Search results for: LOCALIZED WANNIER FUNCTIONS
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Tuning the work function of graphite nanoparticles via edge termination
PublicationGraphite nanoparticles are important in energy materials applications such as lithium-ion batteries (LIBs), supercapacitors and as catalyst supports. Tuning the work function of the nanoparticles allows local control of lithiation behaviour in LIBs, and the potential of zero charge of electrocatalysts and supercapacitors. Using large scale density functional theory (DFT) calculations, we find that the surface termination of multilayer...
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A model of damaged media used for describing the process of non-stationary creep and long-term strength of polycrystalline structural alloys
PublicationThe main laws of the processes of creep and long-term strength of polycrystalline structural alloys are considered. From the viewpoint of continuum damaged media (CDM), a mathematical model is developed that describes the processes of viscoplastic deformation and damage accumulation under creep. The problem of determining material parameters and scalar functions of the developed constitutive relations based on the results of specially...
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On the Use of Selected 4th Generation Nuclear Reactors in Marine Power Plants
PublicationThis article provides a review of the possibility of using different types of reactors to power ships. The analyses were carried out for three different large vessels: a container ship, a liquid gas carrier and a bulk carrier. A novelty of this work is the analysis of the proposal to adapt marine power plants to ecological requirements in shipping by replacing the conventional propulsion system based on internal combustion engines...
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A general isogeometric finite element formulation for rotation‐free shells with in‐plane bending of embedded fibers
PublicationThis article presents a general, nonlinear isogeometric finite element formulation for rotation-free shells with embedded fibers that captures anisotropy in stretching, shearing, twisting, and bending - both in-plane and out-of-plane. These capabilities allow for the simulation of large sheets of heterogeneous and fibrous materials either with or without matrix, such as textiles, composites, and pantographic structures. The work...
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The Impact of Decommissioning Cemeteries on the Urban Ecosystem
PublicationThe decommissioning of cemeteries noticeably transforms the urban fabric. The purpose of this article was to determine what impact the decommissioning of cemeteries has on the urban ecosystem. For this purpose, it was necessary to assess the value of cemeteries within the urban ecosystem. Cemeteries are classified as urban green spaces, and their value as preservers of flora and fauna in local ecosystems has been proven. However,...
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Acceleration of Electromagnetic Simulations on Reconfigurable FPGA Card
PublicationIn this contribution, the hardware acceleration of electromagnetic simulations on the reconfigurable field-programmable-gate-array (FPGA) card is presented. In the developed implementation of scientific computations, the matrix-assembly phase of the method of moments (MoM) is accelerated on the Xilinx Alveo U200 card. The computational method involves discretization of the frequency-domain mixed potential integral equation using...
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Biomechanical properties of 3D-printed bone models
PublicationBone lesions resulting from large traumas or cancer resections can be successfully treated by directly using synthetic materials or in combination with tissue engineering methods (hybrid). Synthetic or hybrid materials combined with bone tissue’s natural ability for regeneration and biological adaptation to the directions of loading, allow for full recovery of its biological functions. Increasing interest in new production methods...
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Protection of historical heritage as part of the development of cultural tourism – a case study of the community of Kamieniec Ząbkowicki in Lower Silesia
PublicationBoth literature and economics show a changing approach to historical heritage. It is no longer seen as a resource that generates only high maintenance costs. Analyses of local government units (LGUs) show that historical heritage is a strength rather than a weakness. More and more often, it is considered in economic development strategies as an asset that creates new activities and functions, generates income, and creates jobs....
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Analysis of nonlinear eigenvalue problems for guides and resonators in microwave and terahertz technology
PublicationThis dissertation presents developed numerical tools for investigating waveguides and resonators' properties for microwave and terahertz technology. The electromagnetics analysis requires solving complex eigenvalue problems, representing various parameters such as resonant frequency or propagation coefficient. Solving equations with eigenvalue boils down to finding the roots of the determinant of the matrix. At the beginning, one...
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High frequency oscillations are associated with cognitive processing in human recognition memory
PublicationHigh frequency oscillations are associated with normal brain function, but also increasingly recognized as potential biomarkers of the epileptogenic brain. Their role in human cognition has been predominantly studied in classical gamma frequencies (30-100 Hz), which reflect neuronal network coordination involved in attention, learning and memory. Invasive brain recordings in animals and humans demonstrate that physiological oscillations...
