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Search results for: HALOGEN BONDS
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Directed percolation effects emerging from superadditivity of quantum networks
PublicationEntanglement-induced nonadditivity of classical communication capacity in networks consisting of quantum channels is considered. Communication lattices consisting of butterfly-type entanglement-breaking channels augmented, with some probability, by identity channels are analyzed. The capacity superadditivity in the network is manifested in directed correlated bond percolation which we consider in two flavors: simply directed and...
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The importance of a place in a small or medium - Sized Town.- Vol. 2
PublicationPublic space is a matter of concern for international humanitarian organisations. The paper describes the initiative of UNHabitat organisation for the creation of Charter of Public Space and the draft of this document. Next the definition of “place” is provided and the definitions of social capital and the bond between social capital and place attachment are presented. The actions proposed nowadays to create places are described....
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Sulfurization of phosphanylphosphinidene ligand: Access to phosphinothioyltrithiophosphonato platinum(II) complexes
PublicationThe reactivity of phosphanylphosphinidene Pt(0) complexes [DppePt(η2-P–PtBu2)] (1) and [(pTol3P)2Pt(η2-P–PtBu2)] (2) toward sulfur was studied. Reactions of 1 and 2 with an excess of sulfur led to the formation of the first transition metal complexes 3 and 4 with phosphinothioyltrithiophosphonato ligands with the formula [tBu2P(=S)–P(=S)S2]2-. In contrast to previous reports on the phosphanylphosphinidene moiety sulfurization,...
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Ochrona odbiorników GNSS przed zakłóceniami celowymi
PublicationArtykuł dotyczy zastosowania algorytmów przestrzennego cyfrowego przetwarzania sygnałów dla potrzeb selektywnej eliminacji sygnałów zakłócających pracę odbiorników nawigacji satelitarnej GNSS. Omówiono podatność tych odbiorników na ataki elektroniczne typu zagłuszanie oraz spoofing. Polegają one na celowej emisji sygnałów niepożądanych w paśmie pracy systemu. Następnie przedstawiono koncepcję przeciwdziałania tego rodzaju zakłóceniom...
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Role of the Solvation Water in Remote Interactions of Hyperactive Antifreeze Proteins with the Surface of Ice
PublicationMost protein molecules do not adsorb onto ice, one of the exceptions being so-called antifreeze proteins. In this paper, we describe that there is a force pushing an antifreeze protein molecule away from the ice surface when it is not oriented with its ice-binding plane toward the ice and that this pushing force may be also present even when the protein is oriented with its ice-binding plane toward the ice. This force is absent...
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The influence of screw configuration and screw speed of co-rotating twin screw extruder on the properties of products obtained by thermomechanical reclaiming of ground tire rubber
PublicationThe results of our investigations on the process of continuous thermomechanical reclaiming of ground tire rubber (GTR) carried out using a twin screw extruder are presented.We used a co-rotating twin screw extruder with a special configuration of plasticizing unit, enabling generation of considerable shear forces. The influence of screw configuration and screw speed on breaking of chemical crosslink bonds contained in ground tire...
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Heptaene macrolides biosynthesis by Streptomyces species
PublicationPolyene macrolides are one of the groups of secondary metabolites, generated by microorganisms belonging to the Streptomyces genus. These compounds, containing 3 - 7 conjugated double bonds systems in their molecules exhibit high antifungal activity against a broad spectrum of fungal pathogens with heptaenes demonstrating the highest antifungal potential. At the large extent, efficiency of biosynthesis of these natural products...
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Studies of the Interaction Dynamics in Albumin-Chondroitin Sulfate Systems by Recurrence Method
PublicationThe physicochemical basis of lubrication of articular cartilage is still not fully understood. However, the synergy between components of the synovial fluid can be a crucial factor that could explain this phenomenon. This work presents a nonlinear data analysis technique named the recurrence method, applied to the system involving two components of synovial fluid: albumin and chondroitin sulfate (CS) immersed in a water environment....
