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Wyniki wyszukiwania dla: HALOGEN BONDS
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Three-dimensional geographically weighted inverse regression (3GWR) model for satellite derived bathymetry using Sentinel-2 observations
PublikacjaCurrent trends of development of satellite derived bathymetry (SDB) models rely on applying calibration techniques including analytical approaches, neuro-fuzzy systems, regression optimization and others. In most of the cases, the SDB models are calibrated and verified for test sites, that provide favourable conditions for the remote derivation of bathymetry such as high water clarity, homogenous bottom type, low amount of sediment...
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Rapid Re-Design and Bandwidth/Size Trade-Offs for Compact Wideband Circular Polarization Antennas Using Inverse Surrogates and Fast EM-Based Parameter Tuning
PublikacjaDesign of compact wideband circularly polarized (CP) antennas is challenging due to the necessity of simultaneous handling of several characteristics (reflection, axial ratio, gain) while maintaining a small size of the structure. Antenna re-design for various operating bands is clearly more difficult yet practically important because intentional reduction of the bandwidth (e.g., by moving the lower edge of the operating band up...
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Polyurethane Composite Scaffolds Modified with the Mixture of Gelatin and Hydroxyapatite Characterized by Improved Calcium Deposition
PublikacjaThe skeleton is a crucial element of the motion system in the human body, whose main function is to support and protect the soft tissues. Furthermore, the elements of the skeleton act as a storage place for minerals and participate in the production of red blood cells. The bone tissue includes the craniomaxillofacial bones, ribs, and spine. There are abundant reports in the literature indicating that the amount of treatments related...
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Effect of composition on the thermal properties and structure of M-Al-Si-O-N glasses, M = Na, Mg, Ca
PublikacjaThe primary objective of this study is to explore the relationship between the composition, structure, and thermal characteristics of M-Al-Si-O-N glasses, with M representing sodium (Na), magnesium (Mg), or calcium (Ca). The glasses were prepared by melting in a quartz crucible at 1650 °C and AlN precursor (powder) was utilized as a nitrogen source. The measured thermal properties studied were glass transition temperature (Tg),...
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Wideband High-Gain Low-Profile Series-Fed Antenna Integrated with Optimized Metamaterials for 5G millimeter Wave Applications
PublikacjaThis paper presents a series-fed four-dipole antenna with a broad bandwidth, high gain, and compact size for 5G millimeter wave (mm-wave) applications. The single dipole antenna provides a maximum gain of 6.2 dBi within its operational bandwidth, which ranges from 25.2 to 32.8 GHz. The proposed approach to enhance both gain and bandwidth involves a series-fed antenna design. It comprises four dipoles with varying lengths, and a...
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Data-Driven Surrogate-Assisted Optimization of Metamaterial-Based Filtenna Using Deep Learning
PublikacjaIn this work, a computationally efficient method based on data driven surrogate models is pro-posed for the design optimization procedure of a Frequency Selective Surface (FSS)-based filtering antenna (Filtenna). A Filtenna acts as a as module that simultaneously pre-filters unwanted sig-nals, and enhances the desired signals at the operating frequency. However, due to a typically large number of design variables of FSS unit elements,...
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Correlations of structural, thermal and electrical properties of sodium doped complex borophosphosilicate glass
PublikacjaBorophosphosilicate glasses with varying sodium ion concentrations were investigated for their, structural, thermal, and electrical properties. All the obtained glasses were transparent except the glass with the highest sodium content, which exhibited translucency due to inhomogeneities. Increasing sodium content led to reduced boron and silicon content while maintaining a constant B/Si ratio, indicating progressive depolymerization...
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Unexpected Z/E isomerism of N-methyl-O-phosphothioyl benzohydroxamic acids, their oxyphilic reactivity and inertness to amines
PublikacjaThiophosphinoylation of N-methyl p-substituted benzohydroxamic acids using disulfanes (method A) or diphenylphosphinothioyl chloride (method B) provides only one conformer of the respective O-phosphothioyl derivative (Xray and NMR analysis). Undergoing the P-transamidoxylation reaction is an evidence of the reversibility of thiophosphinoylation. Only those products containing strong EWG substituents in the aroyl residue or bulky...
