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Search results for: HALOGEN BONDS
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Ekspertyza dotycząca zdiagnozowania przyczyn przelewania się wody i powstania rozlewisk w systemie retencji w postaci ogrodów deszczowych na terenie osiedla ZDROVO, ul. Niepołomicka w Gdańsku
PublicationCelem ekspertyzy jest przedstawienie przyczyn przelewania się wody i powstawania rozlewisk w systemie retencji w postaci ogrodów deszczowych na terenie osiedla ZDROVO przy ul. Niepołomickiej w Gdańsku. Opracowanie zawiera analizę warunków gruntowo-wodnych, analizę przeprowadzonych...
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Synthesis and biological evaluation of fluorinated 3-phenylcoumarin-7-O-sulfamate derivatives as steroid sulfatase inhibitors
PublicationIn the present work, we report the initial results of our study on a series of 3-phenylcoumarin sulfamate-based compounds containing C-F bonds as a novel inhibitors of steroid sulfatase (STS). The new compounds are potent STS inhibitors, possessing more than 10 times higher inhibitory potency than coumarin-7-O-sulfamate. In the course of our investigation, compounds 2b and 2c demonstrated the highest inhibitory effect in the enzymatic...
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Software tool for modelling of mechatronic systems with elastic continua
PublicationThe paper presents a systematic computational package for modelling and analysis of complex systems composed of multiple lumped and distributed parameter subsystems. The constructed computer program enables the frequency domain analysis of a class of linear systems and to obtain reduced order model in the form of bond graph. Obtained modal bond graph can be directly exported into 20-Sim package to further processing including nonlinear...
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Audio codec employing frequency-derived tonality measure
PublicationA transform codec employing efficient algorithm for detection of spectral tonal components is presented. The tonality measure used in MPEG psychoacoustic model is replaced with the method providing adequate tonality estimates even if the tonal components are deeply frequency modulated. The reliability of hearing threshold estimated using psychoacoustic model with standardized tonality measure and the proposed one is investigated...
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Welfare State
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Synthesis, structural characterization, and thermal properties of Ca‐ and La‐doped soda‐lime glasses by laser melting
PublicationLaser melting techniques have been used in the preparation of unconventional glass compositions with high melting temperatures. Thus, we wanted to test the feasibility of using a CO2 laser in the preparation of nitrogen-rich oxynitride glasses and nitride silicate glasses. Melting from oxides and metallic raw materials, we wanted to study first glass formation and possible evaporation losses of the glass components. Two glass series...
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Nitrate and nitrite silver complexes with weakly coordinating nitriles
PublicationSimple system of weak nitrile ligands and silver nitrite/nitrate allowed the formation and isolation of coordination compounds of diverse nuclearity and dimensionality. The extension of the network does not enhance the luminescent properties of the ligands however it gives rise to the new MLCT bands in the visible region.
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Effect of hybrid TiO2 nanoparticles with controlled morphology on rheological properties of poly(styrene-co-acrylonitrile) nanocomposites
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Normal-form preemption sequences for an open problem in scheduling theory
PublicationStructural properties of optimal preemptive schedules have been studied in a number of recent papers with a primary focus on two structural parameters: the minimum number of preemptions necessary, and a tight lower bound on shifts, i.e., the sizes of intervals bounded by the times created by preemptions, job starts, or completions. These two parameters have been investigated for a large class of preemptive scheduling problems,...
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Development of methods improving storage stability of bitumen modified with ground tire rubber: A review
PublicationThe following paper presents an overview of methods for improving the storage stability at high temperature of rubber modified bitumen. The storage stability of the rubber modified bitumen can be improved by using a various types of modifiers that form the bonds between the components of these binders. The increase in stability can also be achieved by using crumbrubber surface-activated by furaldehyde or ground tire rubber (GTR)...
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Ammonium <i>O</i>,<i>O</i>'-diethyl dithiophosphate
PublicationIn the title compound, NH4+·(C2H5O)2PS2−, the ammonium cation is connected by four charge-assisted N−H···S hydrogen bonds to four tetrahedral O,O'-diethyl dithiophosphate anions, forming layers parallel to (100). The polar and non-polar constituents of the layers are stacked alternately along [100]. Interlacing of the external ethyl groups...