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C-1311 (Symadex), a potential anti-cancer drug, intercalates into DNA between A and G moieties. NMR-derived and MD-refined stereostructure of the d(GAGGCCTC) 2 :C-1311 complex
PublicationImidazoacridinone C-1311 (Symadex®) is an antitumor agent which has been recommended for Phase II clinical trials a few years ago. Previously, it was shown experimentally that during the initial stage of its action C-1311 forms stable intercalation complexes with DNA duplexes. Herein, a NMR-derived stereostructure of d(GAGGCCTC)2:C-1311 complex was reported. The ligand was found locating itself between A and G moieties, forming...
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Obtaining and Characterization of the PLA/Chitosan Foams with Antimicrobial Properties Achieved by the Emulsification Combined with the Dissolution of Chitosan by CO2 Saturation
PublicationA new method of obtaining functional foam material has been proposed. The materials were created by mixing the poly lactic acid (PLA) solution in chloroform, chitosan (CS) dissolved in water saturated with CO2 and polyethylene glycol (PEG), and freeze-dried for removal of the solvents. The composite foams were characterized for their structural (SEM, FT-IR, density, porosity), thermal (DSC), functional (hardness, elasticity, swelling...
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Diamine derivatives of dimerized fatty acids and bio-based polyether polyol as sustainable platforms for the synthesis of non-isocyanate polyurethanes
PublicationA series of environmentally friendly non-isocyanate polyurethanes (NIPUs) were successfully prepared via the polyaddition reaction of bio-based polyether polyol-based cyclic carbonate with diamine derivative of dimerized fatty acids. The syntheses of NIPUs were realized by the three-step method in the absence of toxic solvents and, importantly, the process of carbonation did not require the use of elevated pressure. The effect...
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Chemical Aspects of Biological Activity of Isothiocyanates and Indoles, the Products of Glucosinolate Decomposition
PublicationThere is growing evidence that cancer chemoprevention employing natural, bioactive compounds may halt or at least slow down the different stages of carcinogenesis. A particularly advantageous effect is attributed to derivatives of sulfur-organic phytochemicals, such as glucosinolates (GLs) synthesized mainly in Brassicaceae plant family. GLs are hydrolysed enzymatically to bioactive isothiocyanates (ITC) and indoles, which exhibit strong...
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Obtaining and Characterization of the PLA/Chitosan Foams with Antimicrobial Properties Achieved by the Emulsification Combined with the Dissolution of Chitosan by CO2 Saturation
PublicationA new method of obtaining functional foam material has been proposed. The materials were created by mixing the poly lactic acid (PLA) solution in chloroform, chitosan (CS) dissolved in water saturated with CO2 and polyethylene glycol (PEG), and freeze-dried for removal of the solvents. The composite foams were characterized for their structural (SEM, FT-IR, density, porosity), thermal (DSC), functional (hardness, elasticity, swelling...
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Effect of osmolytes of different type on DNA behavior in aqueous solution. Experimental and theoretical studies
PublicationOsmolytes, the small organic molecules accumulated in cells under environmental stress, can modulate the stability of biopolymers such as proteins and DNA. In spite of many years of research, there is no established molecular mechanism of the influence of osmolytes on DNA structure. Here, we used two model osmolytes that denature (urea) or stabilize (trimethylglycine, TMG) proteins to study their effect on DNA in aqueous solutions...
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Lead(II) coordination polymers with imidazole-4- and pyrazole-3-carboxylate isomeric linkers: Structural diversity and luminescence properties
PublicationUsing 1H-imidazole-4-carboxylic acid (4imCOOH) and 1H-pyrazole-3-carboxylic acid (3pyrCOOH) coordination polymers [Pb(4imCOO)2(H2O)]n (1) and [Pb2(3pyrCOO)4]n (2) were constructed. Obtained polymers were characterized via FT-IR, X-ray, PL and TG methods. The coordination polyhedron around Pb(II) in 1 is described as distorted pentagonal pyramid with hemidirected coordination sphere (based on DFT calculations). Compound 2 consists...
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Efficiency of gas detection algorithms using fluctuation enhanced sensing
PublicationEfficiency of various gas detection algorithms by applying fluctuation enhanced sensing method was discussed. We have analyzed resistance noise observed in resistive WO3- nanowires gas sensing layers. Power spectral densities of the recorded noise were used as the input data vectors for two algorithms: the principal component analysis (PCA) and the support vector machine (SVM). The data were used to determine gas concentration...
