Search results for: complaxes
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Preparation of Allyl Alcohol Oligomers Using Dipicolinate Oxovanadium(IV) Coordination Compound
PublicationCurrently, new precatalysts for olefin oligomerization are being sought in the group of vanadium(IV) complexes. Thus, the aim of our research was to examine the catalytic activity of the oxovanadium(IV) dipicolinate complex [VO(dipic)(H2O)2] 2 H2O (dipic = pyridine-2,6-dicarboxylate anion) in 2-propen-1-ol oligomerization as well as to characterize oligomerization products using matrix-assisted laser desorption/ionization–time-of-flight...
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PREDICTING CORPORATE BANKRUPTCIES IN POLAND AND LITHUANIA – COMPARATIVE ANALYSIS
PublicationThe research on predicting bankruptcies of enterprises constitutes one of the most important areas of financial management. In developed countries, the first publications on the subject appeared in the early 20th century. The situation is different in the countries of Eastern Europe, which introduced the market system already at the beginning of the 1990s, which resulted in first corporate bankruptcies. The article...
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Addressing the Weaknesses of Multi-Criteria Decision-Making Methods using Python
PublicationThe book aims to draw attention to the weaknesses in Multi-Criteria Decision-Making (MCDM) methods and provide insights to improve the decision-making process. By addressing these weaknesses, it seeks to enhance the accuracy and effectiveness of MCDM methods in selecting the best alternatives in various fields. The book covers popular MCDM methods such as TOPSIS, ELECTRE, VIKOR, and PROMETHEE. It compares traditional methods with...
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Analytical eco-scale for assessing the greenness of analytical procedures
PublicationWe propose the analytical eco-scale as a novel comprehensive approach to evaluating the greenness of analytical methodology. It is based on assigning penalty points to parameters of an analytical process that are not in agreement with the ideal green analysis. This approach compares different parameters and different steps of the analytical process. Traditional green chemistry metrics 9e.g. Atom Economy, E-factor and Reaction Mass...
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Standards Conformity Framework in comparison with contemporary methods supporting standards application
PublicationAchieving and assessing conformity with standards and compliance with various sets of requirements generates significant costs for contemporary economies. Great deal of this is spent on fulfilment of safety and security requirements. However, standards application is not supported sufficiently by the tools available on the market. Therefore, Standards Conformity Framework (SCF) containing methods and tools which provide support...
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Classification of Music Genres by Means of Listening Tests and Decision Algorithms
PublicationThe paper compares the results of audio excerpt assignment to a music genre obtained in listening tests and classification by means of decision algorithms. A short review on music description employing music styles and genres is given. Then, assumptions of listening tests to be carried out along with an online survey for assigning audio samples to selected music genres are presented. A framework for music parametrization is created...
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Wind Conditions in Urban Layout – Numerical and Experimental Research
PublicationThis paper presents research which compares the numerical and the experimental results for different cases of airflow around a few urban layouts. The study is concerned mostly with the analysis of parameters, such as pressure and velocity fields, which are essential in the building industry. Numerical simulations have been performed by the commercial software Fluent, with the use of a few different turbulence models, including...
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Drug-resistant and hospital-associated Enterococcus faecium from wastewater, riverine estuary and anthropogenically impacted marine catchment basin.
PublicationEnterococci, ubiquitous colonizers of humans and other animals, play an increasingly important role in health-care associated infections (HAIs). Acquisition of resistance determinants not only seriously limits available therapeutic options but also increases available gene pool for other species. It is believed that the recent evolution of two clinically relevant species, Enterococcus faecalis and Enterococcus faecium occurred...
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Distribution and removal efficiency of heavy metals in two constructed wetlands treating landfill leachate
PublicationThe results of heavy metals (Fe, Mn, Zn, Ni, Cu, Cr, Pb, Cd) removal and partitioning between aqueous and solid phases at two wetlands (TWs) treating municipal landfill leachates are presented. One of the TWs is a surface flow facility consisting of 10 ponds. The other TW is a newly constructed pilot-scale facility consisting of three beds with alternately vertical and horizontal sub-surface flow. The metals concentrations were...
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π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex
PublicationThe synthesis and characterization of a mixed metal ruthenium(II)/gold(III) complex bridged by tetrapyridophenazine (tpphz) are described. It is isostructural and isoelectronic to the well-known photocatalysts with palladium(II) or platinum(II). Concentration dependent 1H-NMR spectroscopy and XRD studies show that the electrostatic repulsion between the gold(III) moieties exceeds the attractive π-stacking interaction. Theoretical...
