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Search results for: casp, covid, ema, model accuracy, protein structure prediction, sars-cov-2
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Syntheses and structures of the first terminal phosphanylphosphido complex of hafnium [cp2hf(cl){η1-(me3si)p-p(net2)2}] and the firstzirconocene-phosphanylphosphinidene dimer [cp2zr{μ2-p-p(net2)2}2zrcp2]
PublicationReactions of (Et2N)2P-P(SiMe3)Li with [Cp2MCl2] (M= Zr, Hf) in toluene or pentane yield the related terminal phosphanylphosphido complexes [Cp2M(Cl){η1-(Me3Si)P-P(NEt2)2}]. The solid statestructure of [Cp2Hf(Cl){η1-(Me3Si)P-P(NEt2)2}] was established by single crystal X-ray diffraction. The reaction of (Et2N)2P-P(SiMe3)Li with [Cp2ZrCl2] in THF or DME solutions leads to the formationof deep red crystals of the first neutral diamagnetic...
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Posttraumatic Orbital Emphysema: A Numerical Model
PublicationOrbital emphysema is a common symptom accompanying orbital fracture. The pathomechanism is still not recognized and the usually assumed cause, elevated pressure in the upper airways connected with sneezing or coughing, does not always contribute to the occurrence of this type of fracture. Observations based on the finite model (simulating blowout type fracture) of the deformations of the inferior orbital wall after a strike in...
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Highly selective impedimetric determination of Haemophilus influenzae protein D using maze-like boron-doped carbon nanowall electrodes
PublicationThis study reports a novel impedimetric immunosensor for protein D detection in purified and bacterial (Haemophilus influenzae, Hi) samples. The detection was based on antigen recognition by anti-protein D antibodies (apD) immobilised at the maze-like boron-doped carbon nanowall electrodes (B:CNW). The B:CNW electrodes were synthesised, and their surface was characterised by scanning electron microscopy (SEM) and X-ray photoelectron...
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Cobalt(II) tri-tert-butoxysialanethiolates.Synthesis, properties, crystal and molecular structures of [Co{SSi(OtBu)3}2(L)] and[Co{SSi(OtBu)3}2(L)2] type complexes with monodentate nitrogen ligands.
PublicationThe title heteroleptic neutral cobalt(II) tri-tert-butoxysilanethiolate complexes with monodentate nitrogen bases (L) as additional ligands have been prepared by the reactions of [Co{μ-SSi(OtBu)3}{SSi(OtBu)3}(NH3)]2 (1) with respective bases. For pyridine both types have been prepared...
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Optimization of Nuclear Power Share in the Structure of Electricity Production in Poland in Time Perspective by 2060
PublicationThe author of this paper presented the results of a system analysis using MARKAL model, aiming at the optimization of nuclear power share in power generation structure in Poland in time perspective by 2060. Optimization criterion is the minimization of the objective function, i.e. the total cost of energy system, taking into account constraints related to CO2, SOx and NOx emissions and obligatory shares of electricity from renewable...
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Intercalation complex of imidazoacridinone C-1311, a potential anticancer drug, with DNA helix d(CGATCG)2: stereostructural studies by 2D NMR spectroscopy.
PublicationImidazoacridinone C-1311 (Symadex®) is a powerful antitumor agent, which successfully made its way through the Phase I clinical trials and has been recommended for Phase II few a years ago. It has been shown experimentally that during the initial stage of its action C-1311 forms a relatively stable intercalation complex with DNA, yet it has shown no base-sequence specificity while binding to DNA. In this paper, the d(CGATCG)2:C-1311...
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The electrochemical response to BDD electrode functionalization with CD147 receptor
Open Research DataThis dataset contains the results of the electrochemical impedance spectroscopy (EIS) measurements of the boron-doped diamond (BDD) electrode functionalization with CD147 receptor. The functionalized electrode was then used for the electrochemical detection of the SARS-CoV-2 virus S1 protein.
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The electrochemical response to BDD electrode functionalization with ACE2 receptor
Open Research DataThis dataset contains the results of the electrochemical impedance spectroscopy (EIS) measurements of the boron-doped diamond (BDD) electrode functionalization with ACE2 receptor. The functionalized electrode was then used for the electrochemical detection of the SARS-CoV-2 virus S1 protein.
