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Wyniki wyszukiwania dla: HALOGEN BONDS
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Quadratic Cohen representations in spectral analysis of serration process in Al–Mg alloys
PublikacjaImportant from mechanical point of view the Portevin–Le Chatelier serration phenomenon is being characterized by a complicated spectral profile. As a typical example of nonstationary processes it demands a special treatment allowing to follow the evolution of energy of stress fluctuations as a function of strain. The authors suggest the utilization of a compact system of quadratic transformations, known as Cohen class, as a technique...
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Field-induced suppression of charge density wave in GdNiC2
PublikacjaWe report the specific heat, magnetic, magnetotransport, and galvanomagnetic properties of polycrystalline GdNiC 2 . In the intermediate temperature region above T N = 20 K, we observe large negative magnetoresistance due to Zeeman splitting of the electronic bands and partial destruction of a charge density wave ground state. Our magnetoresistance and Hall measurements show that at low temperatures a magnetic field-induced transformation from...
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Method of Skeletal System Modelling
PublikacjaAn original method of skeletal system modelling is presented in detail. Using DICOM images obtained from CT and PET tests, shell models of nine bones were created (humerus, radius, ulna, scapula, clavicle, femur, tibia, fibula, pelvis). Two methods of bone behaviour are also proposed, the first method treating the bone as a solid structure and the second method treating the bone as a complex porous structure. The behaviour of model...
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Effect of choline chloride based natural deep eutectic solvents on aqueous solubility and thermodynamic properties of acetaminophen
PublikacjaIn this work, natural deep eutectic solvents (NADESs) containing choline chloride as hydrogen bond acceptor and 1,2-propanediol, malic acid and tartaric acid as hydrogen bond donors have been synthesized and applied to enhance the aqueous solubility of model sparingly water-soluble drug – acetaminophen. The results indicate that the greatest impact on the solubility of acetaminophen have deep eutectic solvents based on 1,2-propanediol...
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Absorptive Desulfurization of Model Biogas Stream Using Choline Chloride-Based Deep Eutectic Solvents
PublikacjaThe paper presents a synthesis of deep eutectic solvents (DESs) based on choline chloride (ChCl) as hydrogen bond acceptor and phenol (Ph), glycol ethylene (EG), and levulinic acid (Lev) as hydrogen bond donors in 1:2 molar ratio. DESs were successfully used as absorption solvents for removal of dimethyl disulfide (DMDS) from model biogas steam. Several parameters affecting the absorption capacity and absorption rate have been...
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From the Dynamic Lattice Liquid Algorithm to the Dedicated Parallel Computer – mDLL Machine
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Water clusters in liquid organic matrices of different polarity
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Independent dynamics of low, intermediate, and high frequency spectral intracranial EEG activities during human memory formation
PublikacjaA wide spectrum of brain rhythms are engaged throughout the human cortex in cognitive functions. How the rhythms of various frequency ranges are coordinated across the space of the human cortex and time of memory processing is inconclusive. They can either be coordinated together across the frequency spectrum at the same cortical site and time or induced independently in particular bands. We used a large dataset of human intracranial...
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Highly Miniaturized Self-Diplexed U-Shaped Slot Antenna Based on Shielded QMSIW
PublikacjaThis article presents an efficient yet simple design approach to highly miniaturized cavity-backed self-diplexing antenna (SDA) with high-isolation. The structure employs a shielded quarter-mode substrate integrated waveguide (QMSIW). Two U-shaped slots are engraved on the top conducting plane, which realize two frequency bands and significant size reduction. The slots are excited by two independent 50Ω orthogonal feed-lines to...
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Raman investigation of the patina layers on Hungarian copper ingots from a fifteenth century shipwreck
PublikacjaWe report results of the patina study of underwater archeological finding ofmedieval copper objects performed by means of the Raman and complementary spectroscopic techniques. The objects were found submerged in the sea as cargo part of the ship which sunk in the Gulf of Gdańsk in 1408. The excavated collection consists of 230 oval ingots of the size and mass up to about 60 cm and 18 kg (total of 2 tons), respectively. In the Raman...