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DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
PublicationInteractions between a solvent and their co-solute molecules in solutions of peptides are crucial for their stability and structure. The K-peptide is a synthetic fragment of a larger hen egg white lysozyme protein that is believed to be able to aggregate into amyloid structures. In this study, a complex experimental and theoretical approach is applied to study systems comprising the peptide, water, and two co-solutes: trimethylamide...
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Quantitative fluorescent determination of DNA – Ochratoxin a interactions supported by nitrogen-vacancy rich nanodiamonds
PublicationOchratoxin A (OTA) is a hazardous contaminant of a large variety of plant and animal originated food. Herein, we report an interaction of OTA with calf thymus DNA (ct DNA) on the nanodiamond surface. We employed multispectroscopic techniques to elucidate the binding mechanism of OTA with ct DNA. The fluorescence and UV–Vis spectroscopy results show that OTA binds to ds ct DNA and forms complexes. We obtained the binding constants...
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Anomalous Behavior of Hyaluronan Crosslinking Due to the Presence of Excess Phospholipids in the Articular Cartilage System of Osteoarthritis
PublicationLubrication of articular cartilage is a complex multiscale phenomenon in synovial joint organ systems. In these systems, synovial fluid properties result from synergistic interactions between a variety of molecular constituent. Two molecular classes in particular are of importance in understanding lubrication mechanisms: hyaluronic acid and phospholipids. The purpose of this study is to evaluate interactions between hyaluronic acid...
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A Rapid and Simple Method for Screening Microorganisms with a Potential for Catechol Biodegradation
PublicationCatechol is a highly toxic compound that is also a key intermediate in biodegradation pathways of various aromatic compounds. In this paper, a new screening method for isolation of microorganisms with the potential for catechol biodegradation is reported. The method described is based on the ability of catechol to form a color complex with Fe3+ ions. For this purpose, basal medium that is widely used for classification of microorganisms...
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Comparison of different types of electronic nose instruments for evaluation of odour nuisance from landfill
PublicationThe paper presents and compares the results of investigation on classification of atmospheric air samples collected in a vicinity of municipal landfill with respect to their odour nuisance. The research was conducted using a prototype of electronic nose instrument and a commercial electronic nose of Fast/Flash GC type – HERACLES II. The prototype was equipped with six semiconductor sensors of TGS type. Classification of the air...
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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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Laboratory bioreactor with pH control system for investigations of hydrogen production in the dark fermentation process
PublicationThe work presents the construction of a low-cost research bioreactor equipped with a pH control sys-tem. The developed bioreactor was applied for hydrogen production in the dark fermentation process using Enterobacter aerogenes ATCC 13048. Presented paper compares the results obtained during the process without and with pH regulation for different feed materials: glucose, energetic poplar hydro-lysates, acid whey and glycerol....
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On optimal tracking of rapidly varying telecommunication channels
PublicationWhen parameters of mobile telecommunication channels change rapidly, classical adaptive filters, such as exponentially weighted least squares algorithms or gradient algorithms, fail to estimate them with sufficient accuracy. In cases like this, one can use identification methods based on explicit models of parameter changes such as the method of basis functions (BF). When prior knowledge about parameter changes is available the...
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Power converter interface for urban DC traction substations - solutions and functionality.
PublicationThis paper focuses on extending an urban DC traction substation functionality by means of an additional power converter interface (PCI). In particular, by enabling bidirectional energy exchange between LV DC traction grid, AC grid and V2G chargers. Among other things, the presented material compares general attributes of the most promising DC/DC converters that can be used in a PCI, meet the requirements of galvanic isolation and...
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Synthesis of 5-Substituted 1H-Tetrazoles from Nitriles in the Presence of Heterogeneous Catalyst
PublicationTetrazoles are five-membered heterocyclic compounds containing in their rings four nitrogen atoms. They have wide applications as corrosion inhibitors, analytical reagents, high-energy materials and gas generating compositions. Tetrazoles also play important role in coordination chemistry as ligands and in medicinal chemistry as metabolically stable surrogates for carboxylic acids. In recent years, investigation of new method of...
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Local Structure and Stability of SEI in Graphite and ZFO Electrodes Probed by As K-edge Absorption Spectroscopy
PublicationThe evolution of the solid electrolyte interphase (SEI) during the first Li uptake in advanced Li-ion electrodes is studied by X-ray absorption spectroscopy (XAS). The As atoms present in the electrolyte solution were used as a local probe for monitoring the SEI growth on different electrodes. High-quality As K-edge spectra were collected in fluorescence mode for a set of graphite and carbon-coated ZnFe2O4 electrodes. XAS measurements...