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Impact of the Alkyl Side Chains of Cations and Anions on the Activity and Renaturation of Lysozyme: A Systematic Study Performed Using Six Amino‐Acid‐Based Ionic Liquids
PublikacjaThe impact of the structure of ionic liquid on the activity and renaturation of lysozyme from the hen egg white (HEWL) was investigated. A set of six ionic liquids based on morpholinium cation and N-acylated amino acids as anions were exploited. The matrix used was based on two homologous series: one with N-acetyl-L-valinate [Val] as a common anion and morpholinium cation with a different number of...
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Reactivity of Phosphanylphosphinidene Complex of Tungsten(VI) toward Phosphines: A New Method of Synthesis of catena-Polyphosphorus Ligands
PublikacjaThe reactivity of an anionic phosphanylphosphinidene complex of tungsten(VI), [(2,6-i-Pr2C6H3N)2(Cl)- W(η2-t-Bu2P=P)]Li·3DME toward PMe3, halogenophosphines, and iodine was investigated. Reaction of the starting complex with Me3P led to formation of a new neutral phosphanylphosphinidene complex, [( 2,6-i-Pr2C6H3N)2(Me3P)W(η2-t-Bu2P=P)]. Reactions with halogenophosphines yielded new catena-phosphorus complexes. From reaction with...
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Assessment and design of greener deep eutectic solvents – A multicriteria decision analysis
PublikacjaDeep eutectic solvents (DES) are often considered as green solvents because of their properties, such as negligible vapor pressure, biodegradability, low toxicity or natural origin of their components. Due to the fact that DES are cheaper than ionic liquids, they have gained many applications in a short period of time. However, claims about their greenness sometimes seem to be exaggerated. Especially, bearing in mind lots of data...
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Compliance tests of the polymer layers used as hydrodynamic bearing coatings
PublikacjaOperational experience and scientific investigations results showed that polymer lined hydrodynamic bearings can withstand more severe operating conditions compared than white metal bearings. PTFE and PEEK-based coatings are the most frequently used as Babbitt alternatives. Both polymers differ significantly from the each other in material properties. According to catalogue data compression modulus of PTFE, it is about an order...
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Functionalization of Parylene During Its Chemical Vapor Deposition
PublikacjaTwo possible mechanisms for the reaction of four halogenated (metha)acrylate-based molecules with Parylene [poly (paraxylylene)] during its chemical vapor deposition were proposed. The chemical reactivity of acrylate double bond with the paraxylylene biradical was calculated for all four (metha)acrylate-based molecules. These calculations allowed the evaluation of the energetically favorable mechanism and indeed a direct correlation...
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Selective Cytostatic and Cytotoxic Anticancer Effects of Bisfunctional Agents: A Strategy for the Design of DNA Binding Agents
PublikacjaVarious agents have been synthesized and proved useful for the National Cancer Institute's anticancer testing as potential new drugs, but most agents suffer side effects from their limited selectivity against cancer cells over healthy ones. Therefore, this paper attempts to describe drugs in terms of the level of tumor cell selectivity which they possess to define the features of mols. that are essential for useful cytotoxicity....
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Adhesive Monitoring with Instrumented Wedge Test
PublikacjaThe wedge test (sometimes called the Boeing wedge test) is amongst the most readily exploitable techniques for assessment of the rate-dependent fracture energy of adhesive materials when used to bond relatively rigid substrates. With its siblings: the double cantilever beam (DCB), and the tapered double cantilever beam (TDCB), a force is applied, essentially in cleavage, to provoke substrate separation perpendicularly to the bondline...