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The role of organic and mineral constituents on kerogen transformation ratio
PublicationThe main aim of this dissertation is to determine the role of mineral and organic matter constituents in kerogen transformation ratio. Practical aspects of the work include application of the results in the assessment of hydrocarbon production potential; to make process of hydrocarbon recovery more predictable consistent and efficient. The work used shale from the Vaca Muerta formation from the Nequen basin in Argentina. The formation...
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Physical Chemistry_GTM_20_21_winter
e-Learning CoursesThe aim of the subject is to familarize the student with fundamental physico-chemical laws in chemical thermodynamics, phase equilibria and chemical equilibria together with ability of solving relevant text problems involving calculations, as well as teachnig him/her effective and safe carrying out simple experiments/measurements of physico-chemical quantities and proper presentation and interpretation of their results. LECTURES Chemical...
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Multimedia System for Environmental Noise Monitoring. [Multimedialny System Monitorowania Hałasu Środowiskowego]
PublicationIntroductionNumerous reports relating to noise threats in Poland indicate that they occur commonly. The noise has an enormous impact on the health and life quality of the human beings. Noise pollution in Poland is greater than in others UE countries, moreover it has been increased recently. Taking into account 2002/49/WE directive related to the control and assessment of environmental noise a necessity of monitoring these threats...
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Dobór głównych parametrów instalacji grzewczych spalinowych siłowni okrętowych z wykorzystaniem metod i modeli probabilistycznych
PublicationPraca doktorska przedstawia nowatorską metodę projektowania okrętowych instalacji grzewczych. Metoda ta powstała dzięki analizie statystycznej danych zebranych z kilkunastu statków dotyczących między innymi wytwarzania pary w kotłach utylizacyjnych i zapotrzebowania na ciepło przez odbiorniki pary. Zaproponowany w pracy proces projektowy wykorzystuje równania korelacji wynikające z analizy statystycznej. Wytwarzanie ciepła oraz...
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Thermodynamic Characteristics of Phenacetin in Solid State and Saturated Solutions in Several Neat and Binary Solvents
PublicationThe thermodynamic properties of phenacetin in solid state and in saturated conditions in neat and binary solvents were characterized based on differential scanning calorimetry and spectroscopic solubility measurements. The temperature-related heat capacity values measured for both the solid and melt states were provided and used for precise determination of the values for ideal solubility, fusion thermodynamic functions, and...
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Independent dynamics of slow, intermediate, and fast intracranial EEG spectral activities during human memory formation
PublicationA wide spectrum of brain rhythms are engaged throughout the human cortex in cognitive functions. How the rhythms of various low and high frequencies are spatiotemporally coordinated across the human brain during memory processing is inconclusive. They can either be coordinated together across a wide range of the frequency spectrum or induced in specific bands. We used a large dataset of human intracranial electroencephalography...
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Economic significance of initial public offerings in China and India
PublicationRapid economic growth in China and India has attracted attention of many researchers, focusing on various social and economic factors underlying the success of these countries. One of the key components of country’s economy is financial system which consists of segments such as banking sector and equity market. The topic of initial public offerings (IPOs), one of the corporate financing sources, involving raising funds through...
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Research Platform for Monitoring, Control and Security of Critical Infrastructure Systems
PublicationSustainable operation of Critical Infrastructure Systems (CISs) is of a major concern to modern societies. Monitoring, control and security of such systems plays a key role in guaranteeing continuous, reliable and above all secure access to the resources provided by these systems. Development of adequate software and hardware structures, as well as algorithms to perform such functions cannot be done apart from the operational conditions...
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Self-Adaptive Mesh Generator for Global Complex Roots and Poles Finding Algorithm
PublicationIn any global method of searching for roots and poles, increasing the number of samples increases the chances of finding them precisely in a given area. However, the global complex roots and poles finding algorithm (GRPF) (as one of the few) has direct control over the accuracy of the results. In addition, this algorithm has a simple condition for finding all roots and poles in a given area: it only requires a sufficiently dense...
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Procognitive activity of nitric oxide inhibitors and donors in animal models
PublicationNitric oxide is a small gaseous molecule that plays important roles in the majority of biological functions. Impairments of NO-related pathways contribute to the majority of neurological disorders, such as Alzheimer’s disease (AD), and mental disorders, such as schizophrenia. Cognitive decline is one of the most serious impairments accompanying both AD and schizophrenia. In the present study, the activities of NO donors, slow (spermine...