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STUDY OF CuO AND V2O5 EFFECT ON IR SPECTRA OF POLYCRYSTALLINE BISMUTH NIOBATE
PublicationBismuth niobate (BiNbO4) ceramics were fabricated by mixed oxide method and sintered by presureless sintering method. BiNbO4 ceramics doped with V2O5 additive in amount 0.125 wt%, 0.250 wt% and 1 wt% of was sintered at T = 910°C whereas BiNbO4 ceramics doped with 2 wt% of CuO additive was sintered at T = 890°C and T = 910°C. It was found that V2O5 additive improved morphology of the ceramic samples. However, the chemical composition...
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Excited states of isoxazole molecules studied by electron energy-loss spectroscopy
PublicationElectron energy-loss spectra were measured in isoxazole in the excitation energy range 3.5−10 eV to investigate the valence excited states. Spectra recorded at different scattering conditions enabled the identification of the singlet and triplet states and the determination of their vertical excitation energies. The two lowest energy triplet bands, ππ* 13A' and ππ* 23A' at 4.20 and 5.30 eV, respectively show vibrational progressions....
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Outlier detection method by using deep neural networks
PublicationDetecting outliers in the data set is quite important for building effective predictive models. Consistent prediction can not be made through models created with data sets containing outliers, or robust models can not be created. In such cases, it may be possible to exclude observations that are determined to be outlier from the data set, or to assign less weight to these points of observation than to other points of observation....
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Collision-induced luminescence spectra of pyridine bombarded by 1000 eV He+ cations
PublicationHere we show collision-induced luminescence spectra measured for collisions of the He+cations with thearomatic six-membered ring of the pyridine molecule (C5H5N). Distinct emission bands due to the CH(A2Δ→X2Πr;B2Σ+→X2Πr;C2Σ+→X2Πr), CN(B2Σ+→X2Σ+), C2(d3Πg→a3Πu), and NH(A3Π→X3Σ−) transitions, aswell as atomic H, He, and C lines have been observed. Apart from the He atoms, all the emitters arise from thefragmentation of the pyridine...
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Design and optimization of a novel compact broadband linearly/circularly polarized wide-slot antenna for WLAN and Wi-MAX applications
PublicationA novel topologically modified structure of a compact low profile wide-slot antenna for broadband applications is presented. The antenna comprises a modified E-shaped slot with unequal arm lengths in the ground plane, and a parasitic quasi-rectangular loop placed coplanar with the feedline. For exciting orthogonal modes with equal amplitude, a single-point feeding technique with an asymmetrical geometry of the coplanar waveguide...
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Structural optimization of microjet array cooling system
PublicationThe single phase heat transfer from an upward facing, horizontal copper surface to arrays of impinging water jets was experimentally investigated. Experimental configuration allows for a free-surface unconfined jets flow. Square nozzles 50 × 100 μm arranged in four different geometries were used. Additionally, for the set of two jets array geometry was varied by adjusting the nozzle to nozzle distance. The area averaged heat transfer...
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Production of singlet oxygen atoms by photodissociation of oxywater
PublicationQuantum chemical calculations are reported for the energies of the few lowest electronic singlet states of oxywater along dissociation of the oxygen-oxygen bond into water and singlet oxygen using multistate multireference second-order Møller–Plesset perturbation theory. We compute an energy of 21 kcal/mol to remove one oxygen atom in the lowest singlet state. The two lowest excited singlet states have vertical excitation energies...
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Multiplicative Long Short-Term Memory with Improved Mayfly Optimization for LULC Classification
PublicationLand Use and Land Cover (LULC) monitoring is crucial for global transformation, sustainable land control, urban planning, urban growth prediction, and the establishment of climate regulations for long-term development. Remote sensing images have become increasingly important in many environmental planning and land use surveys in recent times. LULC is evaluated in this research using the Sat 4, Sat 6, and Eurosat datasets. Various...
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Formation of Porous Structure of the Metallic Materials Used on Bone Implants
PublicationResearch on improvement of structure and fabrication methods of the bone implants are carried out for many years. Research are aimed to shape the structures, that will have a Young's modulus value similar to the value of the human bones Young's modulus. Depending on theporosity, Young's moduli can even be tailored to match the modulus of bone closer than solid metals can, thus reducing the problems associated with stress shielding...
