapsed/refractory mantle cell lymphoma
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Rendezvous of Distance-Aware Mobile Agents in Unknown Graphs
PublikacjaWe study the problem of rendezvous of two mobile agents starting at distinct locations in an unknown graph. The agents have distinct labels and walk in synchronous steps. However the graph is unlabelled and the agents have no means of marking the nodes of the graph and cannot communicate with or see each other until they meet at a node. When the graph is very large we want the time to rendezvous to be independent of the graph size...
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Greedy Multipoint Model-Order Reduction Technique for Fast Computation of Scattering Parameters of Electromagnetic Systems
PublikacjaThis paper attempts to develop a new automated multipoint model-order reduction (MOR) technique, based on matching moments of the system input–output function, which would be suited for fast and accurate computation of scattering parameters for electromagnetic (EM) systems over a wide frequency band. To this end, two questions are addressed. Firstly, the cost of the wideband reduced model generation is optimized by automating a...
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Effect of Chitosan Solution on Low-Cohesive Soil’s Shear Modulus G Determined through Resonant Column and Torsional Shearing Tests
PublikacjaIn this study the effect of using a biopolymer soil stabilizer on soil stiffness characteristics was investigated. Chitosan is a bio-waste material that is obtained by chemical treatment of chitin (a chemical component of fungi or crustaceans’ shells). Using chitosan solution as a soil stabilizer is based on the assumption that the biopolymer forms temporary bonds with soil particles. What is important is that these bonds are biodegradable,...
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High gain/bandwidth off‑chip antenna loaded with metamaterial unit‑cell impedance matching circuit for sub‑terahertz near‑field electronic systems
PublikacjaAn innovative off-chip antenna (OCA) is presented that exhibits high gain and efficiency performance at the terahertz (THz) band and has a wide operational bandwidth. The proposed OCA is implemented on stacked silicon layers and consists of an open circuit meandering line. It is shown that by loading the antenna with an array of subwavelength circular dielectric slots and terminating it with a metamaterial unit cell, its impedance...
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Soft Tissue Retraction Maneuver in Cone Beam Computed Tomography Prior to Crown-Lengthening Procedure—A Technical Note
PublikacjaBackground: An accurate determination of the biological width and the relationship of the cemento-enamel junction with the border of the alveolar bone is crucial during a clinical crown-lengthening (CCL) procedure. The aim of this study was to present a technical note about the retraction techniques in cone beam computed tomography (CBCT) prior to CCL, highlighting the significant enhancement in procedural accuracy and predictability...
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The influence of a change in the meniscus cross-sectional shape on the medio-lateral translation of the knee joint and meniscal extrusion
PublikacjaObjective The purpose of this study was to evaluate the influence of a change in the meniscus cross sectional shape on its position and on the biomechanics of a knee joint. Methods One main finite element model of a left knee joint was created on the basis of MRI images. The model consisted of bones, articular cartilages, menisci and ligaments. Eight variants of this model with an increased or decreased meniscus height were then...
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On-line Search in Two-Dimensional Environment
PublikacjaWe consider the following on-line pursuit-evasion problem. A team of mobile agents called searchers starts at an arbitrary node of an unknown network. Their goal is to execute a search strategy that guarantees capturing a fast and invisible intruder regardless of its movements using as few searchers as possible. We require that the strategy is connected and monotone, that is, at each point of the execution the part of the graph...
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Tailoring Diffusional Fields in Zwitterion/Dopamine Copolymer Electropolymerized at Carbon Nanowalls for Sensitive Recognition of Neurotransmitters
PublikacjaThe importance of neurotransmitter sensing in the diagnosis and treatment of many psychological illnesses and neurodegenerative diseases is non-negotiable. For electrochemical sensors to become widespread and accurate, a long journey must be undertaken for each device, from understanding the materials at the molecular level to real applications in biological fluids. We report a modification of diamondized boron-doped carbon nanowalls...
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Direct electrical stimulation of the human brain has inverse effects on the theta and gamma neural activities
PublikacjaObjective: Our goal was to analyze the electrophysiological response to direct electrical stimulation (DES) systematically applied at a wide range of parameters and anatomical sites, with particular focus on neural activities associated with memory and cognition. Methods: We used a large set of intracranial EEG (iEEG) recordings with DES from 45 subjects with electrodes...
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Electrophoretic Deposition and Characterization of Chitosan/Eudragit E 100 Coatings on Titanium Substrate
PublikacjaCurrently, a significant problem is the production of coatings for titanium implants, which will be characterized by mechanical properties comparable to those of a human bone, high corrosion resistance, and low degradation rate in the body fluids. This paper aims to describe the properties of novel chitosan/Eudragit E 100 (chit/EE100) coatings deposited on titanium grade 2 substrate by the electrophoretic technique (EPD). The deposition...