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Anion–water interactions of weakly hydrated anions: molecular dynamics simulations of aqueous NaBF4 and NaPF6
PublikacjaIn aqueous ionic solutions, both the structure and the dynamics of water are altered dramatically with respect to the pure solvent. The emergence of novel experimental techniques makes these changes accessible to detailed investigations. At the same time, computational studies deliver unique possibilities for the interpretation of the experimental data at the molecular level. Here, using molecular dynamics simulations, we demonstrate...
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Load-carrying capacity of axially loaded concrete-filled steel tubular columns made of thin tubes
PublikacjaAn experimental investigation was conducted on 30 CFST columns. An influence of the following factors on load-carrying capacity of the investigated columns was analyzed: the column slenderness (l1 = 42, l2 = 27 and l3 = 15), the tube thickness (the reinforcement ratio was equal to 4% or 6%), the way of applying the load to CFST columns (through the concrete core or through the entire cross-section), the bond strength between a...
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Contemporary Spaces of Memory - Towards Transdisciplinarity in Architecture
PublikacjaThe paper explores new phenomena in the contemporary practice of commemoration implemented through architecture. Architectural objects related to memory can be a place where new trends and phenomena appear earlier than in other architectural objects. The text is an attempt to prove that these new spaces of memory are a kind of laboratory where new ideas taking place in architecture and related disciplines are being tested. Research...
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Modifications at the C(5) position of pyrimidine nucleosides
PublikacjaThis review summarizes the state of knowledge on the chemical methods of C(5)-modifications of uridine and cytidine derivatives and may serve as a useful tool for synthetic chemists to choose an appropriate reaction protocol. The synthesis of 5-substituted uracil derivatives is gaining an increasing interest because of their possible applications in medicine and pharmacy. Modifications at the C(5) position of pyrimidine nucleosides...
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Impact of Feature Selection Methods on the Predictive Performance of Software Defect Prediction Models: An Extensive Empirical Study
Publikacja -
Application of the neural networks for developing new parametrization of the Tersoff potential for carbon
PublikacjaPenta-graphene (PG) is a 2D carbon allotrope composed of a layer of pentagons having sp2- and sp3-bonded carbon atoms. A study carried out in 2018 has shown that the parameterization of the Tersoff potential proposed in 2005 by Ehrhart and Able (T05 potential) performs better than other potentials available for carbon, being able to reproduce structural and mechanical properties of the PG. In this work, we tried to improve the...
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Theory and application of Near-infrared spectroscopy
PublikacjaIn recent years one can observe a significant increase in the requirements on quality control in all industrial sectors. The growing number of involved analyses makes the traditional, time consuming, requiring use of large quantities of reagents, thus expansive methods inconvenient especially for industrial applications. Fortunately, there is a very fast, cheap and not invasive analytical method that is increasingly used in qualitative...
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DNA restriction analysis as a supportive tool in mechanistic studies carried out by 32P-postlabelling
PublikacjaNumerous antitumor and carcinogenic compounds are able to modify DNA by forming covalent bonds with its constituents, while some anticarcinogenic compounds are known to prevent such a modification. All these processes are of vital biological import_ance, though deeper inside into factors influencing formation of DNA adducts is difficult due to the low level of their occurrence. 32P-Postlabelling approach ensures very sensitive...
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Public Spaces - Coexistence and Participation
PublikacjaThe paper is an attempt to answer two questions: (1) how to develop positive social relations and citizenship among residents of cities in Poland and (2) howsuitable shaping of public space affects the activation and integration of local residents.The specificity of the post-war process of urbanization in Poland - a country traditionally agricultural - was its political dimension (forced 'nationalisation' of agriculture and industrialization...
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Chemical and biological stability of polyene macrolides
PublikacjaThe polyene macrolide antibiotics have been used in an-tifungal therapy since first o f them were discovered in 1950's. Up to now, four polyene macrolides are being used in medical practice, namely amphotericin B, nystatin, candi-cidin and pimaricin.The antifungal activity and mode of ac-tion of polyene macrolides is determined by their structure, chemical and physical properties.The main fragment of polyene...