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Applicability of phenolic acids as effective enhancers of cocrystals solubility of methylxanthines
PublicationApplicability of phenolic acids as potential cocrystal formers for methylxanthine derivatives was analyzed both in terms of cocrystallization probabilities and solubility advantage. The cocrystal formation abilities were evaluated using mixing enthalpy estimated within the conductor like screening model for real solvents (COSMO-RS) framework. The solubility improvement of potential cocrystals was estimated by formulation of the...
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Interplay between Aryl···Perfluoroaryl and Hydrogen Bonding Interactions in Cocrystals of Pentafluorophenol with Molecules of Trigonal Symmetry
PublicationCocrystals of seven star-shaped triaryl compounds with pentafluorophenol (pfp) were prepared and structurally characterized by the single-crystal X-ray diffraction method. Cocrystallization of pfp with planar (or almost planar) compounds gave six 3:1 molecular complexes with well-defined layered structures. The layers are composed of alternating pfp3 trimers, linked by hydrogen bonding, and triaryl molecules held together in planes...
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Zastosowanie specjalnego uziemienia żył powrotnych w liniach kablowych SN
PublicationW artykule porównano metody uziemiania żył powrotnych kabli średniego napięcia. Głównym kryterium oceny poszczególnych rozwiązań było ograniczenie strat w przesyle energii elektrycznej oraz zapewnienie ochrony przeciwprzepięciowej osłon kabli. Na podstawie symulacji kabli zamodelowanych w programie CYMCAP i otrzymanych wyników obciążalności prądowej i strat w linii zaprezentowano metodę krzyżowania żył powrotnych (CB – cross-bonding...
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Road traffic can be predicted by machine learning equally effectively as by complex microscopic model
PublicationSince high-quality real data acquired from selected road sections are not always available, a traffic control solution can use data from software traffic simulators working offline. The results show that in contrast to microscopic traffic simulation, the algorithms employing neural networks can work in real-time, so they can be used, among others, to determine the speed displayed on variable message road signs. This paper describes...
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MULTI-CRITERIA COMPARATIVE ANALYSIS OF THE USE OF SUBTRACTIVE AND ADDITIVE TECHNOLOGIES IN THE MANUFACTURING OF OFFSHORE MACHINERY COMPONENTS
PublicationThe dynamic development of additive manufacturing technologies, especially over the last few years, has increased the range of possible industrial applications of 3D printed elements. This is a consequence of the distinct advantages of additive techniques, which include the possibility of improving the mechanical strength of products and shortening lead times. Offshore industry is one of these promising areas for the application...
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Training Services in Small and Medium-sized Enterprises: Evidence from Poland
PublicationIn the knowledge-based economy knowledge and skills are becoming more and more significant for the success of companies. This applies also to firms from small and medium-sized enterprises (SMEs) sector. As large companies in many cases posses special divisions devoted to trainings, they normally have no problems with updating the knowledge and skills of their employees. The situation is different with regard to SMEs, which often...
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Numerical simulations of novel GFRP sandwich footbridge
PublicationIn the following paper some aspects of numerical analysis and designing stages of a footbridge made of composite materials are elucidated. Because of the used materials the design process in this case is not ordinary and requires the development of concepts, material selections, identification of material properties, numerical simulations, strength calculations, serviceability and durability analyses. This contribution presents...
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Application of OFDM technique to underwater acoustic data transmission
PublicationPerformances of underwater acoustic communication (UAC) digital systems are strongly related to specific transmission properties of the underwater channel. Depending on the characteristics of the channel, an architecture and modulation techniques are usually implemented that are known as reliable solutions for data transmission in difficult radio channels. The OFDM technique seems to be the most promising nowadays. The parameters...
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Shadow Economy in Poland Recent Evidence Based on Survey Data
PublicationThe book provides an estimate of the size of the shadow economy in Poland. Using analogous data, it traces core determinants of the existence of the shadow economy in Poland. It compares results with neighbouring countries, and if possible, the remaining Central-Eastern economies. The book tells why the problem of the unreported economic activity matters; it presents the problem from different angles―economic, social and institutional....
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Comparison of the Effectiveness of Health Systems in The European Countries-Two-Stage DEA Model
PublicationThis article compares the efficiency of health systems in selected European countries using two-stage data envelopment analysis (DEA), based on data from the EUROSTAT database. In the first step, DEA efficiency scores were calculated for health care systems and, subsequently, the external variables describing lifestyle were used to calculate the truncated regression. Health care resources (physicians, nurses, hospital beds, financial...