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The electrochemical response to BDD electrode functionalization with IgG2B receptor
Open Research DataThis dataset contains the results of the electrochemical impedance spectroscopy (EIS) measurements of the boron-doped diamond (BDD) electrode functionalization with IgG2B receptor. The functionalized electrode was then used for the electrochemical detection of the SARS-CoV-2 virus S1 protein.
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Effects of the Covid-19 travel restrictions on metropolises mobility: empirical evidence from the Tricity metropolis (Poland)
PublicationThis paper aims to assess changes in mobility and modal shift caused by COVID-19 travel restrictions among the residents of Gdańsk Bay Metropolis (Poland). Measurement’s moments were assumed in periods differing in the level of restric- tions. The computer-assisted telephone interview (CATI) was carried out in November and December 2020. The results did not confirm the expected modal shift. However, significant changes in the number...
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Metal ion directed template synthesis using 2-acetyl-1,3-indandione and ethylenediamine: steric and electronic restrictions
PublicationA template synthesis using 2-acetyl-1,3-indandione and ethylenediamine results in formation of octahedral Ni complex, whose crystal structure has been resolved using single crystal X-ray diffraction. The structure indicates that only exocyclic enolic oxygen atom of the triketone takes part in the condensation with ethylenediamine.
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Structures, physicochemical and cytoprotective properties of new oxidovanadium(IV) complexes -[VO(mIDA)(dmbipy)]·1.5H 2 O and [VO(IDA)(dmbipy)]·2H 2 O
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Evaluation of Medical Staff Satisfaction for Workplace Architecture in Temporary COVID-19 Hospital: A Case Study in Gdańsk, Poland
PublicationThis article analyses the architecture that was used in the temporary AmberExpo hospital in Gdańsk, Poland which was installed during the COVID-19 pandemic. The construction of this type of facility is often based on experimental approaches, aimed at caring for patients suffering from an infectious disease in emergency conditions. In order to assess the level of employee satisfaction with the architectural and technical elements...
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The spectral finite element model for analysis of flexural-shear coupled wave propagation. Part 2: Delaminated multilayer composite beam
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The spectral finite element model for analysis of flexural-shear coupled wave propagation. Part 2, Delaminated multilayer composite beam
PublicationW pracy przedstawiono, wykorzystując metodę elementów spektralnych, analizę wpływu delaminacji na propagację fali giętno-ścinającej w belce kompozytowej.
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Wyznaczanie współczynnika przejmowania ciepła podczas wrzenia w przepływie dwutlenku węgla (Prediction of flow boling heat transfer coefficient for carbon dioxide in minichannels)
PublicationW pracy przedstawiono wyniki obliczeń uzyskane za pomocą własnego modelu półemirycznego dla wybranych danych eksperymentalnych dla wrzenia w przepływie dwutlenku węgla. Metoda obliczeniowa została zweryfikowana z danymi eksperymentalnymi Docoulombiera i innych (2011) oraz Mastrullo i innych (2009). Badania eksperymentalne dotyczą pełnego zakresu zmienności stopnia suchości oraz zakresu prędkości masowej G=200-1200 kg/m2s. rozwijany...
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Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives
PublicationOther than efficacy of interaction with the molecular target, metabolic stability is the primary factor responsible for the failure or success of a compound in the drug development pipeline. The ideal drug candidate should be stable enough to reach its therapeutic site of action. Despite many recent excellent achievements in the field of computational methods supporting drug metabolism studies, a well-recognized procedure to model...
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Bio and slide biobearings, their lubrication by non-newtonian fluids and application in non-conventional systems. Vol. 2, The theory of human joint unsteady lubrication.
PublicationW monografii przedstawiono zasady niestacjonarnego smarowania stawów człowieka o odkształcalnych chrząstkach i powierzchniach kostnych w polach indukcji magnetycznej. W opisie stochastycznym uwzględnione zostały nienewtonowskie, lepkosprężyste właściwości cieczy synowialnych jako czynnika smarującego. Monografia prezentuje rozkłady wartości ciśnienia i nośności stawów człowieka w warunkach niestacjonarnego smarowania dla drgań...