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PREPARATION AND CHARACTERIZATION OF CoFe2O4/TiO2-PANI HYBRID NANOCOMPOSITE WITH MAGNETIC AND PHOYOCATALYTIC ACTIVITY
PublikacjaHybrid nanocomposites consisting of inorganic component and organic conducting polymer are promising materials, which can be applied in heterogeneous photocatalysis. Titanium(IV) oxide is widely used photocatalysts due to its non-toxicity, low cost and chemical stability. The main disadvantage of TiO2 is low photocatalytic activity under visible light. Conducting polymers, also known as conjugated polymers are polymer materials...
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Sampling-based novel heterogeneous multi-layer stacking ensemble method for telecom customer churn prediction
PublikacjaIn recent times, customer churn has become one of the most significant issues in business-oriented sectors with telecommunication being no exception. Maintaining current customers is particularly valuable due to the high degree of rivalry among telecommunication companies and the costs of acquiring new ones. The early prediction of churned customers may help telecommunication companies to identify the causes of churn and design...
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Certified domination
PublikacjaImagine that we are given a set D of officials and a set W of civils. For each civil x ∈ W, there must be an official v ∈ D that can serve x, and whenever any such v is serving x, there must also be another civil w ∈ W that observes v, that is, w may act as a kind of witness, to avoid any abuse from v. What is the minimum number of officials to guarantee such a service, assuming a given social network? In this paper, we introduce...
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Novel application of terminal restriction fragments length polymorphism method (t-RFLP) for identification of six clinically important Candida sp.
PublikacjaTerminal restriction fragments length polymorphism method (t-RFLP) is a modified classical RFLP method. The main difference is based on carrying out PCR using a fluorescently labeled primer or primers. The result of such modification is that after digestion of amplicons only terminal fragments of PCR product (containing fluorescent dye) are visualized. T-RFLP method has found application in environmental microbiology and epidemiology....
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Novel primosomal protein B from Clostridium pasteurianum
PublikacjaPriB is a primosomal protein that catalyzes DNA replication in Procaryota. The replication pathway starts with PriA protein - the initiator protein that binds to a DNA replication fork, unwinds double-stranded DNA and role of PriB is to stabilize PriA on the DNA. However there are many biochemical differences in replication mechanism in bacteria and only some of them use PriB proteins. A few of PriB proteins were published and...
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Collision-Free Network Exploration
PublikacjaA set of mobile agents is placed at different nodes of a n-node network. The agents synchronously move along the network edges in a collision-free way, i.e., in no round may two agents occupy the same node. In each round, an agent may choose to stay at its currently occupied node or to move to one of its neighbors. An agent has no knowledge of the number and initial positions of other agents. We are looking for the shortest possible...
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Drill holes decrease cancellous bone strength: A comparative study of 33 paired osteoporotic human and 9 paired artificial bone samples
PublikacjaThis study was designed to compare compressive strength of cancellous bone retrieved from the femoral head in a specimen with and without guide wire hole, with comparison to synthetic bone samples. Femoral heads retrieved from 33 patients who sustained femoral neck fractures and underwent hip arthroplasty were cut into cuboids leaving two matching samples from the same femoral head. Similar samples were prepared from synthetic femurs....
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Secure Italian domination in graphs
PublikacjaAn Italian dominating function (IDF) on a graph G is a function f:V(G)→{0,1,2} such that for every vertex v with f(v)=0, the total weight of f assigned to the neighbours of v is at least two, i.e., ∑u∈NG(v)f(u)≥2. For any function f:V(G)→{0,1,2} and any pair of adjacent vertices with f(v)=0 and u with f(u)>0, the function fu→v is defined by fu→v(v)=1, fu→v(u)=f(u)−1 and fu→v(x)=f(x) whenever x∈V(G)∖{u,v}. A secure Italian dominating...