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Non-destructive Diagnostics of the Floor in the Gdańsk Crane Using Ground Penetrating Radar = Diagnostyka nieniszcząca posadzki w gdańskim Żurawiu z zastosowaniem metody georadarowej
PublicationThis paper presents the results of a ground penetrating radar (GPR) survey carried out at the Crane in Gdańsk. The measurements were conducted on the floor of the southern and northern towers. The aim of the experiment is to assess the possibility of detecting anomalies beneath the floor. The surveys were carried out in a non-destructive manner, using a georadar unit with 2 GHz and 400/900 MHz antennas. This paper compares the...
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Numerical Modeling of Cone Penetration Test in Slightly Overconsolidated Clay with Arbitrary Lagrangian-Eulerian Formulation
PublicationIn this paper the results of the cone penetration test (CPT) modeling with the arbitrary Lagrangian-Eulerian (ALE) formulation provided by Abaqus software package have been presented. The study compares the cone resistance and sleeve friction obtained in numerical analysis with values measured in soundings performed in the uniform layer of clayey soil in the Koszalin area. The clay layer was found to be slightly overconsolidated...
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Selection Pressure in the Evolutionary Path Planning Problem
PublicationThis article compares an impact of using various post-selection methods on the selection pressure and the quality of the solution for the problem of planning the path for a moving object using the evolutionary method. The concept of selection pressure and different methods of post-selection are presented. Article analyses behaviour of post-selection for four options of evolutionary algorithms. Based on the results achieved, waveform...
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Stereo Camera Upgraded to Equal Baseline Multiple Camera Set (EBMCS)
PublicationThe paper presents the results of using a set of five cameras called Equal Baseline Multiple Camera Set (EBMCS) for making 3D images, disparity maps and depth maps. Cameras in the set are located in the vicinity of each other and therefore the set can be used for the purpose of stereoscopy similarly as a stereo camera.EBMCS provides disparity maps and depth maps which have a better quality than these maps obtained with the use...
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Artificial-Hand Technology—Current State of Knowledge in Designing and Forecasting Changes
PublicationThe subject of human-hand versatility has been intensively investigated for many years. Emerging robotic constructions change continuously in order to mimic natural mechanisms as accurately as possible. Such an attitude is motivated by the demand for humanoid robots with sophisticated end effectors and highly biomimic prostheses. This paper provides wide analysis of more than 80 devices that have been created over the last 40 years....
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Reactivity of Phosphanylphosphinidene Complex of Tungsten(VI) toward Phosphines: A New Method of Synthesis of catena-Polyphosphorus Ligands
PublicationThe 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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Guanosine Dianions Hydrated by One to Four Water Molecules
PublicationIntermolecular interactions such as those present in molecule···water complexes may profoundly influence the physicochemical properties of molecules. Here, we carried out an experimental–computational study on doubly deprotonated guanosine monophosphate···water clusters, [dGMP – 2H]2–·nH2O (n = 1–4), using a combination of negative anion photoelectron spectroscopy (NIPES) with molecular dynamics (MD) and quantum chemical (QM) calculations....
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QRS Morphology-Based EDR Signal—Factors Determining its Properties
PublicationRespiration-induced signals contain a clinically significant information. It could be obtained utilizing both direct and indirect methods. ECG-Derived Respiration (EDR) method is the latter one. However, in this case, two approaches could be distinguished. First one is based on determining changes in the morphology of QRS complexes while the second one is based on the Respiratory Sinus Arrhythmia (RSA) mechanism. The former approach...
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Mangiferin Affects Melanin Synthesis by an Influence on Tyrosinase: Inhibition, Mechanism of Action and Molecular Docking Studies
PublicationMangiferin is a strong antioxidant that presents a wide range of biological activities. The aim of this study was to evaluate, for the first time, the influence of mangiferin on tyrosinase, an enzyme responsible for melanin synthesis and the unwanted browning process of food. The research included both the kinetics and molecular interactions between tyrosinase and mangiferin. The research proved that mangiferin inhibits tyrosinase...
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The origins of the brick architecture in Pomerania
PublicationTraditionally, brick is one of the most popular building materials on the southern coast of the Baltic Sea. Although the origins of brick architecture have been the subject of numerous research studies, their results were focused on the Kingdom of Denmark, merchant-towns and the State of the Teutonic Order. Most scholars claimed that Pomeranian architecture had not been as developed as that in the neighbouring countries. Moreover,...