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Ultrasensitive electrochemical determination of the cancer biomarker protein sPD-L1 based on a BMS-8-modified gold electrode
PublicationThis work describes the modification of a gold electrode with the BMS-8 compound that interacts with the Programmed Death-Ligand 1 (PD-L1), an immune checkpoint protein. The results show that we can confirm the presence of the sPD-L1 in the concentration range of 10−18 to 10−8 M using electrochemical impedance spectroscopy (EIS) with a limit of detection (LOD) of 1.87 × 10−14 M for PD-L1 (S/N = 3.3) and at a concentration of 10−14...
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Lattice filter based autoregressive spectrum estimation with joint model order and estimation bandwidth adaptation
PublicationThe problem of parametric, autoregressive model based estimation of a time-varying spectral density function of a nonstationary process is considered. It is shown that estimation results can be considerably improved if identification of the autoregressive model is carried out using the two-sided doubly exponentially weighted lattice algorithm which combines results yielded by two one-sided lattice algorithms running forward in...
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Ekspertyza(2)
PublicationEkspertyza dotycząca odrzucenia odwołania złożonego przez firmę MLU Sp. z o.o. z siedzibą w Katowicach, ul. Połomińska 16 40-585 Katowice w Krajowej Izbie Odwoławczej przy Prezesie Urzędu Zamówień Publicznych, ul. Postępu 17a 02-676 Warszawa, wobec treści ogłoszenia o zamówieniu opublikowanym dnia 8 maja 2013r. w Dzienniku Urzędowym Unii Europejskiej pod numerem 151218-2013, dotyczącym postępowania o udzielenie zamówienia publicznego...
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Unraveling the Interplay between DNA and Proteins: A Computational Exploration of Sequence and Structure-Specific Recognition Mechanisms
PublicationMy 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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An Alternative Proof of a Lower Bound on the 2-Domination Number of a Tree
PublicationA 2-dominating set of a graph G is a set D of vertices of G such that every vertex not in D has a at least two neighbors in D. The 2-domination number of a graph G, denoted by gamma_2(G), is the minimum cardinality of a 2-dominating set of G. Fink and Jacobson [n-domination in graphs, Graph theory with applications to algorithms and computer science, Wiley, New York, 1985, 283-300] established the following lower bound on the 2-domination...
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Prediction of flow boiling heat transfer coefficient for carbon dioxide in minichannels and conventional channels
PublicationIn the paper presented are the results of calculations using authors own model to predict heat transfer coefficient during flow boiling of carbon dioxide. The experimental data from various resea rches were collected. Calculations were conducted for a full range of quality variation and a wide range of mass velocity. The aim of the study was to test the sensitivity of the in-house model. The results show the importance of taking into...
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A DFT/TD DFT study of the structure and spectroscopic properties of 5-methyl-2-(8-quinolinyl)benzoxazole and its complexes with Zn(II) ion
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Heterogeneity of quaternary structure of glucosamine-6-phosphate deaminase from Giardia lamblia
PublicationThe oligoHis-tagged versions of glucosamine-6- phosphate deaminase from Giardia lamblia (GlmNagB-HisN, GlmNagB-HisC) were constructed and purified to hear homogeneity, and their kinetic and structural properties were compared to those of the wild-type enzyme (GlmNagB). Introduction of the oligoHis tag at the GlmNagB C-terminus resulted in almost complete loss of the catalytic activity, while the catalytic properties of GlmNagB-HisN...
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Wieloźródłowy model pola elektrycznego okrętu = Multisource model of ship electric field
PublicationW pracy przedstawiono wieloźródłowy model pola elektrycznego okrętu. Wieloźródłowy model stanowi układ źródeł prądowych o określonych położeniach.
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Apple pectin complexes with whey protein isolate
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Some applications of thermophiles and their enzymes for protein processing
PublicationPrzedstawiono charakterystykę, właściwości oraz możliwości zastosowań enzymów proteolitycznych wytwarzanych przez termofile. Zaletą tych biokatalizatorów jest między innymi duża odporność na działanie rozpuszczalników organicznych, detergentów i innych czynników denaturujących białka oraz mała wrażliwość na zmiany pH. Dokonano też przeglądu czynników powodujących dużą stabilność proteaz z termofili.