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Optimizing Ni–Cr patterned boron-doped diamond band electrodes: Doping effects on electrochemical efficiency and posaconazole sensing performance
PublikacjaThere is growing interest in developing diamond electrodes with defined geometries such as, for example, micrometer-sized electrode arrays to acquire signals for electroanalysis. For electroanalytical sensing applications, it is essential to achieve precise conductive patterns on the insulating surface. This work provides a novel approach to boron-doped diamond patterning using nichrome masking for selective seeding on an oxidized...
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Rigorous numerics for critical orbits in the quadratic family
PublikacjaWe develop algorithms and techniques to compute rigorous bounds for finite pieces of orbits of the critical points, for intervals of parameter values, in the quadratic family of one-dimensional maps fa(x)=a−x2. We illustrate the effectiveness of our approach by constructing a dynamically defined partition P of the parameter interval Ω=[1.4,2] into almost 4 million subintervals, for each of which we compute to high precision the...
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Mapping the Transglycosylation Relevant Sites of Cold-Adapted β-D-Galactosidase from Arthrobacter sp. 32cB
PublikacjaB-Galactosidase from Arthrobacter sp. 32cB (ArthbetaDG) is a cold-adapted enzyme able to catalyze hydrolysis of beta-D-galactosides and transglycosylation reaction, where galactosyl moiety is being transferred onto an acceptor larger than a water molecule. Mutants of ArthbetaDG D207A and E517Q were designed to determine the significance of specific residues and to enable formation of complexes with lactulose and sucrose and to...
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Dynamic coloring of graphs
PublikacjaDynamics is an inherent feature of many real life systems so it is natural to define and investigate the properties of models that reflect their dynamic nature. Dynamic graph colorings can be naturally applied in system modeling, e.g. for scheduling threads of parallel programs, time sharing in wireless networks, session scheduling in high-speed LAN's, channel assignment in WDM optical networks as well as traffic scheduling. In...
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GPS-derived height changes in diurnal and sub-diurnal timescales
PublikacjaThis paper describes the research concerning precise short-time GPS solutions conducted in the Centre of Applied Geomatics, Military University of Technology, Warsaw, Poland. The data from ASG-EUPOS (Polish Active Geodetic Network) was processed using Bernese 5.0 software and EPN (EUREF Permanent Network) standards and models. In this study, the adapted 3-hour observation window is shifted every hour for obtaining hourly geocentric...
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Unravelling the role of electron–hole pair spin in exciton dissociation in squaraine-based organic solar cells by magneto-photocurrent measurements
PublikacjaA high absorption coefficient and narrow absorption bands in squaraine (SQ) dyes have resulted in rapidly growing interest in them as a donor material in photovoltaic devices. The exciton dissociation process in organic systems proceeds via a multistep mechanism where the electron–hole pairs (charge transfer states) involved in the current generation process determine the recombination losses and subsequently limit the overall...
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Open extensive IoT research and measurement infrastructure for remote collection and automatic analysis of environmental data.
PublikacjaInternet of Things devices that send small amounts of data do not need high bit rates as it is the range that is more crucial for them. The use of popular, unlicensed 2.4 GHz and 5 GHz bands is fairly legally enforced (transmission power above power limits cannot be increased). In addition, waves of this length are very diffiult to propagate under field conditions (e.g. in urban areas). The market response to these needs are the...
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The influence of a change in the meniscus cross-sectional shape on the medio-lateral translation of the knee joint and meniscal extrusion
PublikacjaObjective The purpose of this study was to evaluate the influence of a change in the meniscus cross sectional shape on its position and on the biomechanics of a knee joint. Methods One main finite element model of a left knee joint was created on the basis of MRI images. The model consisted of bones, articular cartilages, menisci and ligaments. Eight variants of this model with an increased or decreased meniscus height were then...
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Novel primosomal protein B from Clostridium pastuerianum
PublikacjaPriB is a primosomal protein that catalyzes DNA replication in Procaryota. The replication pathway starts with PriA protein - the initiator protein that binds to a DNA replication fork, unwinds double-stranded DNA and role of PriB is to stabilize PriA on the DNA. However there are many biochemical differences in replication mechanism in bacteria and only some of them use PriB proteins. A few of PriB proteins were published and...