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Shielded HMSIW-based frequency-tunable self-quadruplexing antenna using different solid/liquid dielectrics
PublikacjaThis article proposes a frequency-tunable self-quadruplexing antenna based on a shielded half-mode substrate integrated waveguide (S-HMSIW). In order to reduce the size of the HMSIW cavity resonator and to obtain quad-band characteristics, a modied E-shaped slot is engraved on the top of the metal. The experimental validation is carried out after analyzing the data using a circuit model. Flexibility of each resonant frequency is...
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Opracowanie dogodnej metody tworzenia wiązań S-C o hybrydyzacji atomu węgla sp oraz sp2
PublikacjaBadania przeprowadzone w Katedrze Chemii Organicznej Wydziału Chemicznego Politechniki Gdańskiej na przestrzeni ostatnich kilku lat, pokazały wszechstronność pochodnych kwasu neopentylidenofosforoditiowego. Dotychczasowe wyniki badań doprowadziły mnie do opracowania nowych strategii syntetycznych, umożliwiających otrzymywanie związków zawierających wiązanie C-S o hybrydyzacji atomu węgla sp oraz sp2. Analizując wyniki badań opracowałam...
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Social Capital, Human Capital, Tacit Knowledge, and Innovations: A Polish-US Cross-Country Study
PublikacjaThis study measures the relationship between human and social capital (internal and external) and tacit knowledge sharing's influence on innovativeness among knowledge workers employed in Polish (n=1050) and US (n=1118) organizations. The structural equation modeling method revealed that internal social capital matters more for organizational innovativeness in the US. In Poland, both external and internal were important. Specifically,...
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Hopping or Tunneling? Tailoring the Electron Transport Mechanisms through Hydrogen Bonding Geometry in the Boron-Doped Diamond Molecular Junctions
PublikacjaMechanisms of charge transport in molecular junctions involving hydrogen bonds are complex and remain mostly unclear. This study is focused on the elucidation of the electron transfer in a molecular device consisting of two boron-doped diamond interfaces bound with an aromatic linker and a hydrogen bonding surrogating molecule. The projected local density of states (PLODS) analysis coupled with transmission spectra and current−voltage...
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Influence of pyrolysis atmosphere on the lithium storage properties of carbon-rich polymer derived SiOC ceramic anodes
PublikacjaPolymer derived carbon-rich SiOC ceramics are prepared from polysiloxane precursors through a pyrolysis process at 1000 °C using pure argon and argon/hydrogen mixture as pyrolysis atmosphere. The precursor is synthesized from a linear (Si–H)-containing polysiloxane cross-linked with divinylbenzene using hydrosilylation reaction in the presence of a platinum catalyst. Pyrolysis in Ar/H2 mixtures, compared to the treatment under...
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Synthesis and electrochemical characteristics of novel dithiocarbamate polymers
PublikacjaNovel dithiocarbamate compounds have been obtained by reacting a linear poly(ethylenimine)polymer, MW 50,000, with CS2. The resulting anionic polymers contain, depending on the reaction conditions, up to two sulfur atoms per one nitrogen atom (approx. 40% w/w). The polymers are soluble in dimethylsulfoxide and insoluble in acetonitrile solutions. In both solvents they are electrochemically active, in the latter case as a cast film...
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Rapid and Green Separation of Mono- and Diesters of Monochloropropanediols by Ultrahigh Performance Supercritical Fluid Chromatography–Mass Spectrometry Using Neat Carbon Dioxide as a Mobile Phase
PublikacjaThis study demonstrates the effect of column selectivity and density of supercritical carbon dioxide (SC-CO2) on the separation of monochloropropanediol (MCPD) esters, known as food toxicants, using SC-CO2 without addition of cosolvent in ultrahigh performance supercritical fluid chromatography–mass spectrometry (UHPSFC-MS). This study shows that over 20 2-monochloropropanediol (2-MCPD) and 3-monochloropropanediol (3-MCPD) mono-...