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Trust, Tacit Knowledge Sharing, Project Performance and their Managerial Implications
PublicationTacit Knowledge Sharing is increasingly attracting the attention of scientists and managers intrigued by their potential application for creating innovative solutions. Project management as a set of methodologies and best practices need to be charged by knowledge. The research problem tackled in this article refers to a current managerial problem regarding tacit knowledge sharing execution in project based organizations. The objective...
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A study of the kinetics of bismuth telluride synthesis by an oxide reduction method
PublicationThe kinetics of a reduction of bismuth and tellurium oxides in a hydrogen atmosphere, leading to the formation of thermoelectric bismuth telluride is investigated. The evaluation of the reaction kinetics was based on a thermogravimetric analysis performed in non-isothermal conditions. A non-parametric analysis method and the Friedman method were used for the evaluation of the data. Additionally, for a better understanding of the...
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Application of Analytic Signal and Smooth Interpolation in Pulse Width Modulation for Conventional Matrix Converters
PublicationThe paper proposes an alternative and novel approach to the PWM duty cycles computation for Conventional Matrix Converters (CMC) fed by balanced, unbalanced or non–sinusoidal AC voltage sources. The presented solution simplifies the prototyping of direct modulation algorithms. PWM duty cycles are calculated faster by the smooth interpolation technique, using only vector coordinates, without trigonometric functions and angles. Both...
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Flexible Knowledge–Vision–Integration Platform for Personal Protective Equipment Detection and Classification Using Hierarchical Convolutional Neural Networks and Active Leaning
PublicationThis work is part of an effort to develop of a Knowledge-Vision Integration Platform for Hazard Control (KVIP-HC) in industrial workplaces, adaptable to a wide range of industrial environments. The paper focuses on hazards resulted from the non-use of personal protective equipment (PPE). The objective is to test the capability of the platform to adapt to different industrial environments by simulating the process of randomly selecting...
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Flame retardant epoxy/halloysite nanotubes nanocomposite coatings: Exploring low-concentration threshold for flammability compared to expandable graphite as superior fire retardant
PublicationEpoxy nanocomposites containing halloysite nanotubes (HNTs) were developed and their low-concentration thresholds for thermal stability and flame retardancy were compared with that of epoxy system containing expandable graphite (EG), as a reference with superior flame retardancy. The effects of HNTs and EG on the peak of Heat Release Rate (pHRR), Total Heat Release (THR), and Time-To-Ignition (TTI) of the prepared samples were...
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Towards Contactless, Hand Gestures-Based Control of Devices
PublicationGesture-based intuitive interactions with electronic devices can be an important part of smart home systems. In this paper, we adapt the contactless linear gesture sensor for the navigation of smart lighting system. Set of handled gestures allow to propose two methods of active light source selection, continuous dimming, and turning on and off based on discrete gestures. The average gesture recognition accuracy was 97.58% in the...
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Developing a Metropolitan Transport System—Exemplified by the Gdansk–Gdynia–Sopot Metropolitan Area
PublicationAs regional centres with metropolitan functions, metropolises grow and develop depending on how well they can meet the area’s transport needs internally and externally, a result of their socio-economic relations. The transport system of a metropolitan area must ensure that people and goods can move efficiently, effectively and environmentally friendly. Over the last ten years, the transport system of the Gdańsk–Gdynia–Sopot Metropolitan...
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A method of Functional Test interval selection with regards to Machinery and Economical aspects
PublicationThis paper discusses the problem of choosing the optimal frequency of functional test, including the reliability calculations and production efficiency, but also the effect of company risk management. The proof test as a part of the functional test interval is well described for the process industry. Unfortunately, this situation is not the case for the machinery safety functions with low demand mode. Afterwards, it is presented...
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BASICS OF THE MANAGEMENT SYSTEM FOR TRANSFORMATIONS OF PRODUCTION PLANNING AND CONTROL PROCESSES
PublicationIntensive development of technologies, in particular of the spinotronics, nanotechnology, robotics, and ICT, shapes the new generation production systems. Their distinctive feature is the flexi-bility associated with production intelligence. It is required from all processes, including the production planning and control processes (PPCP). The article is of conceptual character. It was prepared based on literature research. It encompasses...
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Anion–water interactions of weakly hydrated anions: molecular dynamics simulations of aqueous NaBF4 and NaPF6
PublicationIn 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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A mathematical model of rheological behavior of novel bio-based isocyanate-terminated polyurethane prepolymers
PublicationIn this paper, the results of rheological study on isocyanate-terminated polyurethane prepolymers, containing modified soybean oil residues incorporated into the chemical structure are described. Isocyanate-terminated prepolymers were synthesized from 4,4′-diphenylmethane diisocyanate and the mixture of hydroxylated soybean oil and commercial polyether. The measurements were performed by using rotary rheometer R/S-CPS+ (Brookfield,...
