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Search results for: CASP, COVID, EMA, MODEL ACCURACY, PROTEIN STRUCTURE PREDICTION, SARS-COV-2
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Rhamnolipid CMC Prediction
PublicationRelationships between the purity, pH, hydrophobicity (log Kow) of the carbon substrate, and the critical micelle concentration (CMC) of rhamnolipid type biosurfactants (RL) were investigated using a quantitative structure–property relationship (QSPR) approach and are presented here for the first time. Measured and literature CMC values of 97 RLs, representing biosurfactants at different stages of purification, were considered....
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Theoretical study of the structure, energetics and vibrational frequencies of water-acetone and water-2-butanone complexes
PublicationKompleksy acetonu i 2-butanonu z 0-2 cząsteczkami wody połączonymi wiązaniem wodorowym z tlenem karbonylowym zbadano z wykorzystaniem teorii funkcjonału gęstości (DFT) na poziomie B3LYP/6-311++G(d,p). Obliczenia w fazie gazowej uzupełniono o optymalizacje w otoczeniu rozpuszczalnika, symulowanego za pomocą modelu polaryzowalnego kontinuum (PCM). Częstości drgań oscylacyjnych otrzymane na podstawie zależności empirycznej sa zgodne...
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Unusual structural properties of water within the hydration shell of hyperactive antifreeze protein
PublicationMany hypotheses can be encountered explaining the mechanism of action of antifreeze proteins. One widespread theory postulates that the similarity of structural properties of solvation water of antifreeze proteins to ice is crucial to the antifreeze activity of these agents. In order to investigate this problem, the structural properties of solvation water of the hyperactive antifreeze protein from Choristoneura fumiferana were...
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Numerical evaluation of dynamic response of an experimentally tested base-isolated and fixed-base steel structure model
PublicationSeismic isolation is recognized as one of the most popular and effective methods of protecting structures during earthquake. The present paper is focused on the comparison be-tween the dynamic responses of buildings with fixed and isolated bases exposed to seismic exci-tations. The aim of the study is to investigate the effectiveness of a simplified base isolation numerical modelling technique using the linear springs. One-storey...
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Active Learning on Ensemble Machine-Learning Model to Retrofit Buildings Under Seismic Mainshock-Aftershock Sequence
PublicationThis research presents an efficient computational method for retrofitting of buildings by employing an active learning-based ensemble machine learning (AL-Ensemble ML) approach developed in OpenSees, Python and MATLAB. The results of the study shows that the AL-Ensemble ML model provides the most accurate estimations of interstory drift (ID) and residual interstory drift (RID) for steel structures using a dataset of 2-, to 9-story...
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COVID-19 severity forecast based on machine learning and complete blood count data
PublicationProper triage of COVID-19 patients is a key factor in eective case management, especially with limited and insucient resources. In this paper, we propose a machine-aided diagnostic system to predict how badly a patient with COVID-19 will develop disease. The prognosis of this type is based on the parameters of commonly used complete blood count tests, which makes it possible to obtain data from a wide range of patients.We chose...
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COVID-19 severity forecast based on machine learning and complete blood count data
PublicationProper triage of COVID-19 patients is a key factor in eective case management, especially with limited and insucient resources. In this paper, we propose a machine-aided diagnostic system to predict how badly a patient with COVID-19 will develop disease. The prognosis of this type is based on the parameters of commonly used complete blood count tests, which makes it possible to obtain data from a wide range of patients.We chose...
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The crystal structure of (1RS,4RS,5RS,6SR)-5-cyano-5-nitro-6-phenyl-bicyclo[2.2.1]hept-2-ene
PublicationStructure of nitronorbornene derivative C14H12N2O2 synthesized in the reaction of cyclopentadiene with E-2-phenyl-1-cyano-1-nitroethene was determined by single crystal X-ray diffraction analysis. It was found that in analyzed molecule the nitro group is in endo-position whereas phenyl group have exo-ori-entation.
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Integrated information and prediction Web Service WaterPUCK General concept
PublicationIn this paper, general concept of a new method as ‘Integrated information and prediction Web Service WaterPUCK’ for investigation influence of agricultural holdings and land-use structures on coastal waters of the southern Baltic Sea is presented. WaterPUCK Service is focused on determination of the current and future environmental status of the surface water and groundwater located in the Puck District (Poland) and its impact...