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Cold plasma treatment of tannic acid as a green technology for the fabrication of advanced cross-linkers for bioactive collagen/gelatin hydrogels
PublikacjaTannic acid (TA) is a natural compound studied as the cross-linker for biopolymers due to its ability to form hydrogen bonds. There are different methods to improve its reactivity and effectiveness to be used as a modifier for biopolymeric materials. This work employed plasma to modify tannic acid TA, which was then used as a cross-linker for fabricating collagen/gelatin scaffolds. Plasma treatment did not cause any significant...
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Book Chapter in the Prime Archives in Chemistry: 2nd Edition (dissemination of knowledge)
PublikacjaTo cite a chapter in a book include: Jaroslaw Spychala. The CON−H….+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway. In: VSR Rajasekhar Pullabhotla, editor. Prime Archives in Chemistry: 2nd Edition. Hyderabad, India: Vide Leaf. 2022. https://doi.org/10.1155/2022/1707245
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Efficient Method for the Synthesis of Functionalized Basic Maleimides
PublikacjaA three-step procedure involving Diels-Alder condensation of maleic anhydride with furane, formation of N-substituted imide upon reaction with appropriate diamine and a final retro Diels-Alder regeneration of the maleic carbon-carbon double bond is proposed for an unequivocal synthesis of N-substituted basic maleimides. The novel method is characterized by mild reaction conditions, easy work-up, high yields and no need for additional...
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On the independence number of some strong products of cycle-powers
PublikacjaIn the paper we give some theoretical and computational results on the third strong power of cycle-powers, for example, we have found the independence numbers alpha((C^2_10)^⊠3) = 30 and alpha((C^4 _14)^⊠3) = 14. A number of optimizations have been introduced to improve the running time of our exhaustive algorithm used to establish the independence number of the third strong power of cycle-powers. Moreover, our results establish...
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Reconfiguring Minimum Dominating Sets in Trees
PublikacjaWe provide tight bounds on the diameter of γ-graphs, which are reconfiguration graphs of the minimum dominating sets of a graph G. In particular, we prove that for any tree T of order n ≥ 3, the diameter of its γ-graph is at most n/2 in the single vertex replacement adjacency model, whereas in the slide adjacency model, it is at most 2(n − 1)/3. Our proof is constructive, leading to a simple linear-time algorithm for determining...
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Photoelectron and threshold photoelectron valence spectra of pyridine
Publikacja. The pyridine molecule has been examined by the means of photoelectron and threshold photoelectron spectroscopies. Ionization energies were determined for both outer and inner valence orbitals and new adiabatic values were also resolved. Vibronic structure associated with several states was assigned mainly to be due to C–C stretches and ring bends. Additionally a Rydberg state converging to 7b2 state was ascribed. The data shown...
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Magnetism and charge density waves in RNiC2(R=Ce,Pr,Nd)
PublikacjaWe have compared the magnetic, transport, galvanomagnetic, and specific-heat properties of CeNiC2, PrNiC2, and NdNiC2 to study the interplay between charge density waves (CDW) and magnetism in these compounds. The negative magnetoresistance in NdNiC2 is discussed in terms of the partial destruction of charge density waves and an irreversible phase transition stabilized by the field-induced ferromagnetic transformation is reported....
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Deep eutectic solvents based highly efficient extractive desulfurization of fuels – Eco-friendly approach
PublikacjaThe developed process is based on alternative, green and cheap solvents for efficient desulfurization of fuels. Several deep eutectic solvents (DESs) were successfully synthesized and studied as extraction solvents for desulfurization of model fuel containing thiophene (T), benzothiophene (BT) and dibenzothiophene (DBT). The most important extraction parameters (i.e. kind of DES, DES: fuel volume ratio, hydrogen bond acceptor:...