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Pea Protein for Hempseed Oil Nanoemulsion Stabilization
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Construction and development of IT Competence Centers - organizational structure
PublicationThe author presents the situation of the current units working between academic environment and business. the paper presents the possibility of using a dynamic structure to develop UCC.
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Silica In Silico: A Molecular Dynamics Characterization of the Early Stages of Protein Embedding for Atom Probe Tomography
PublicationA novel procedure for the application of atom probe tomography (APT) to the structural analysis of biological systems, has been recently proposed, whereby the specimen is embedded by a silica matrix and ablated by a pulsed laser source. Such a technique, requires that the silica primer be properly inert and bio-compatible, keeping the native structural features of the system at hand, while condensing into an amorphous, glass-like...
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Inverse Analysis as a Key Element of Safety Assessment under the Snow Load For The Large Suspension Roofs Structure
PublicationThe paper presents a concept and realization of monitoring system for the Silesian Stadium in Chorzow. The idea of the system lies in fusion of structure monitoring with a calibrated numerical FEM model [1]. The inverse problem is solved. On the base of measured selected displacements, the numerical FEM model of the structure combined with iterative method, develops the current snow load distribution. Knowing the load, we can calculate...
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THE CONCEPT OF MODELING OF SNOW IMPACT ON THE STRUCTURE OF THE SUSPENDED TAURON ARENA ROOF IN CRACOW
PublicationThe article presents studies and numerical simulations on modeling snow influence on TAURON ARENA suspended roof structure in Cracow. The scope of work includes experimental tests, functions solutions taking into account various cases of snow impact according to PN and EC, as well as numerical simulations for the sport and entertainment arena in the Czyzyny district. The FEM roof structure model developed in the SOFISITK software...
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Seasonal Patterns and Trends in Dermatoses in Poland
PublicationThe amount of data available online is constantly increasing, including search behavior and tracking trends in domains such as Google. Analyzing the data helps to predict patient needs and epidemiological events more accurately. Our study aimed to identify dermatology-related terms that occur seasonally and any search anomalies during the SARS-CoV-2 pandemic. Methods: The data were gathered using Google Trends, with 69 entries...
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Analysis of bandwidth reservation algorithms in HIPERLAN/2.
PublicationZaprezentowano metody alokacji zasobów (pasma) w systemie HIPERLAN/2. Przedyskutowano efektywność funkcjonowania typowych algorytmów pracy podwarstwy MAC oraz zaproponowano modyfikację jednego z algorytmów, polegającą na wstępnej rezerwacji pasma i okresowym uaktualnianiu przydziału zasobów. Dokonano weryfikacji symulacyjnej zaproponowanych rozwiązań.
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Molecular simulations study of ligand-release mechanism in an odorant-binding protein from the southern house mosquito
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Azomacrocyclic derivatives of imidazole: synthesis, structure, and metal ion complexation properties
PublicationNew azocrown ethers comprising imidazoles in the macrocycle have been synthesized. Imidazole, 2-methyl-, 4-methyl-, and 4-phenylimidazole were incorporated to form macrocyclic units by coupling with the appropriate bis-diazonium salts. The syntheseswere performed under high dilution conditions. The X-ray structure of a water adduct of the 21-membered crown ether derivative of 4-methylimidazole 8 has been solved. Metal...
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Software modules and application layer's security structure of RSMAD
PublicationThe paper discusses the software modules of Radio System for Monitoring and Acquisition of Data from Traffic Enforcement Cameras (in short RSMAD). The structure of the application layer of the system has also been analysed in details, including: purpose, structure and principles of operation of software modules constituting this system. In addition, the paper presents and discusses the structure of security of application layer...
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Sequence variants of p21 gene of the MRL/MpJ mouse: a possible association with the deficit of p21 protein and regenerative phenotype.
PublicationThe MRL/MpJ mouse is known for its enhanced regeneration abilities that manifested themselves by scarless ear-hole wound closure. The deficit of p21 found in the MRL is associated with the regenerative capacity as the p21 gene knockout in a mouse strain unrelated to the MRL mouse results in an ear-hole closure effect, similar to that observed in the MRL mouse. Cdkn1a gene encodes p21 protein, a cyclin-dependent kinase inhibitor,...