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O 1s excitation and ionization processes in the CO2 molecule studied via detection of low-energy fluorescence emission
PublicationOxygen 1s excitation and ionization processes in the CO2 molecule have been studied with dispersed and non-dispersed fluorescence spectroscopy as well as with the vacuum ultraviolet (VUV) photon-photoion coincidence technique. The intensity of the neutral O emission line at 845 nm shows particular sensitivity to core-to-Rydberg excitations and core-valence double excitations, while shape resonances are suppressed. In contrast,...
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Determining and verifying the safety integrity level of the safety instrumented systems with the uncertainty and security aspects
PublicationSafety and security aspects consist of two different group of functional requirements for the control and protection systems. In the paper it is proposed that the security analysis results can be used as a factor increasing or decreasing the risk level. It concerns a process of determining required safety integrity level of given safety functions. The authors propose a new approach for functional safety risk analysis. In this case...
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Galerkin formulations of isogeometric shell analysis: Alleviating locking with Greville quadratures and higher-order elements
PublicationWe propose new quadrature schemes that asymptotically require only four in-plane points for Reissner–Mindlin shell elements and nine in-plane points for Kirchhoff–Love shell elements in B-spline and NURBS-based isogeometric shell analysis, independent of the polynomial degree p of the elements. The quadrature points are Greville abscissae associated with pth-order B-spline basis functions whose continuities depend on the specific...
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DFT study of low-energy electron interaction with pyridine, pyrazine and their halo derivatives
PublicationIn this work, the density functional theory with B3LYP hybrid functional was employed to calculate quantities useful for estimating the behavior of pyridine, pyrazine and their derivatives monosubstituted with Cl or Br atom, when exposed to low-energy electron impact. Vertical electron affinities obtained in several Pople basis sets and in aug-cc-pVTZ basis set are reported. Although some of the investigated molecules do not form...
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Experimental observations on the creep behaviour of frozen soil
PublicationConstitutive models in the literature for creep of frozen soil are based on the direct use of time counted from the onset of creep. An explicit time dependence in a constitutive equation violates the principles of rational mechanics. No change in stress or temperature is allowed for during creep, using the time-based formulations. Moreover, the existing descriptions need much verification and improvement on the experimental side...
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Recent advances in reinforced bioplastics for food packaging – A critical review
PublicationRecently, diversifying the material, method, and application in food packaging has been massively developed to find more environment-friendly materials. However, the mechanical and barrier properties of the bioplastics are major hurdles to expansion in commercial realization. The compositional variation with the inclusion of different fillers could resolve the lacking performance of the bioplastic. This review summarizes the various...
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Green Polymer Nanocomposites for Skin Tissue Engineering
PublicationFabrication of an appropriate skin scaffold needs to meet several standards related to the mechanical and biological properties. Fully natural/green scaffolds with acceptable biodegradability, biocompatibility, and physiological properties quite often suffer from poor mechanical properties. Therefore, for appropriate skin tissue engineering and to mimic the real functions, we need to use synthetic polymers and/or additives as complements...
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A new anisotropic bending model for nonlinear shells: Comparison with existing models and isogeometric finite element implementation
PublicationA new nonlinear hyperelastic bending model for shells formulated directly in surface form is presented, and compared to four existing prominent bending models. Through an essential set of elementary nonlinear bending test cases, the membrane and bending stresses of each model are examined analytically. Only the proposed bending model passes all the test cases, while the other bending models either fail or only pass the test cases for...
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Biopolymer-based composites for tissue engineering applications: A basis for future opportunities
PublicationBiomimetic scaffolds supporting tissue regeneration are complex materials with multifunctional characteristics. The unique biocompatibility and biodegradability of biopolymers make them excellent candidates for tissue engineering and regenerative medicine. Biopolymers, which have a wide range of properties, can be obtained from different natural sources. Depending on the target tissue, biopolymers can be engineered to meet a series...
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Suppressors of lapC mutation identify new regulators of LpxC, which mediates the first committed step in lipopolysaccharide biosynthesis
PublicationGram-negative bacteria, such as Escherichia coli, are characterized by an asymmetric outer membrane (OM) with lipopolysaccharide (LPS) located in the outer leaflet and phospholipids facing the inner leaflet. E. coli recruits LPS assembly proteins LapB, LapC and LapD in concert with FtsH protease to ensure a balanced biosynthesis of LPS and phospholipids. We recently reported that bacteria either lacking the periplasmic domain of...