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Drawing maps with advice
PublicationW pracy podejmujemy temat konstrukcji algorytmu dla agenta, który zostaje umieszczony w dowolnym wierzchołku grafu (wierzchołki są nierozróżnialne, krawędzie mają etykiety portów), po czym realizuje algorytm zmierzający do znalezienia drzewa spinającego grafu lub izomorficznej kopii grafu. Dla obu problemów podajemy asymptotycznie dokładne lub prawie dokładne oszacowania na ilość bitów dodatkowej informacji, którą agent musi otrzymać...
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Bis(diisopropylammonium) thiosulfate and bis(tert-butylammonium) thiosulfate
PublicationTwo new dialkylammonium thiosulfates, namely bis(diisopropylammonium) thiosulfate, 2C6H16N+S2O3 2-, (I), and bis(tert-butylammonium) thiosulfate, 2C4H12N+S2O3 2-, (II), have been characterized. The secondary ammonium salt (I) crystallizes with Z = 4, while the primary ammonium salt (II), with more...
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Interaction of the conserved region 4.2 of sigma(E) with the RseA anti-sigma factor
PublicationEo-E RNA polymerase transcribes a regulon of folding factors for the bacterial envelope and is induced by physical and chemical stresses. The RseA anti-sigma factor inhibits the activity of Esigma(E) RNA, polymerase. It is shown here that the N-terminal portion of sigma(E), residues 1-153, binds core RNA polymerase. RseA interacts with residues 154-191 of sigma(E), a site that is homologous to region 4, the sigma factor binding...
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Enzymatic cross-linking of β-lactoglobulin in solution and at air–water interface: Structural constraints
PublicationEffective and controlled use of cross-linking enzymes in structure engineering of food systems depends on characterization of the favorable conditions for enzyme-substrate complex and the limiting factors for the desired modification. In this respect, we analyzed the susceptibility of bovine β-lactoglobulin (BLG) to enzymatic cross-linking by Trichoderma reesei tyrosinase (TrTyr) and transglutaminase (TG). Changes in BLG molecular...
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In Situ Verification of Numerical Model of Water Hammer in Slurries
PublicationThis paper presents a numerical model of transient flow in a pressure slurry pipeline network with verification based on in situ measurements. The model, primarily verified in laboratory conditions, has been extended and applied to the case of a large and complex slurry pipeline network in Poland. In the model, the equivalent density concept was applied. In situ experiments were performed for various unsteady flow episodes, caused by...
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SMOTE-Based Homogeneous Ensemble Methods for Software Defect Prediction
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Data Sampling-Based Feature Selection Framework for Software Defect Prediction
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Drum Replacement Using Wavelet Filtering Podmienianie próbek perkusyjnych przy zastosowaniu filtracji falkowej
PublicationThe paper presents the solution that can be used to unify snare drum sound within a chosen fragment. The algorithm is based on the wavelet transformation and allows replacement of sub-bands of particular sounds, which are outside a certain range. Five experienced sound engineers put the algorithm under the test using
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Monument / Las Szpęgawski
PublicationWspółczesne monumenty często projektowane są tak, aby angażować uwagę odwiedzających miejsce pamięci nie tylko pod względem wizualnym. Zapraszają one do wejścia w swoją przestrzeń, nawet do dotknięcia powierzchni, a tym samym tworzą bliższe i bogatsze więzi ze zwiedzającymi. Tekst przedstawia Monument Pamięci w Lesie Szpęgawskim autorstwa Katarzyny Ephraim jako współczesne miejsce pamięci.
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Beta-galactosidases from a psychrotolerant Arthrobacter isolates and their potential use
PublicationEnzymes from extremophiles, especially psychrophiles and psychrotolerant microorganisms are currently intensively studied because of their unusual structural and functional properties. One of these enzymes is a cold-adapted - galactosidase (EC 3.2.1.23) which catalyzes the hydrolysis of - 1,4-glycosidic bonds in -galactosides. The most common - galactoside is lactose, a disaccharide which makes up 2-7% of milk. The majority of...