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Study on the Positioning Accuracy of GNSS/INS Systems Supported by DGPS and RTK Receivers for Hydrographic Surveys
PublicationHydrographic surveys, in accordance with the International Hydrographic Organization (IHO) S-44 standard, can be carried out in the following five orders: Exclusive, Special, 1a, 1b and 2, for which minimum accuracy requirements for the applied positioning system have been set out. They are as follows, respectively: 1, 2, 5, 5 and 20 m, with a confidence level of 95% in twodimensional space. The Global Navigation Satellite System...
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Seismic response and performance prediction of steel buckling-restrained braced frames using machine-learning methods
PublicationNowadays, Buckling-Restrained Brace Frames (BRBFs) have been used as lateral force-resisting systems for low-, to mid-rise buildings. Residual Interstory Drift (RID) of BRBFs plays a key role in deciding to retrofit buildings after seismic excitation; however, existing formulas have limitations and cannot effectively help civil engineers, e.g., FEMA P-58, which is a conservative estimation method. Therefore, there is a need to...
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COVID-19 and digital deprivation in Poland
PublicationResearch background: The problem of digital deprivation is already known, but the COVID-19 pandemic has highlighted its negative consequences. A global change in the way of life, work and socialisation resulting from the epidemic has indicated that a basic level of digital integration is becoming necessary. During the lockdown, people were forced to use ICTs to adapt to a rapidly changing reality. Current experience with coronavirus...
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Dynamic Modeling of COVID-19 Disease with Impact of Lockdown in Pakistan and Malaysia
PublicationBeing researchers, it is an utmost responsibility to provide insight on social issues thus, this work addresses the dynamic modeling of first and most contagious disease named as COVID-19 caused by coronavirus. The first case of COVID-19 appeared in Pakistan was on 26th February 2020 and in Malaysia on 27th February 2020; both patients had foreign travel history. In the paper, the number of total affected cases and total deaths...
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Rich Bifurcation Structure in a Two-Patch Vaccination Model
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Thermal analysis of copper(II) complexes of general formula [Et4N]2[CuBrnCl4-n]
PublicationBadano dekompozycję termiczną związków składających sie z anionów: [CuBrnCl4-n]2- (n=0-4) i kationów tetrametyloamoniowych. Stosowano następujące metody badawcze: TG-FTIR, TG-MS, DTA i DTG. Pomiary przeprowadzono w atmosferze argonu i powietrza w zakresie temperatur od 293 K do 1073 K. Produkty dekompozycji identyfikowano metoda spektroskopii w podczerwieni (IR i FIR) oraz metodą dyfrakcji promieniowania rentgenowskiego.
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Iron–Sulfur Cluster Biogenesis Chaperones: Evidence for Emergence of Mutational Robustness of a Highly Specific Protein–Protein Interaction
PublicationBiogenesis of iron–sulfur clusters (FeS) is a highly conserved process involving Hsp70 and J-protein chaperones. However, Hsp70 specialization differs among species. In most eukaryotes, including Schizosaccharomyces pombe, FeS biogenesis involves interaction between the J-protein Jac1 and the multifunctional Hsp70 Ssc1. But, in Saccharomyces cerevisiae and closely related species, Jac1 interacts with the specialized Hsp70 Ssq1,...
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Intelligent Decision Forest Models for Customer Churn Prediction
PublicationCustomer churn is a critical issue impacting enterprises and organizations, particularly in the emerging and highly competitive telecommunications industry. It is important to researchers and industry analysts interested in projecting customer behavior to separate churn from non‐churn consumers. The fundamental incentive is a firm’s intent desire to keep current consumers, along with the exorbitant expense of gaining new ones....
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Using deep learning to increase accuracy of gaze controlled prosthetic arm
PublicationThis paper presents how neural networks can be utilized to improve the accuracy of reach and grab functionality of hybrid prosthetic arm with eye tracing interface. The LSTM based Autoencoder was introduced to overcome the problem of lack of accuracy of the gaze tracking modality in this hybrid interface. The gaze based interaction strongly depends on the eye tracking hardware. In this paper it was presented how the overall the...