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Design and Optimization of Metamaterial-Based Dual-Band 28/38 GHz 5G MIMO Antenna with Modified Ground for Isolation and Bandwidth Improvement
PublikacjaThis letter presents a high-isolation dual-band multiple-input multiple-output (MIMO) antenna based on the ground plane modification and optimized metamaterials (MMs) for 5G millimeter-wave applications. The antenna is a monopole providing a dual-band response at 5G 28/38 bands with a small physical size (4.8 × 2.9 × 0.762 mm3, excluding the feeding line). The MIMO consists of two symmetric radiating elements arranged adjacently...
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Superconducting SrSnP with Strong Sn–P Antibonding Interaction: Is the Sn Atom Single or Mixed Valent?
PublikacjaThe large single crystals of SrSnP were prepared using Sn self-flux method. The superconductivity in the tetragonal SrSnP is observed with the critical temperature of ∼2.3 K. The results of a crystallographic analysis, superconducting characterization, and theoretical assessment of tetragonal SrSnP are presented. The SrSnP crystallizes in the CaGaN structure type with space group P4/nmm (S.G. 129, Pearson symbol tP6) according...
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High Isolation Metamaterial-based Dual-band MIMO Antenna for 5G Millimeter-wave Applications
PublikacjaThis article presents a high-isolation metamaterial-based dual-band multiple-input multiple-output (MIMO) antenna for 5G millimeter-wave communication networks. The proposed antenna is a pentagon-shaped monopole that provides a dual-band response with a wide operating bandwidth at 5G 28/28 bands. The antenna is printed on 0.508-mm-thick Rogers RT5880 substrate of relative permittivity ɛr =2.2. It exhibits a small physical size...
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ON THE NON-LOCALITY OF TRIPARTITE NON-SINGALING BOXES EMERGING FROM WIRINGS
PublikacjaIt has been recently shown, that some of the tripartite boxes admittin g bilocal decom- position, lead to non-locality under wiring operation applied to t wo of the subsystems [R. Gallego et al. Physical Review Letters 109 , 070401 (2012)]. In the following, we study this phenomenon quantitatively. Basing on the known classes of bo xes closed un- der wirings, we introduce multipartite monotones which are count erparts of bipartite ones...
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The influence of polarization of titania nanotubes modified by a hybrid system made of a conducting polymer PEDOT and Prussian Blue redox network on the Raman spectroscopy response and photoelectrochemical properties
PublikacjaIn this work we show the impact of applied potential on network vibrations and photoelectrochemical properties of a composite material containing hydrogenated titania nanotubes and poly (3,4-ethylenedioxythiophene) with iron hexacyanoferrate (H-TiO2/pEDOT:Fehcf) acting as a redox centre. For this purpose, Raman spectroscopy measurements under the working electrode (WE) polarization were carried out, allowing investigation of changes...
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General, Mild, and Metal-Free Functionalization of Indole and Its Derivatives Through Direct C3-Selenylation
PublikacjaA very mild method for the introduction of functionalized alkylselenyl group at C-3 position of the indole ring was developed. The proposed procedure consists of an electrophilic substitution of indole and its derivatives with bis(O,O-diisopropoxyphosphorothioyl) diselenide and subsequent cleavage of the P–Se bond with tetrabutylammonium fluoride in the presence of various electrophilic reagents. This method can be successfully...
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Pomiary grubości cienkich warstw metodą modulacji chromatycznej.