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A strong preference for the TA/TA dinucleotide step discovered for an acridine-based, potent antitumor dsDNA intercalator, C-1305: NMR-driven structural and sequence-specificity studies
PublicationTriazoloacridinone C-1305, a potent antitumor agent recommended for Phase I clinical trials, exhibits high activity towards a wide range of experimental colon carcinomas, in many cases associated with complete tumor regression. C-1305 is a well-established dsDNA intercalator, yet no information on its mode of binding into DNA is available to date. Herein, we present the NMR-driven and MD-refined reconstruction of the 3D structures...
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Algorytmy wykrywania krawędzi w obrazie
PublicationWykrywanie krawędzi jest pierwszym etapem w cyfrowym przetwarzaniu obrazów. Operacja ta polega na usunięciu informacji takich jak kolor czy też jasność, a pozostawieniu jedynie krawędzi. Efektem tej operacji jest znaczna redukcja ilości danych do dalszej analizy. Pozwala to na zastosowanie w następnych etapach bardziej złożonych algorytmów rozpoznawania obiektów na podstawie kształtu. W artykule zaprezentowano zastosowanie algorytmów...
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Utilization of oriented crystal growth for screening of aromatic carboxylic acids cocrystallization with urea
PublicationThe possibility of molecular complex formation in the solid state of urea with benzoic acid analogues was measured directly on the crystallite films deposited on the glass surface using powder X-ray diffractometry (PXRD). Obtained solid mixtures were also analyzed using Fourier transform infrared spectroscopy (FTIR). The simple droplet evaporation method was found to be efficient, robust, fast and cost-preserving approach for first...
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Structural Insights into New Bi(III) Coordination Polymers with Pyridine-2,3-Dicarboxylic Acid: Photoluminescence Properties and Anti-Helicobacter pylori Activity
PublicationTwo novel coordination polymers, [Bi2(2,3pydc)2(2,3pydcH)2(H2O)]n(1) and {(Et3NH)2[Bi(2,3pydc)(2,3pydcH)Cl2]}n(2) were prepared using as a prolinker pyridine-2,3-dicarboxylic acid(2,3pydcH2). The obtained complexes were fully characterized by elemental analysis, TG/DTG, FT-IR,solid-state photoluminescence, DFT calculations and single-crystal X-ray diffraction. The obtainedcomplexes crystallized in the triclinicP-1 space group (1)...
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A Data Driven Model for Predicting RNA-Protein Interactions based on Gradient Boosting Machine
PublicationRNA protein interactions (RPI) play a pivotal role in the regulation of various biological processes. Experimental validation of RPI has been time-consuming, paving the way for computational prediction methods. The major limiting factor of these methods has been the accuracy and confidence of the predictions, and our in-house experiments show that they fail to accurately predict RPI involving short RNA sequences such as TERRA RNA....
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Dynamics of Antimicrobial Peptide Encapsulation in Carbon Nanotubes: The Role of Hydroxylation
PublicationIntroduction: Carbon nanotubes (CNTs) have been widely employed as biomolecule carriers, but there is a need for further functionalization to broaden their therapeutic application in aqueous environments. A few reports have unraveled biomolecule–CNT interactions as a measure of response of the nanocarrier to drug-encapsulation dynamics. Methods: Herein, the dynamics of encapsulation of the antimicrobial peptide HA-FD-13 (accession...
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Magnetic field effects in dye-sensitized and organic solar cells
PublicationThe charge recombination and exciton dissociation are generally recognized as the basic electronic processes limiting the efficiency of photovoltaic devices. The aim of this thesis is to understand the electronic processes limiting the operation of efficient solar cells with particular emphasis on the role of electronic states endowed with magnetic dipole moment. The research work is divided into two parts. The first part deals...
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Reactive imines: Addition of 2-aminopyrimidine to the imine bond and isolation of the aminal from the equilibrium mixture aminal/imine
PublicationThe reaction between o-vanillin and 2-aminopyrimidine leads to the formation of a single crystalline product: aminal, 1, which results from the reaction of the initially formed imine with 2-aminopyrimidine. The reaction was followed by the NMR spectroscopy. VT NMR studies prove that in solution two major species are observed: aminal and imine and their ratio depends on the time or/and temperature with the imine content increasing...
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Specialist Pavilion Hospitals Of West Prussia In The 19th Century – Evolution Of The Idea
PublicationThe size and shape of the largest pavilion hospitals established in West Prussia in the 19th century changed along with the advancing technical and medical knowledge, the progress of ideas regarding modern society, architectural patterns, and the needs for which the hospitals were built. Apart from the medical treatment section, there were administrative, social and technical facilities, all constituting parts of the complex. The...