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Prediction based on integration of Decisional DNA and a feature selection algorithm Relief-F
PublicationThe paper presents prediction model based on Decisional DNA and Set of experienced integrated with Relief_F algorithm for feature selection
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Use of the UNRES force field in template-assisted prediction of protein structures and the refinement of server models: Test with CASP12 targets
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Multicomponent ionic liquid CMC prediction
PublicationWe created a model to predict CMC of ILs based on 704 experimental values published in 43 publications since 2000. Our model was able to predict CMC of variety of ILs in binary or ternary system in a presence of salt or alcohol. The molecular volume of IL (Vm), solvent-accessible surface (Sˆ), solvation enthalpy (DsolvGN), concentration of salt (Cs) or alcohol (Ca) and their molecular volumes (Vms and Vma, respectively) were chosen...
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Identification of ship’s hull mathematical model with numerical methods
PublicationThe modern maritime industry is moving toward the development of technology that will allow for full or partial autonomy of ship operation. This innovation places high demands on ship performance prediction techniques at the design stage. The researchwork presented in the article is related to the design stage of the ship and concerns methods for prognosis and evaluation of the specific operational condition of the ship, namely...
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A model of occurrence of the situations endangering inland waterways passanger ships and the environment
PublicationZaproponowano czterostanowy semimarkowski model pojawiania się sytuacji zagrażających pasażerskim statkom śródlądowym. Model ten został opracowany w formie semimarkowskiego procesu dyskretnego w stanach i ciągłego w czasie, którego wartościami są rodzaje stanów, interpretowanych jako sytuacje: normalna, skomplikowana, niebezpieczna oraz awaryjna. Zobrazowano przykładową realizację procesu zmian sytuacji, jakie mogą pojawić się...
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A semi-Markov model of fuel combustion process in a Diesel engine
PublicationW artykule przedstawiono czterostanowy model procesu spalania w przestrzeniach roboczych (cylindrach) silników o zapłonie samoczynnym w formie procesu semimarkowskiego, dyskretnego w stanach i ciągłego w czasie. Wartościami tego procesu są stany odpowiadające powszechnie akceptowanym rodzajom spalania w tego rodzaju silnikach a mianowicie takie stany procesu jak: spalanie pełne (całkowite i zupełne), spalanie niezupełne, spalanie...
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QoS-sensitive selfish behavior in ad hoc wireless lans: a stochastic game model
PublicationRozważany jest prosty model stacji sieci bezprzewodowej wprowadzają-cych ruch elastyczny przy wymaganiu minimalnej przepływności. Każda stacja, okresowo przełączając się na egoistyczną konfigurację MAC, próbuje wyeliminować inne stacje z ubiegania się o pasmo sieci. Dla powstającej w ten sposób gry zastosowano model gry markowowskiej i pokazano istnienie symetrycznego punktu równowagi strategicznej.
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The accuracy of alternative stock valuation methods – the case of the Warsaw Stock Exchange
PublicationThe main aim of this article is to examine the accuracy of different methods of share valuation used by Polish analysts in reports prepared in order to issue recommendations for companies listed on the Warsaw Stock Exchange. In the literature on the subject, the view which prevails is that the more sophisticated methods, i.e. those taking into account the discounting process, are characterised by higher valuation accuracy. However,...
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ESCASA : Analytical estimation of atomic coordinates from coarse‐grained geometry for nuclear‐magnetic‐resonance ‐assisted protein structure modeling. I. Backbone and Hβ protons
PublicationA method for the estimation of coordinates of atoms in proteins from coarse-grained geometry by simple analytical formulas (ESCASA), for use in nuclear-magnetic-resonance (NMR) data-assisted coarse-grained simulations of proteins is proposed. In this paper, the formulas for the backbone Hα and amide (HN) protons, and the side-chain Hβ protons, given the Cα-trace, have been derived and parameterized, by using the interproton distances...
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Modeling of effect of plastic deformation on Barkhausen noise and magnetoacoustic emission in iron with 2% silicon
PublicationW modelowaniu zaadaptowano model Alessandro-Beatrice-Bertotti-Montorsi dla opisu ruchu granic nie-180 stopniowych oraz model Jiles-Atherton dla opisu wpływu plastycznej deformacji na natężenie efektu Barkhausena oraz emisji magnetoakustcznej.
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Preeclampsia Risk Prediction Using Machine Learning Methods Trained on Synthetic Data
PublicationThis paper describes a research study that investigates the use of machine learning algorithms on synthetic data to classify the risk of developing preeclampsia by pregnant women. Synthetic datasets were generated based on parameter distributions from three real patient studies. Four models were compared: XGBoost, Support Vector Machine (SVM), Random Forest, and Explainable Boosting Machines (EBM). The study found that the XGBoost...