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Mechanism of Binding of Antifungal Antibiotic Amphotericin B to Lipid Membranes: An Insight from Combined Single-Membrane Imaging, Microspectroscopy, and Molecular Dynamics
PublicationAmphotericin B is a lifesaving polyene antibiotic used in the treatment of systemic mycoses. Unfortunately, the pharmacological applicability of this drug is limited because of its severe toxic side effects. At the same time, the lack of a well-defined mechanism of selectivity hampers the efforts to rationally design safer derivatives. As the drug primarily targets the biomembranes of both fungi and humans, new insights into the...
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Luminescence properties of Eu3+ and Tb3+ doped silica-based xerogels
PublicationPure SiO2 xerogels and SiO2 xerogels containing SrF2: Eu3+/: Tb3+ crystals were prepared using sol-gel method. Luminescent spectra showed excitation and emission peaks characteristic to Eu3+ and Tb3+ 4f - 4f transitions. ET Tb3+→Eu3+ has been observed. XRD pattern of SiO2 matrix confirmed lack of long range order. Patterns of SiO2-SrF2:Eu3+ and SiO2-SrF2:Tb3+ showed peaks corresponding to SrF2. SEM images have shown agglomerates...
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Product Graph Invariants with Applications in the Theory of Information
PublicationThere are a large number of graph invariants. In the paper, we consider some of them, e.g. the independence and chromatic numbers. It is well know that we cannot efficiently calculate these numbers for arbitrary graphs. In the paper we present relations between these invariants and concepts from the theory of information. Concepts such as source coding and transmission over a noisy channel with zero probability of error are modeled...
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On the partition dimension of trees
PublicationGiven an ordered partition Π={P1,P2,…,Pt} of the vertex set V of a connected graph G=(V,E), the partition representation of a vertex v∈V with respect to the partition Π is the vector r(v|Π)=(d(v,P1),d(v,P2),…,d(v,Pt)), where d(v,Pi) represents the distance between the vertex vv and the set Pi. A partition Π of V is a resolving partition of G if different vertices of G have different partition representations, i.e., for every...
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Contamination of water in Oliwski Stream after the flood in 2016
PublicationIn the article pollution of stream waters with surface runoff from an urbanized area caused by an extremely high rainfall is discussed. The analyzes were carried out after the rainfall of the depth 152 mm which took place in Gdańsk on 14th and 15th July 2016. This extreme rainfall caused urban flooding, damage of several retention ponds and pollution of surface waters. In the article the results of physical and chemical analyzes...
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A Simple Replica Method as the Way to Obtain a Morphologically and Mechanically Bone-like Iron-Based Biodegradable Material
PublicationPorous iron-based scaffolds were prepared by the simple replica method using polyurethane foam as a template and applying the sintering process in a tube furnace. Their surface morphology was characterized using scanning electron microscopy (SEM) and phase homogeneity was confirmed using X-ray diffraction (XRD). Corrosion behavior was determined using immersion and potentiodynamic polarization methods in phosphate buffered saline...
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A Canonical Switched Capacitor DC-DC Converter. A look at how the historical SC synthesis problem is getting solved
PublicationWe reconsider a solution to the historical problem in switched capacitor (SC) DC-DC converter synthesis. Specifically, we retackle the problem of constructing an SC twophase network realizing arbitrary voltage conversion ratio within rational bounds defined. Theoretical foundations are available in our earlier research [3] where a nonconstructive proof of existence was given. We briefly review and comment on known circuit solutions...
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Operational algae bloom detection in the Baltic Sea using GIS and AVHRR data
PublicationDuring the blooming season, algal colonies can, in extreme cases, cover up to 200 000 square kilometres of the Baltic Sea water surface. Because the position and shape of the blooms may significantly change in very short time due to the influence of wind and waves, regular monitoring of the blooms' development is necessary. Currently, the desired monitoring frequency may only be achieved by means of remote sensing. The article...
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On the super domination number of lexicographic product graphs
PublicationThe neighbourhood of a vertexvof a graphGis the setN(v) of all verticesadjacent tovinG. ForD⊆V(G) we defineD=V(G)\D. A setD⊆V(G) is called a super dominating set if for every vertexu∈D, there existsv∈Dsuch thatN(v)∩D={u}. The super domination number ofGis theminimum cardinality among all super dominating sets inG. In this article weobtain closed formulas and tight bounds for the super dominating number oflexicographic product...