PublikacjaTematem artykułu jest pomiar grubości struktur cienkowarstwowych szerokostosowanych w optoelektronice, transparentnych warstw dielektrycznych. Grubość jest najistotniejszym parametrem warstwy i determinuje jej właściwościoptyczne. Metoda pomiaru grubości cienkich warstw powinna być bezkontaktowa, nieniszcząca, niekosztowna oraz odporna na zakłócenia
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Bistability in a One-Dimensional Model of a Two-Predators-One-Prey Population Dynamics System
PublikacjaIn this paper, we study a classical two-predators-one-prey model. The classical model described by a system of three ordinary differential equations can be reduced to a one-dimensional bimodalmap. We prove that this map has at most two stable periodic orbits. Besides, we describe the bifurcation structure of the map. Finally, we describe a mechanism that leads to bistable regimes. Taking this mechanism into account, one can easily...
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Influence of nodes with positive eccentricity on load-carrying capasity of truss' top chords in trusses made of welded cold-formed members.
PublikacjaIn order to establish the influence of eccentric crossing of truss members on the load-carrying capacity of the folded chord of a hat-section truss, a research model was created and preliminary numerical analysis of the truss was performed with the use of Marc Mentat programme. Distorial instability of crossheads caused by deviation of loose (unmounted) channel section web’s bends was observed. Due to the slenderness of the section’s...
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Fuzzy regresion approach to road safety analysis at regional level
PublikacjaRoad safety modelling on regional level of NUTS 2 in the EU is the complex issue and authors of this article indicate this in previous publications. NUTS 2 are basic regions for the application of regional policies (0.8-3 m inhabitants). During multivariate models development they discovered that it is difficult to make regression model well described all regions, even if they are from one country. In the first step Poisson model...
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Dual-band antenna with improved gain for WLAN and ISM applications
PublikacjaIn this Letter, a dual-band antenna with an improved gain is proposed. The structure features 9.7 and 10.4 dBi gain within 2.4 GHz to 2.5 GHz and 5 GHz to 6 GHz bands, respectively. This makes it suitable for WLAN and ISM applications. The structure comprises an asymmetrical pair of radiators and slots suspended over a reflector. The antenna is optimised in a two-stage process using a trust-region-based gradient search algorithm....
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The importance of the shape of the protein–water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublikacjaA single kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in the solvation shell change along with the nature of the neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water are not very different from bulk water. The local...
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Effect of chemical structure on complexation efficiency of aromatic drugs with cyclodextrins: The example of dibenzazepine derivatives
PublikacjaIt is widely believed that the hydrophobic effect governs the binding of guest molecules to cyclodextrins (CDs). However, it is also known that high hydrophobicity of guest molecules does not always translate to the formation of stable inclusion complexes with CDs. Indeed, a plethora of other factors can play a role in the efficiency of guest–CD interactions, rendering structure-based prediction of the complexation efficiency with...
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Experimental determination of basic mechanical properties of elastomeric polymer
PublikacjaThere are a lot of different methods of repairing and reinforcing damaged structures, but when it comes to historical buildings and other cultural heritage objects, it is as much about mechanical safety as the aesthetical aspects. Recently, a new and innovative method of repairing damaged structures by filling the cracks with a specially prepared polymer mass has been proposed. This new and innovative technique, known as the Flexible...
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Alternative Methods of Preparation of Soluble Keratin from Chicken Feathers
PublikacjaHuge amount of keratinous waste, especially birds’ feathers, demands more value-added application instead of dumping. The present work reports the results of experiments aimed at preparing soluble keratin useful for novel bioproduct formation. The effect of thermo-chemical treatments with various reducing agents, i.e. 2-mercaptoethanol, dithiothreitol, sodium m-bisulphite, and sodium bisulphite, as well as sodium hydroxide, on...
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The importance of the shape of the protein-water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublikacjaSingle kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in solvation shell change along with the nature of neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water is not very different from bulk water. The local values of...
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Ensemble-Based Logistic Model Trees for Website Phishing Detection
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Stormwater and snowmelt runoff storage control and flash flood hazard forecasting in the urbanized coastal basin.
PublikacjaCity of Gdańsk is located in a coastal region where changing climatic conditions increase the frequency of extreme weather events. Developing urbanization affects the hydrology of natural basins by simplification of the drainage system and reduction of infiltration and base flow. Consequently greater runoff rates flow into storm water collection systems, reservoirs and surrounding water bodies. Not only infrastructures of urban...