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Tacit Knowledge Sharing and Creativity. How to Derive Innovation from Project Teams?
PublicationModern companies are increasingly likely to work in a project management environment, which ensures their success in the implementation of innovation. The aim of the study is to prove that tacit knowledge is a mediator for creativity and project performance. Creativity as one of the crucial sources of innovation is stimulated by tacit knowledge. Bearing this fact in mind, the authors studied relations between tacit knowledge, creativity...
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Rapid Microwave Design Optimization in Frequency Domain Using Adaptive Response Scaling
PublicationIn this paper, a novel methodology for cost-efficient microwave design optimization in the frequency domain is proposed. Our technique, referred to as adaptive response scaling (ARS), has been developed for constructing a fast replacement model (surrogate) of the high-fidelity electromagnetic-simulated model of the microwave structure under design using its equivalent circuit (low-fidelity model). The basic principle of ARS is...
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Multi-Channel Virtual Instrument for Measuring Temperature—A Case Study
PublicationThe article presents the hardware and software configuration of the developed multi-channel temperature measurement system as well as calibration procedures and measurement results verifying the properties of measurement channels. The system has been developed and dedicated primarily for measuring the temperature distribution in a laboratory model simulating underground power lines. With the adopted configuration of the analog...
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The Design of Cavity Resonators and Microwave Filters Applying Shape Deformation Techniques
PublicationThis article introduces shape deformation as a new approach to the computer-aided design (CAD) of high-frequency components. We show that geometry deformation opens up new design possibilities and offers additional degrees of freedom in the 3-D modeling of microwave structures. Such design flexibility is highly desirable if the full potential of additive manufacturing (AM) is to be exploited in the fabrication of RF and microwave...
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ENG_Architectural Design sem 6_2022_2023_KAMiUP
e-Learning CoursesThe course concerns the shaping of marketplace facilities with accompanying functions. The course presents a multifaceted approach to the issues, including technical, legal, economic, environmental, and cultural issues. The aim of the course, based on a case study in Gdańsk (Marketplace Gdańsk-Wrzeszcz (Targowisko Gdańsk-Wrzeszcz) and its surroundings), is to understand the problem of regeneration of exhibition spaces and to develop...
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Monometallic nanoparticles decorated and rare earth ions doped KTaO3/K2Ta2O6 photocatalysts with enhanced pollutant decomposition and improved H2 generation
PublicationNew, monometallic nanoparticles (MNPs) decorated surface and rare earth (RE) ions doped lattice of perovskite-type (KTaO3)/pyrochlore-type (K2Ta2O6) photocatalysts were successfully prepared by facile hydrothermal incorporation of RE ions into KTaO3/K2Ta2O6 lattices followed by photodeposition of MNPs. The impact of noble metal type (MNPs = Au, Pt, Rh) and rare earth dopant type (RE = Er, Pr) on the physicochemical properties correlated...
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Probabilistic Approach to Precipitation-Runoff Relation in a Mountain Catchment: A Case Study of the Kłodzka Valley in Poland
PublicationOn the basis of daily precipitation and discharges recorded in 1974–2013 relations between precipitation and runoff in the Kłodzka Valley (KV) in south-western Poland were analyzed. The degree of synchronicity between them was determined using the bivariate Archimedean copulas. This study aims at identifying and then describe in a probabilistic way the precipitation and runoff relations in the area playing an important role...
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Predicting Value of Binding Constants of Organic Ligands to Beta-Cyclodextrin: Application of MARSplines and Descriptors Encoded in SMILES String
PublicationThe quantitative structure–activity relationship (QSPR) model was formulated to quantify values of the binding constant (lnK) of a series of ligands to beta–cyclodextrin (β-CD). For this purpose, the multivariate adaptive regression splines (MARSplines) methodology was adopted with molecular descriptors derived from the simplified molecular input line entry specification (SMILES) strings. This approach allows discovery of regression...
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Distinguishing of cocrystals from simple eutectic mixtures: phenolic acids as potential pharmaceutical coformers
PublicationThe multiparameter model comprising 1D and 2D QSPR/QSAR descriptors was proposed and validated for phenolic acid binary systems. This approach is based on the optimization of regression coefficients for maximization of the percentage of true positives in the pool of systems comprising either simple binary eutectics or cocrystals. The training set consisted of 58 eutectics and 168 cocrystals. The solid dispersions collection used...