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Iso-Partricin, an Aromatic Analogue of Amphotericin B: How Shining Light on Old Drugs Might Help Create New Ones
PublicationPartricin is a heptaene macrolide antibiotic complex that exhibits exceptional antifungal activity, yet poor selective toxicity, in the pathogen/host system. It consists of two compounds, namely partricin A and B, and both of these molecules incorporate two cis-type bonds within their heptaenic chromophores: 28Z and 30Z. In this contribution, we have proven that partricins are susceptible to a chromophore-straightening photoisomerization...
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9-(Trichloroacetylimino)acridine monohydrate
PublicationThe title compound, alternatively called N-acridin-9(10H)-ylidene-2,2,2-trichloroacetamide monohydrate, C15H9Cl3N2O·H2O, crystallizes in space group P21/c with Z = 4. The acridine moieties are arranged in layers, tilted at an angle of 15.20 (4)° relative to the ac plane, while adjacent molecules pack in a head-to-tail manner. Acridine and water molecules form columns along the b axis held in place by a network of hydrogen...
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The chemistry of river–lake systems in the context of permafrost occurrence (Mongolia, Valley of the Lakes) Part II. Spatial trends and possible sources of organic composition
PublicationThe chemistry of river–lake systems located in Central Mongolia near the southern border of permafrost occurrence has not been well studied. The main aim of this paper is to summarize patterns in water chemistry in supply springs, rivers and lakes in relation to permafrost occurrence, as well as other natural and anthropogenic impacts. The analyses involved water samples taken from two river–lake systems: the Baydrag River–Böön...
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Enhanced boron doping of thin diamond films grown in deuterium-rich microwave plasma
PublicationThe boron-doped diamond thin films were growth in deuterium rich microwave plasma in CVD process. The mechanism of influence of plasma composition on boron doping level was studied using optical emission spectroscopy. Deuterium rich plasma results in an increased dissociation of B2H6 precursor and intense boron-radicals' production. In consequence, a higher doping level of diamond films was observed by means of Laser Induced Breakdown...
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Gold(III) complexes with chloride and cyanopyridines: Facilitated hydrolysis of nitrile ligand to amide and antibacterial activity
PublicationA range of novel simple gold(III) compounds has been synthesized in their monocrystalline form, including two previously unknown chloro-complexes of Au3+ with 2-cyanopyridine or 3-cyanopyridine, respectively. Our investigations have revealed the intricate nature of the reaction between 2-cyanopyridine and tetrachloroauric acid, yielding at least three distinct products. The main product, obtained in high yield, is a salt featuring...
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Expedited Re-Design of Multi-Band Passive Microwave Circuits Using Orthogonal Scaling Directions and Gradient-Based Tuning
PublicationGeometry scaling of microwave circuits is an essential but challenging task. In particular, the employment of a given passive structure in a different application area often requires re-adjustment of the operating frequencies/bands while maintaining top performance. Achieving this necessitates utilization of numerical optimization methods. Nonetheless, if the intended frequencies are distant from the ones at the starting point,...
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublicationThe synthesis and characterisation of new anionic iridium(II) complexes (NH4)2[IrCl4(κ2N,N’-H2biim)]2 · 5H2O (1) and ((CH3)2NH2)[IrCl4(κ2N,N’-PyBIm)] · H2O (2) are presented in this article. Spectroscopic methods (1H, 13C and 15N NMR, FTIR, UV-Vis) were used to characterize these new complexes. Solid-state structural analysis (SC-XRD) of complexes 1 and 2 shows a slightly distorted octahedral geometry of Ir(III) ions, which is...
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Porównywanie topologii drzew i sieci filogenetycznych z wykorzystaniem metryki błędu
PublicationPodstawowymi modelami historii ewolucji organizmów są drzewa i sieci filogenetyczne. Ponieważ algorytmy konstrukcji filogenów zwracają różne wyniki dla tych samych danych wejściowych, powstaje problem oceny, który filogen najlepiej reprezentuje historię ewolucji dla zadanego zbioru gatunków. W pracy podano definicję metryki dla przestrzeni drzew o n liściach, zwanej metryką błędu. Dokonano przeglądu miar odległości na przestrzeni...