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Rendezvous of Distance-Aware Mobile Agents in Unknown Graphs
PublikacjaWe study the problem of rendezvous of two mobile agents starting at distinct locations in an unknown graph. The agents have distinct labels and walk in synchronous steps. However the graph is unlabelled and the agents have no means of marking the nodes of the graph and cannot communicate with or see each other until they meet at a node. When the graph is very large we want the time to rendezvous to be independent of the graph size...
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Polygons vs. clumps of discs: A numerical study of the influence of grain shape on the mechanical behaviour of granular materials
PublikacjaWe performed a series of numerical vertical compression tests on assemblies 01 20 granular material using a Discrete Element code and studied the results with regard to the grain shape. The samples consist of 5000 grains made from either 3 overlapping discs (clumps - grains with concavities) or six-edged polygons (convex grains). These two grain type have similar external envelope, which is a fund ion of a geometrical parameter...
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Feasibility study of a Raman spectroscopic route to drug detection
PublikacjaWe present an surface-enhanced Raman spectroscopy (SERS) approach for detection of drugs of abuse in whole human blood. We utilize a near infrared laser with 830 nm excitation wavelength in order to reduce the influence of fluorescence on the spectra of blood. However, regular plasmon resonance peak of plasmonic nanoparticles, such as silver or gold fall in a much lower wavelength regime about 400 nm. Therefore, we have shifted...
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Novel single-stranded DNA-binding protein from psyvhrophilic bacterium Psychrobacter arcticus
PublikacjaTo study the biochemical properties of SSB from Psychrobacter arcticus (ParSSB), we have cloned the ssb genes obtained by PCR and have developed Escherichia coli overexpression systems. The gene consists of an open reading frame of 642 nucleotides encoding SSB protein of 213 amino acids with a calculated molecular mass of 22.8 kDa. The amino-acid sequence of ParSSB exhibits 49% identity and 57% similarity to Escherichia coli SSB....
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Amperometric sensing of chemical oxygen demand at glassy carbon and silicon electrodes modified with boron-doped diamond
Publikacja.A boron-doped diamond (BDD) sensor is proposed for effective detection of chemical oxygen demand (COD) by means of amperometric technique. Boron-doped diamond thin films, acting as active sensors, were deposited on both silicon wafer and glassy carbon (GC) substrates by microwave plasma assisted chemical vapour deposition. SEM micrographs showed that BDD–Si displays triangle-faceted crystallites ca. 0.5–3 μm in size, while BDD–GC...
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Unraveling the Interplay between DNA and Proteins: A Computational Exploration of Sequence and Structure-Specific Recognition Mechanisms
PublikacjaMy PhD dissertation focused on DNA-protein interactions and the recognition of specific DNA sequences and structures. I discovered that acidic amino acid residues (Asp/Glu) play a crucial role by exhibiting a preference for cytosine. Their contribution to binding affinity depends on nearby cytosines, balancing electrostatic repulsion with specific interactions. Acidic residues act as negative selectors, discouraging non-cytosine...
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Experimental certification of more than one bit of quantum randomness in the two inputs and two outputs scenario
PublikacjaOne of the striking properties of quantum mechanics is the occurrence of the Bell-type non-locality. They are a fundamental feature of the theory that allows two parties that share an entangled quantum system to observe correlations stronger than possible in classical physics. In addition to their theoretical significance, non-local correlations have practical applications, such as device-independent randomness generation, providing...
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Expedited Optimization of Passive Microwave Devices Using Gradient Search and Principal Directions
PublikacjaOver the recent years, utilization of numerical optimization techniques has become ubiquitous in the design of high-frequency systems, including microwave passive components. The primary reason is that the circuits become increasingly complex to meet ever growing performance demands concerning their electrical performance, additional functionalities, as well as miniaturization. Nonetheless, as reliable evaluation of microwave device...