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Convenient and Efficient Synthesis of Functionalized 2-Sulfenylindoles
PublicationA simple, efficient, and practical sulfenylation at the C2 position of N-tosylindoles under mild conditions was developed. The designed transformation is based on the reaction of N-tosylindoles with BuLi and S-alkyl, and S-aryl phosphorodithioates or thiotosylates to produce 2-sulfenylindoles in moderate to high yields. The presence of additional hydroxy, carboxy, or amino functionalities did not disturb the formation of products
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Integration of a Multilevel Transport System Model into Sustainable Urban Mobility Planning
PublicationWhen planning their transport policy, cities usually focus on developing sustainable transport systems and reducing the negative consequences of transport. One way to deliver transport policies is to use the Sustainable Urban Mobility Plan (SUMP), a strategic document designed to meet the demand for mobility whilst ensuring adequate quality of life for the residents. The process of Sustainable Urban Mobility Planning (SUMP process)...
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Failure mode prediction for composite structural insulated panels with MgO board facings
PublicationSandwich panels are readily used in civil engineering due to their high strength to weight ratio and the ease and speed of assembly. The idea of a sandwich section is to combine thin and durable facings with a light-weight core and the choice of materials used allows obtaining the desired behaviour. Panels in consideration consist of MgO (magnesium oxide) board facings and expanded polystyrene core and are characterized by immunity...
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The validation process of truss model with joint eccentricities
PublicationNowadays, due to the technological reasons in modern lightweight steel trusses, fabricated from cold-formed sections, positive eccentricities appear in the truss nodes, to induce additional forces truss chords. In order to account for the real load-carrying capacity of truss node area the steel structure research was conducted in scale 1:1. As a result of experimental research, the forms of deformation and strains of the walls...
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Crystal structure and physical properties of AePd1-xP1+x (Ae = Ca, Sr)
PublicationWe report the discovery of two new compounds AePd1-xP1+x (Ae = Ca, Sr) crystallized in different hexagonal structures. Single crystals of AePd1-xP1+x (Ae = Ca, Sr) are obtained using the Bi-flux method. Crystallographic analysis by both powder and single crystal X-ray diffraction shows that CaPd1-xP1+x crystallizes in a non-centrosymmetric hexagonal structure with the space group P-6m2 (No.187) and lattice parameters a = b = 4.0391(9)...
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An automated learning model for twitter sentiment analysis using Ranger AdaBelief optimizer based Bidirectional Long Short Term Memory
PublicationSentiment analysis is an automated approach which is utilized in process of analysing textual data to describe public opinion. The sentiment analysis has major role in creating impact in the day-to-day life of individuals. However, a precise interpretation of text still relies as a major concern in classifying sentiment. So, this research introduced Bidirectional Long Short Term Memory with Ranger AdaBelief Optimizer (Bi-LSTM RAO)...
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COVID-19 in Pediatric Intensive Care Units in Poland, PAPITCO-19 Study (Polish Analysis of PICU Trends during COVID-19)
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Why is the cubic structure preferred in newly formed ice?
PublicationMolecular dynamics was employed to explain the preference for the cubic structure in newly formed crystals of ice. The results showed that in supercooled liquid water the molecules connected by hydrogen bonds are more likely to adopt relative orientations similar to the ones characteristic for cubic ice. The observed preference for certain relative orientations of molecules in the hydrogen-bonded pairs results in the higher probability...
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The Undisrupted Growth of the Airbnb Phenomenon between 2014–2020. The Touristification of European Cities before the COVID-19 Outbreak
PublicationAs a result of the Airbnb eruption, not only has the character of the short-term rental market been completely transformed, but the decades long growth in tourism has also been further accelerated. Therefore, due to the new demands of the tourism economy, the major shift in the usage of historic city centers occurred–the process of ‘touristification’, that results in the emergence of its new, unsustainable form. Despite the significance...
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Impedance Spectra of RC Model as a Result of Testing Pulse Excitation Measurement Method Dataset
PublicationThe dataset titled Impedance spectra of RC model as a result of testing pulse excitation measurement method contains the impedance spectrum of an exemplary test RC model obtained using pulse excitation. The dataset allows presentation of the accuracy of the impedance spectroscopy measuring instrument, which uses the pulse excitation method to shorten the time of the whole spectrum acquisition.