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Innovative method of localization airplanes in VCS (VCS-MLAT) distributed system
PublikacjaThe article presents the concept and the structure of the localization module. The prototype module is the part of the VCS (VCS-MLAT) localization distributed system. The device receives the audio signal transmitted in airplanes band (118 MHz – 136 MHz). Received data with the timestamps are send to the main server. The data from multiple devices estimates the localization of the airplane. The main aim of the project is the analysis...
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Iridium 5d -electron driven superconductivity in ThIr3
PublikacjaA polycrystalline sample of superconducting ThI r 3 was obtained by arc-melting Th and Ir metals. Powder x-ray diffraction revealed that the compound crystalizes in a rhombohedral crystal structure (R-3m, s.g. #166) with the lattice parameters: a = 5.3394 ( 1 ) Å and c = 26.4228 ( 8 ) Å . Normal and superconducting states were studied by magnetic susceptibility, electrical resistivity, and heat capacity measurements. The results...
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Benefit of the doubt approach to assessing the research performance of Australian universities
PublikacjaThis paper proposes a benefit of the doubt (BoD) approach to assess the research performance of 37 public Australian universities based on data from 2015. The primary activities of Higher Education institutions are teaching and research, but the prestige of a university depends mainly on the results of its research activities. The BoD method is rooted in the data envelopment analysis methodology, which enables the flexible and...
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High order of nongeminate recombination in organic bulk heterojunction solar cells
PublikacjaWe analyze high order of nongeminate recombination in organic donor–acceptor bulk heterojunction solar cells. The model of recombination where an exciton annihilates on an electron–hole Langevin bound pair near donor–acceptor interface has been applied in our studies. We obtained satisfactory agreement between experimental results and theoretical calculations for the concentration dependences of several parameters characterizing...
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Wpływ zewnętrznych czynników zakłócajacych na dokładność pomiarów rezystancji statycznej i udarowej uziemień
PublikacjaPodstawowym parametrem charakteryzującym skuteczność działania uziemienia jest jego rezystancja. Dla uziemień odgromowych powinna ona być wyznaczana przy wymuszeniu udarowym zaś dla uziemień ochronnych i roboczych przy częstotliwościach bliskich częstotliwości sieci. W referacie omówiono wpływ czynników zakłócajacych takich jak prądy błądzące czy rezystancja sond pomocniczych na dokładność wyznaczania rezystancji uziemień metodą...
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Imidazolium silanethiolates relevant to the active site of cysteineproteases. A cooperative effect in a chain of NH(+)...S(-) hydrogenbonds
PublikacjaThree imidazolium silanethiolates relevant to the active site of cysteine proteases have been synthesized and investigated by X-ray diffraction, IR spectroscopy and computational methods. As indicated by crystallographic and FT-IR data in the solid state, the transfer of proton from thiol to imidazole takes place and a thiolato-imidazolium ion pair is formed. The FT-IR spectra of crystalline imidazolium silanethiolates exhibit...
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A structure and design of a novel compact UWB MIMO antenna
PublikacjaIn the paper, a concept and design procedure of a novel compact MIMO slot antenna is presented. In order to achieve a better filling of available space, individual antennas are constrained to a triangular shape and optimized for a reduced size. The MIMO structure is then assembled using the two of previously designed antennas in orthogonal arrangement. Surrogate-assisted numerical optimization involving variable-fidelity electromagnetic...
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Photoluminescence as a probe of phosphorene properties
PublikacjaHere, we provide a detailed evaluation of photoluminescence (PL) as a comprehensive tool for phosphorene characterization with the emphasis on a prominent quantitative role of PL in providing fingerprint-like features due to its extreme sensitivity to the band structure details, anisotropy, disorder, external fields, etc. Factors such as number of layers, dimensionality, structural and chemical disorder, and environmental factors...
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Completely entangled subspaces of entanglement depth k
PublikacjaWe introduce a class of entangled subspaces: completely entangled subspaces of entanglement depth k (k-CESs). These are subspaces of multipartite Hilbert spaces containing only pure states with an entanglement depth of at least k. We present an efficient construction of k-CESs of any achievable dimensionality in any multipartite scenario. Further, we discuss the relation between these subspaces and unextendible product bases (UPBs)....
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Two-dimensional hydrogen-like atom in a weak magnetic field
PublikacjaWe consider a non-relativistic two-dimensional (2D) hydrogen-like atom in a weak, static, uniform magnetic field perpendicular to the atomic plane. Within the framework of the Rayleigh-Schr¨odinger perturbation theory, using the Sturmian expansion of the generalized radial Coulomb Green function, we derive explicit analytical expressions for corrections to an arbitrary planar hydrogenic bound-state energy level, up to the fourth...