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How acidic amino acid residues facilitate DNA target site selection
PublikacjaDespite the negative charge of the DNA backbone, acidic residues (Asp/Glu) commonly participate in the base readout, with a strong preference for cytosine. In fact, in the solved DNA/protein structures, cytosine is recognized almost exclusively by Asp/Glu through a direct hydrogen bond, while at the same time, adenine, regardless of its amino group, shows no propensity for Asp/Glu. Here, we analyzed the contribution of Asp/Glu...
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Experimental and predicted physicochemical properties of monopropanolamine-based deep eutectic solvents
PublikacjaIn this work, the novel deep eutectic solvents (DESs) based on 3-amino-1-propanol (AP) as hydrogen bond donor (HBD) and tetrabutylammonium bromide (TBAB) or tetrabutylammonium chloride (TBAC) or tetraethylammonium chloride (TEAC) as hydrogen bond acceptors (HBAs) were synthesized with different molar ratios of 1: 4, 1: 6 and 1: 8 salt to AP. Fourier Transform Infrared Spectroscopy measurements were performed to provide an evidence...
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Hydrophobic deep eutectic solvents in microextraction techniques–A review
PublikacjaOver the past decade, deep eutectic solvents (DES) have been widely studied and applied in sample preparation techniques. Until recently, most of the synthesized DES were hydrophilic, which prevented their use in the extraction of aqueous samples. However, after 2015 studies on the synthesis and application of hydrophobic deep eutectic solvents (HDES) has rapidly expanded. Due to unique properties of HDES i.e. density, viscosity,...
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Experimental and predicted physicochemical properties of monopropanolamine-based deep eutectic solvents
PublikacjaIn this work, the novel deep eutectic solvents (DESs) based on 3-amino-1-propanol (AP) as hydrogen bond donor (HBD) and tetrabutylammonium bromide (TBAB) or tetrabutylammonium chloride (TBAC) or tetraethylammonium chloride (TEAC) as hydrogen bond acceptors (HBAs) were synthesized with different molar ratios of 1:4, 1:6 and 1:8 salt to AP. Fourier Transform Infrared Spectroscopy measurements were performed to provide an evidence...
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Empirical Analysis of Forest Penalizing Attribute and Its Enhanced Variations for Android Malware Detection
PublikacjaAs a result of the rapid advancement of mobile and internet technology, a plethora of new mobile security risks has recently emerged. Many techniques have been developed to address the risks associated with Android malware. The most extensively used method for identifying Android malware is signature-based detection. The drawback of this method, however, is that it is unable to detect unknown malware. As a consequence of this problem,...
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COMPUTER-AIDED DESIGN OF ORGANOPHOSPHORUS INHIBITORS OF UREASE
PublikacjaBased on the structure of the most potential inhibitor diamidophosphate, various novel groups of inhibitors were developed by knowledge-based design approach with covalent carbon-phosphorus or carbon-phosphorus-carbon bond to improve hydrolytic stability to inhibit the microbial ureases. Designed compounds were evaluated with 10 (LigScore1, LigScore2, PLP1, PLP2, JAIN, PMF, PMF04, LUDI_1, LUDI_2 and LUDI_3) different scoring functions...
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Bernstein-type theorem for ϕ-Laplacian
PublikacjaIn this paper we obtain a solution to the second-order boundary value problem of the form \frac{d}{dt}\varPhi'(\dot{u})=f(t,u,\dot{u}), t\in [0,1], u\colon \mathbb {R}\to \mathbb {R} with Sturm–Liouville boundary conditions, where \varPhi\colon \mathbb {R}\to \mathbb {R} is a strictly convex, differentiable function and f\colon[0,1]\times \mathbb {R}\times \mathbb {R}\to \mathbb {R} is continuous and satisfies a suitable growth...