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The Potential of Greed for Independence
PublicationThe well-known lower bound on the independence number of a graph due to Caro and Wei can be established as a performance guarantee of two natural and simple greedy algorithms or of a simple randomized algorithm. We study possible generalizations and improvements of these approaches using vertex weights and discuss conditions on so-called potential functions p(G) : V(G) -> N_0 defined on the vertex set of a graph G for which suitably...
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A more colorful hat problem
PublicationThe topic is the hat problem in which each of n players is randomly fitted with a blue or red hat. Then everybody can try to guess simultaneously his own hat color by looking at the hat colors of the other players. The team wins if at least one player guesses his hat color correctly, and no one guesses his hat color wrong; otherwise the team loses. The aim is to maximize the probability of winning. We consider a generalized hat...
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Sewage gardens - constructed wetlands for single family households
PublicationDuring the last 30 years the increase of interest in low-cost decentralized and small wastewater treatment plants (WWTP) is observed in Europe. For this purpose sand filters, stabilization ponds, mini reactors with activated sludge, trickling filters and treatment wetlands are used. Among the listed facilities treatment wetlands (TWs) offer effective and reliable treatment efficiency, being at the same time low-cost and simple...
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Novel inorganic xerogels doped with CaWO 4 :xDy: Synthesis, characterization and luminescence properties
PublicationA series of novel phosphors based on silica xerogel doped with CaWO4:xDy(III) with various concentration of dysprosium ion was synthesized over a temperature of 800 C. The thermal analysis, XRD measurement and spectroscopic investigations of these materials are presented in this study. Steady state luminescence, luminescence excitation spectra as well as emission spectra have been measured. Under the ultraviolet light, the prepared...
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Luminescent properties of Ln3+ doped tellurite glasses containing AlF3
PublicationThe low-phonon energy tellurite glasses TeO2-BaO-Bi2O3 and TeO2-BaO-Bi2O3-AlF3 triply doped with Eu3+, Tb3+, Tm3+ ions in two different molar ratios were synthesized using melt-quenching technique. Their structure and luminescence properties were widely investigated by X-ray Diffraction (XRD), Differential Scanning Calorimetry (DSC), Fourier Transform Infrared Spectroscopy (FTIR) and Photoluminescence Spectroscopy (PL). The luminescence...
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Energy efficient beam control for 5G antennas
PublicationThe rapid development of 5G and beyond systems demands improvement in communication speed, latency and safety to maintain the required quality of service. This paper presents an overview of different concepts of energy-efficient antenna systems, which offer beam-shaping and beam-steering functionalities, that enhance connectivity performance and can be used in 5G applications. Different designs for 5.9 GHz, 39 GHz and 60 GHz frequency...
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Reactions of Lithium Salts of Triphosphanes tBu2P-PLi-PtBu2 and tBu2P-PLi-P(NEt2)2 with Metal Complexes [(R3P)2MCl2] (M = Ni, Pd, Pt, R3P = Et3P, pTol3P, Ph2EtP, iPr3P)
PublicationtBu2P-PLi-PtBu2·2THF reacts with [(R3P)2MCl2] (M = Pt, Pd, Ni; R3P = Et3P, pTol3P, Ph2EtP, iPr3P) to yield isomers of [(1,2-η-tBu2P=P-PtBu2)M(PR3)Cl], in which the tBu2P-P-PtBu2 ligand adopts the arrangement of a side-on bonded 1,1-di-tert-butyl-2-(di-tert-butylphosphanyl)diphosphenium cation. tBu2P-PLi-P(NEt2)2·2THF reacts with [(R3P)2MCl2] but does not form complexes with a tBu2P-P-P(NEt2)2 moiety, however, splitting...
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Revealing the Frank–Evans “Iceberg” Structures within the Solvation Layer around Hydrophobic Solutes
PublicationUsing computer simulations, the structural properties of solvation water of three model hydrophobic molecules, methane and two fullerenes (C60 and C80), were studied. Systems were simulated at temperatures in the range of 250−298 K. By analyzing both the local ordering of the molecules of water in the solvation layers and the structure of hydrogen bond network, it is shown that in the solvation layer of hydrophobic molecules, ordered...