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Systematic Literature Review on Click Through Rate Prediction
PublicationThe ability to anticipate whether a user will click on an item is one of the most crucial aspects of operating an e-commerce business, and clickthrough rate prediction is an attempt to provide an answer to this question. Beginning with the simplest multilayer perceptrons and progressing to the most sophisticated attention networks, researchers employ a variety of methods to solve this issue. In this paper, we present the findings...
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A model of risk for assessment of ships in damaged conditions
PublicationW pracy omówiono problemy związane z modelowaniem zagrożeń, konsekwencji i ryzyka, w metodzie oceny bezpieczeństwa statków w stanie uszkodzonym. W celu dokonania oceny bezpieczeństwa statku, w metodzie zastosowano podejścia oparte na ocenie zachowania się statku i ocenie ryzyka. Podejście oparte na ocenie zachowania się statku związane jest z oceną charakterystyk hydromechanicznych statku w stanie uszkodzonych w warunkach zbliżonych...
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Lattice type fracture model for brittle materials
PublicationW artykule przedstawiono wyniki obliczeń propagacji rys w elementach betonowych przy zastosowaniu modelu dyskretnego opartego na ruszcie belkowym. Obliczenia wykonano dla różnych problemów brzegowych. W modelu przyjęto inne właściwości dla kruszywa, zaczynu cementowego oraz strefy kontaktu.
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2D lattice model for fracture in brittle materials
PublicationW artykule przedstawiono wyniki obliczeń propagacji rys w elementach betonowych przy zastosowaniu modelu dyskretnego opartego na ruszcie belkowym. Obliczenia wykonano dla różnych problemów brzegowych.
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The Impact of Covid-19 on the Performance of Exchange Traded Funds on Developed and Emerging Markets
PublicationIn this paper an endeavour was made to evaluate the impact of Covid-19 on the achievement of the investment objectives by selected ETFs in developed and emerging markets. For this purpose, the tracking errors calculated for 18 different ETFs operating on the basis of American, Asian and European stock indexes were analyzed. The time range of the research was selected in such a way as to compare the period before the pandemic(pre-Covid)...
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Bounding approach to parameter estimation without priori knowledge on model structure error.
PublicationArtykuł przedstawia estymację parametrów modelu ARMA (Autoregresive moving average) metodą zbiorów ograniczonych. Założono brak wiedzy na temat ograniczeń na błąd struktury modelu lub, że wiedza ta jest bardzo konserwatywna. W celu redukcji tego konserwatyzmu, zaproponowano koncepcje modelu punktowo-parametrycznego. W podejściu tym zakłada się istnienie zbioru parametrów modelu oraz błędu struktury odpowiadających każdej z trajektorii...
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Application of gas chromatographic data and 2D molecular descriptors for accurate global mobility potential prediction
PublicationMobility is a key feature affecting the environmental fate, which is of particular importance in the case of persistent organic pollutants (POPs) and emerging pollutants (EPs). In this study, the global mobility classification artificial neural networks-based models employing GC retention times (RT) and 2D molecular descriptors were constructed and validated. The high usability of RT was confirmed based on the feature selection...
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Managing Unemployment under COVID-19 Conditions (States of Emergency or Crisis)
PublicationRising unemployment is one of the consequences of the COVID-19 pandemic in many countries. This, in turn, has forcedpolicymakers to respond immediately with policy tools to minimize unemployment. The purpose of our study is to contribute toempirical knowledge by looking at activities of 40 local government units to counteract unemployment in the cross-border regionon the Polish side. In doing this, our study contributes to the...
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Sense of safety and opinions about COVID-19 vaccinations in Polish school teachers: The role of conspiracy theories belief and fear of COVID-19
PublicationThe co-occurrence of COVID-19 conspiracy theories (CCT) and fear of the coronavirus (FCV) can be linked to how safe people feel and how much they endorse vaccinations. School teachers were one of the vaccination priority groups in Poland. We conducted three cross-sectional studies (N1 = 1006; N2 = 1689; N3 = 627) to find out the potential interactive effects of CCT belief and FCV in predicting sense of safety (SoS; Studies 1-3),...