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Anion–water interactions of weakly hydrated anions: molecular dynamics simulations of aqueous NaBF4 and NaPF6
PublikacjaIn aqueous ionic solutions, both the structure and the dynamics of water are altered dramatically with respect to the pure solvent. The emergence of novel experimental techniques makes these changes accessible to detailed investigations. At the same time, computational studies deliver unique possibilities for the interpretation of the experimental data at the molecular level. Here, using molecular dynamics simulations, we demonstrate...
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Compliance tests of the polymer layers used as hydrodynamic bearing coatings
PublikacjaOperational experience and scientific investigations results showed that polymer lined hydrodynamic bearings can withstand more severe operating conditions compared than white metal bearings. PTFE and PEEK-based coatings are the most frequently used as Babbitt alternatives. Both polymers differ significantly from the each other in material properties. According to catalogue data compression modulus of PTFE, it is about an order...
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Adhesive Monitoring with Instrumented Wedge Test
PublikacjaThe wedge test (sometimes called the Boeing wedge test) is amongst the most readily exploitable techniques for assessment of the rate-dependent fracture energy of adhesive materials when used to bond relatively rigid substrates. With its siblings: the double cantilever beam (DCB), and the tapered double cantilever beam (TDCB), a force is applied, essentially in cleavage, to provoke substrate separation perpendicularly to the bondline...
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Impact of the Alkyl Side Chains of Cations and Anions on the Activity and Renaturation of Lysozyme: A Systematic Study Performed Using Six Amino‐Acid‐Based Ionic Liquids
PublikacjaThe impact of the structure of ionic liquid on the activity and renaturation of lysozyme from the hen egg white (HEWL) was investigated. A set of six ionic liquids based on morpholinium cation and N-acylated amino acids as anions were exploited. The matrix used was based on two homologous series: one with N-acetyl-L-valinate [Val] as a common anion and morpholinium cation with a different number of...
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Reactivity of Phosphanylphosphinidene Complex of Tungsten(VI) toward Phosphines: A New Method of Synthesis of catena-Polyphosphorus Ligands
PublikacjaThe reactivity of an anionic phosphanylphosphinidene complex of tungsten(VI), [(2,6-i-Pr2C6H3N)2(Cl)- W(η2-t-Bu2P=P)]Li·3DME toward PMe3, halogenophosphines, and iodine was investigated. Reaction of the starting complex with Me3P led to formation of a new neutral phosphanylphosphinidene complex, [( 2,6-i-Pr2C6H3N)2(Me3P)W(η2-t-Bu2P=P)]. Reactions with halogenophosphines yielded new catena-phosphorus complexes. From reaction with...
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Selective Cytostatic and Cytotoxic Anticancer Effects of Bisfunctional Agents: A Strategy for the Design of DNA Binding Agents
PublikacjaVarious agents have been synthesized and proved useful for the National Cancer Institute's anticancer testing as potential new drugs, but most agents suffer side effects from their limited selectivity against cancer cells over healthy ones. Therefore, this paper attempts to describe drugs in terms of the level of tumor cell selectivity which they possess to define the features of mols. that are essential for useful cytotoxicity....
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Functionalization of Parylene During Its Chemical Vapor Deposition
PublikacjaTwo possible mechanisms for the reaction of four halogenated (metha)acrylate-based molecules with Parylene [poly (paraxylylene)] during its chemical vapor deposition were proposed. The chemical reactivity of acrylate double bond with the paraxylylene biradical was calculated for all four (metha)acrylate-based molecules. These calculations allowed the evaluation of the energetically favorable mechanism and indeed a direct correlation...
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Assessment and design of greener deep eutectic solvents – A multicriteria decision analysis
PublikacjaDeep eutectic solvents (DES) are often considered as green solvents because of their properties, such as negligible vapor pressure, biodegradability, low toxicity or natural origin of their components. Due to the fact that DES are cheaper than ionic liquids, they have gained many applications in a short period of time. However, claims about their greenness sometimes seem to be exaggerated. Especially, bearing in mind lots of data...
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Contemporary Spaces of Memory - Towards Transdisciplinarity in Architecture
PublikacjaThe paper explores new phenomena in the contemporary practice of commemoration implemented through architecture. Architectural objects related to memory can be a place where new trends and phenomena appear earlier than in other architectural objects. The text is an attempt to prove that these new spaces of memory are a kind of laboratory where new ideas taking place in architecture and related disciplines are being tested. Research...