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On some Zarankiewicz numbers and bipartite Ramsey Numbers for Quadrilateral
PublicationThe Zarankiewicz number z ( m, n ; s, t ) is the maximum number of edges in a subgraph of K m,n that does not contain K s,t as a subgraph. The bipartite Ramsey number b ( n 1 , · · · , n k ) is the least positive integer b such that any coloring of the edges of K b,b with k colors will result in a monochromatic copy of K n i ,n i in the i -th color, for some i , 1 ≤ i ≤ k . If n i = m for all i , then we denote this number by b k ( m )....
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Zero-Visibility Cops and Robber Game on a Graph
PublicationWe examine the zero-visibility cops and robber graph searching model, which differs from the classical cops & robber game in one way: the robber is invisible. We show that this model is not monotonic. We also provide bounds on both the zero-visibility copnumber and monotonic zero-visibility copnumber in terms of the pathwidth.
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Comprehensive evaluation of physical properties and carbon dioxide capacities of new 2-(butylamino)ethanol-based deep eutectic solvents
PublicationThe aim of this research was to assess the impact of the components of alkanolamine deep eutectic solvents (DESs) on the physical properties of those DESs and their carbon dioxide capacity. To achieve this goal, novel deep eutectic solvents were synthesized by using 2-(butylamino)ethanol (BAE) as the hydrogen bond donor (HBD), along with tetrabutylammonium bromide TBAB), tetrabutylammonium chloride (TBAC), or tetraethy- lammonium...
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Anti-plane surface waves in media with surface structure: Discrete vs. continuum model
PublicationWe present a comparison of the dispersion relations derived for anti-plane surface waves using the two distinct approaches of the surface elasticity vis-a-vis the lattice dynamics. We consider an elastic half-space with surface stresses described within the Gurtin–Murdoch model, and present a formulation of its discrete counterpart that is a square lattice half-plane with surface row of particles having mass and elastic bonds different...
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Strategie treningu neuronowego estymatora częstotliwości tonu krtaniowego z użyciem generatora syntetycznych samogłosek
PublicationW wielu zastosowaniach telekomunikacyjnych pojawia się problem przetwarzania lub analizy sygnału mowy, w ramach którego, często w obszarze podstawowych algorytmów, stosuje się estymator częstotliwości tonu krtaniowego. Estymator rozpatrywany w tej pracy bazuje na neuronowym klasyfikatorze podejmującym decyzje na podstawie częstotliwości oraz mocy chwilowej wyznaczanych w podpasmach analizowanego sygnału mowy. W pracy rozważamy...
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Monosubstituted hydrazone β-cyclodextrin derivatives for pH-sensitive complex formation with aromatic drugs
PublicationA new and convenient synthetic pathway was developed to produce monosubstituted cyclodextrins with high yields. Each of the β-cyclodextrin derivatives described in this work has an aromatic substituent connected with cyclodextrin core by a pH-sensitive hydrazone linker and a carbon chain. Carbon chains differ in lengths having one or three carbon atoms. The correlation between water solubility and linker length was determined using...
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New potential functions for greedy independence and coloring
PublicationA potential function $f_G$ of a finite, simple and undirected graph $G=(V,E)$ is an arbitrary function $f_G : V(G) \rightarrow \mathbb{N}_0$ that assigns a nonnegative integer to every vertex of a graph $G$. In this paper we define the iterative process of computing the step potential function $q_G$ such that $q_G(v)\leq d_G(v)$ for all $v\in V(G)$. We use this function in the development of new Caro-Wei-type and Brooks-type...
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Digestive system, femur and tibia bone characteristics of Dworka and Pekin ducks
PublicationThe aim of this study was to determine traits of the digestive system and femur and tibia bone ofDworka and Pekin ducks. A study was conducted on 24 Dworka duck (breeding strain D11) carcassesand 24 Pekin duck (conservative strain P9) carcasses, 12 male carcasses and 12 female carcassesfrom each strain. The lengths of the intestinal segments were tape measured. The diameters of theintestinal segments and leg bone dimensions...
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Digestive system, femur and tibia bone characteristics of Dworka and Pekin ducks
PublicationThe aim of this study was to determine traits of the digestive system and femur and tibia bone ofDworka and Pekin ducks. A study was conducted on 24 Dworka duck (breeding strain D11) carcassesand 24 Pekin duck (conservative strain P9) carcasses, 12 male carcasses and 12 female carcassesfrom each strain. The lengths of the intestinal segments were tape measured. The diameters of theintestinal segments and leg bone dimensions...