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A new index for statistical analyses and prediction of travelling ionospheric disturbances
PublicationTravelling Ionospheric Disturbances (TIDs) are signatures of atmospheric gravity waves (AGWs) observed in changes in the electron density. The analysis of TIDs is relevant for studying coupling processes in the thermosphere–ionosphere system. A new TID index is introduced, which is based on an easy extension of the commonly used approach for TID detection. This TID activity index, which can be applied for individual Global Navigation...
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Tool Wear Prediction in Single-Sided Lapping Process
PublicationSingle-sided lapping is one of the most effective planarization technologies. The process has relatively complex kinematics and it is determined by a number of inputs parameters. It has been noted that prediction of the tool wear during the process is critical for product quality control. To determine the profile wear of the lapping plate, a computer model which simulates abrasive grains trajectories was developed in MATLAB. Moreover,...
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Improved model of void fraction distribution in two-phase flow in the boundary layer
PublicationPraca skupiona jest na eksperymentalnej weryfikacji sił działających na pęcherzyk gazowy przepływający wzdłuż ścianki kanału, a następnie implementacji uzyskanych wyników do zaproponowanego wczesniej przez jednego z współautorów modelu rozkładu stopnia zapełnienia w warstwie przyściennej przepływu dwufazowego. Podczas badań pęcherzyk modelowany był sztywną kulą podwieszoną na strunie. Autorzy przekonują, że pokazany model dobrze...
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Lifestyle changes in patients with morbid obesity and type 2 diabetes mellitus during the COVID-19 pandemic
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Model of speed-varing rotor for mechatronic systems analysis and design
PublicationW artykule przedstawiono sposób modelowania złożonych układów mechatronicznych w oparciu o metodę grafów wiązań. Celem zilustrowania metody posłużono się przykładem liczbowym, w którym rozważano wirnik obracający się ze zmienną prędkością kątową. Prezentowana metodyka doskonale nadaje się do modelowania układów o zróżnicowanej naturze fizycznej. Otrzymany model ma charakter obiektu o pewnej liczbie wejść i wyjść, który można w...
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Stochastic model of the process of starting combustion engines and practical application of the process
PublicationW atrykule zaproponowano model procesu rozruchu silników o zapłonie samoczynnym w formie procesu semimarkowskiego dyskretnego w stanach i ciągłego w czasie. Zaproponowano również koncepcję zastosowania opracowanego modelu do określenia ilości substancji szkodliwych, jakie są emitowane wraz z spalinami do otoczenia podczas rozruchu każdego silnika. W rozważaniach tych przyjęto, że statystyka zmiennej losowej, rozumianej jako masa...
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Are Pair Trading Strategies Profitable During COVID-19 Period?
PublicationPair trading strategy is a well-known profitable strategy in stock, forex, and commodity markets. As most of the world stock markets declined during COVID-19 period, therefore this study is going to observe whether this strategy is still profitable after COVID-19 pandemic. One of the powerful algorithms of DBSCAN under the umbrella of unsupervised machine learning is applied and three clusters were formed by using market and accounting...
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Accuracy of the discrete Green's function computations
PublicationThis paper discusses the accuracy of the discrete Green's function (DGF) computations. Recently closed-form expression of the DGF and its efficient numerical implementation were presented which facilitate the DGF applications in FDTD simulations of radiation and scattering problems. By carefully comparing the DGF results to those of the FDTD simulation, one can make conclusions about the range of the applicability of the DGF for...
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CORPORATE BANKRUPTCY PREDICTION IN POLAND AGAINST THE BACKGROUND OF FOREIGN EXPERIENCE
PublicationIn highly developed countries, research in the field of bankruptcy risk prediction has been conducted for many years. For example, in the United States, which can be considered a pioneering country, the first publications appeared in the early twentieth century. In Poland, due to political and economic reasons, the interest in this issue dates back to the early 1990s. For this reason, this publication attempts to answer the following...
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CORPORATE BANKRUPTCY PREDICTION IN POLAND AGAINST THE BACKGROUND OF FOREIGN EXPERIENCE
PublicationIn highly developed countries, research in the field of bankruptcy risk prediction has been conducted for many years. For example, in the United States, which can be considered a pioneering country, the first publications appeared in the early twentieth century. In Poland, due to political and economic reasons, the interest in this issue dates back to the early 1990s. For this reason, this publication attempts to answer the following...
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A Data Driven Model for Predicting RNA-Protein Interactions based on Gradient Boosting Machine
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Elastic-contractile model proteins: Physical chemistry, protein function and drug design and delivery
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