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Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study
PublicationThe ability to form strong intermolecular interactions by linear glucosamine polysaccharides with collagen is strictly related to their nonlinear dynamic behavior and hence bio-lubricating features. Type III collagen plays a crucial role in tissue regeneration, and its presence in the articular cartilage affects its bio-technical features. In this study, the molecular dynamics methodology was applied to evaluate the effect of...
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Biocatalytic Functionalities of Lignin Peroxidase‑Based Systems in Lignin Depolymerization and Pollutants Removal from Environmental Matrices
PublicationPurpose of Review In the presented review, we have summarized and highlighted recent developments in the use of lignin peroxidase (LiP) to remove a variety of pollutants from water matrices. The high redox potential of LiP is underlined by its excellent catalytic functionalities in the elimination of pharmaceuticals, phenolics, dyes, polycyclic aromatic hydrocarbons (PAHs), endocrine-disrupting chemicals (EDCs), and other miscellaneous...
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Biocatalytic Functionalities of Lignin Peroxidase-Based Systems in Lignin Depolymerization and Pollutants Removal from Environmental Matrices
PublicationPurpose of Review In the presented review, we have summarized and highlighted recent developments in the use of lignin peroxidase (LiP) to remove a variety of pollutants from water matrices. The high redox potential of LiP is underlined by its excellent catalytic functionalities in the elimination of pharmaceuticals, phenolics, dyes, polycyclic aromatic hydrocarbons (PAHs), endocrine-disrupting chemicals (EDCs), and other miscellaneous...
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Fatty acyl benzamido antibacterials based on inhibition of DnaK-catalyzed protein folding
PublicationWe have reported that the hsp70 chaperone DnaK from Escherichia coli might assist protein folding by catalyzing the cis/trans isomerization of secondary amide peptide bonds in unfolded or partially folded proteins. In this study a series of fatty acylated benzamido inhibitors of the cis/trans isomerase activity of DnaK was developed and tested for antibacterial effects in E. coli MC4100 cells. Nα-[Tetradecanoyl-(4-aminomethylbenzoyl)]-l-asparagine...
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Mechanism of antifreeze protein functioning and the “anchored clathrate water” concept
PublicationIn liquid water, there is a natural tendency to form aggregates that consist of water molecules linked by hydrogen bonds. Such spontaneously formed aggregates are surrounded by a "sea" of disordered water molecules, with both forms remaining in equilibrium. The process of creating water aggregates also takes place in the solvation water of proteins, but in this case the interactions of water molecules with the protein surface shift...
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3,3'-Dibenzoyl-1,1'-dibenzyl-1,1'-(ethane-1,2-diyl)dithiourea
PublicationIn the title compound, C32H30N4O2S2, the carbonyl and thiocarbonyl groups are found in a rare synclinal conformation, with an S-C···C-O pseudo-torsion angle of 62.6(2)°. The molecule has Ci = S2 point-group symmetry with a crystallographic center of inversion located in the middle of the ethylene bridge. One of the symmetry-independent phenyl...
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Antibiotic-sterol interactions provide insight into the selectivity of natural aromatic analogues of amphotericin B and their photoisomers
PublicationAromatic heptaene macrolides (AHMs) belong to the group of polyene macrolide antifungal antibiotics. Members of this group were the first to be used in the treatment of systemic fungal infections. Amphotericin B (AmB), a non-aromatic representative of heptaene macrolides, is of significant clinical importance in the treatment of internal mycoses. It includes the all-trans heptaene chromophore, whereas the native AHMs contain two...
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5-Selenocyanato and 5-trifluoromethanesulfonyl derivatives of 2′-deoxyuridine: synthesis, radiation and computational chemistry as well as cytotoxicity
Publication5-Selenocyanato-2′-deoxyuridine (SeCNdU) and 5-trifluoromethanesulfonyl-2′-deoxyuridine (OTfdU) have been synthesized and their structures have been confirmed with NMR and MS methods. Both compounds undergo dissociative electron attachment (DEA) when irradiated with X-rays in an aqueous solution containing a hydroxyl radical scavenger. The DEA yield of SeCNdU significantly exceeds that of 5-bromo-2′-deoxyuridine (BrdU), remaining...