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Digestive system, femur and tibia bone characteristics of Dworka and Pekin ducks
PublicationThe aim of this study was to determine traits of the digestive system and femur and tibia bone ofDworka and Pekin ducks. A study was conducted on 24 Dworka duck (breeding strain D11) carcassesand 24 Pekin duck (conservative strain P9) carcasses, 12 male carcasses and 12 female carcassesfrom each strain. The lengths of the intestinal segments were tape measured. The diameters of theintestinal segments and leg bone dimensions...
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Maximizing SDN resilience to node‐targeted attacks through joint optimization of the primary and backup controllers placements
PublicationIn Software Defined Networks (SDN) packet data switches are configured by a limited number of SDN controllers, which respond to queries for packet forwarding decisions from the switches. To enable optimal control of switches in real time the placement of controllers at network nodes must guarantee that the controller-to-controller and switch-to-controller communications delays are bounded. Apart from the primary controllers that...
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Solubility of Carbon Dioxide in Deep Eutectic Solvents Based on 3-Amino-1-Propanol and Tetraalkylammonium Salts at Low Pressure
PublicationDeep eutectic solvents (DESs) became an object of a great interest as an alternative to ionic liquids (ILs) and commonly used in CO2 capture amine solutions. In the present study, five different DESs based on 3-amino-1-propanol as physical-chemical CO2 absorbents were used. The composition was chosen in order to estimate the effects of hydrogen bond acceptor:hydrogen bond donor (HBA:HBD) molar ratio, anion type and length of alkyl...
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublicationThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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DETERMINATION OF SP3 FRACTION IN ta-C COATING USING XPS AND RAMAN SPECTROSCOPY
PublicationThe paper presents results of studies on the structure of tetrahedral amorphous carbon films (ta-C) with a thickness in the range from 20 to 280 nm, deposited using pulsed vacuum arc technique with an electromagnetic Venetian blind plasma filter. The results of the phase structure analysis, obtained using visible Raman spectroscopy and UV Raman spectroscopy methods, showed a strong dependence of the results on the presence, on...
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Influence of edge subdivision on the convex domination number
PublicationWe study the influence of edge subdivision on the convex domination number. We show that in general an edge subdivision can arbitrarily increase and arbitrarily decrease the convex domination number. We also find some bounds for unicyclic graphs and we investigate graphs G for which the convex domination number changes after subdivision of any edge in G.
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On some open questions for Ramsey and Folkman numbers
PublicationWe discuss some of our favorite open questions about Ramsey numbers and a related problem on edge Folkman numbers. For the classical two-color Ramsey numbers, we first focus on constructive bounds for the difference between consecutive Ramsey numbers. We present the history of progress on the Ramsey number R(5,5) and discuss the conjecture that it is equal to 43.
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Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes
PublicationLinear-scaling density functional theory simulation of methylated imogolite nanotubes (NTs) elucidates the interplay between wall-polarization, bands separation, charge-transfer excitation, and tunable electrostatics inside and outside the NT-cavity. The results suggest that integration of polarization-enhanced selective photocatalysis and chemical separation into one overall dipole-free material should be possible.
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Dynamics of Opposing Polymer Brushes: A Computer Simulation Study
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Growth of polymer brushes by “grafting from” via ATRP – Monte Carlo simulations
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Macromolecular Templates for Synthesis of Inorganic Nanoparticles
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5-Thiocyanato-2′-deoxyuridine as a possible radiosensitizer: electron-induced formation of uracil-C5-thiyl radical and its dimerization
PublicationIn this work, we have synthesized 5-thiocyanato-2′-deoxyuridine (SCNdU) along with the C6-deuterated nucleobase 5-thiocyanatouracil (6-D-SCNU) and studied their reactions with radiation-produced electrons. ESR spectra in γ-irradiated nitrogen-saturated frozen homogeneous solutions (7.5 M LiCl in H2O or D2O) of these compounds show that electron-induced S–CN bond cleavage occurs to form a thiyl radical (dU-5-S˙ or 6-D-U-5-S˙) and...