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Wyniki wyszukiwania dla: empirical potentials
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Modification and Optimization of the United-Residue (UNRES) Potential Energy Function for Canonical Simulations. I. Temperature Dependence of the Effective Energy Function and Tests of the Optimization Method with Single Training Proteins
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Design, synthesis and high antitumor potential of new unsymmetrical bisacridine derivatives towards human solid tumors, specifically pancreatic cancers and their unique ability to stabilize DNA G-quadruplexes
PublikacjaNew promising unsymmetrical bisacridine derivatives (UAs), have been developed. Three groupsincluding 36 compounds were synthesized by the condensation of 4-nitro or 4-methylacridinone, imi-dazoacridinone and triazoloacridinone derivatives with 1-nitroacridine compounds linked with anaminoalkyl chain. Cytotoxicity screening revealed the high potency of these compounds against severaltumor cell lines. Particularly, imidazoacridinone-1-nitroacridine...
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Potential of Polish R&D industry in the context of prototyping, design, development and control of a dedicated national satellite SAR system for marine ecosystem monitoring. Technical paper - preliminary study
Publikacjapace technology is currently one of the most important elements in the advance of information societies and knowledge-based economies all over the world. The European Space Agency (ESA) is in the focal point of European space activities, while the European Union provides strong financial support for the development of space technologies and applications in its flagship programs. In a domestic scope, the Polish Space Agency (POLSA)...
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Synthesis and molecular structure of novel 2-(alkylthio)-4-chloro-N-(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamideswith potential anticancer activity
PublikacjaOtrzymano 15 nowych związków: 2-(alkilotio)-4-chloro-N-(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-5-metylobenzenosulfonamidów, dla których opracowano nową metodę syntezy. Dla jednej pochodnej wyznaczono strukturę rentgenowską. Związek nr 36 wykazuje wysoką aktywność przeciwnowotworową w stosunku do 13 linii komórek nowotworowych o poziomie GI_50 w zakresie stężeń 1,9-3,0 μM.
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C-1311 (Symadex), a potential anti-cancer drug, intercalates into DNA between A and G moieties. NMR-derived and MD-refined stereostructure of the d(GAGGCCTC) 2 :C-1311 complex
PublikacjaImidazoacridinone C-1311 (Symadex®) is an antitumor agent which has been recommended for Phase II clinical trials a few years ago. Previously, it was shown experimentally that during the initial stage of its action C-1311 forms stable intercalation complexes with DNA duplexes. Herein, a NMR-derived stereostructure of d(GAGGCCTC)2:C-1311 complex was reported. The ligand was found locating itself between A and G moieties, forming...
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Arylated carbon nanotubes for biobatteries and biofuel cells
PublikacjaSinglwalled carbon nanotubes (swcnts)covalently phenylated, napthylated or terphenylated were used for the construction of cathodes in a biobattery and in a biofuel cell. zn is the anode in the biobaterry and single-walled carbon nanotubes are covalently modified with glucose oxidase/catalase (swcnt-gox/cat) and the biofuel cell anode. the cell parameters were determined and the potentials of each of the electrodes under cell working...
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A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. III. Determination of scale-consistent backbone-local and correlation potentials in the UNRES force field and force-field calibration and validation
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Knowledge Risks Arising from Digitalization
PublikacjaPurpose - This conceptual paper aims to identify and analyse knowledge risks resulting from digitalization. Additionally, the paper tries to present factors influencing knowledge risks arising from digitalization and ways of handling them. Design/methodology/approach – The study is a continuation of the research by Durst and Zieba (2019) related to knowledge risks and their potential outcomes. This present study makes an update...
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The impact of China’s One-Belt One-Road initiative on international trade and global value chains
PublikacjaThis study examines the potential effects of China’s ‘One-Belt One-Road’initiative (OBOR) on trade flows and global value chain (GVC) connections.The empirical analysis is based on the augmented trade gravity model, which comprises 186 economies and 199 of their partners from 2000 to 2018. We also estimate the gravity model for involvement in GVC (domestic value added in intermediate exports, foreign value added in exports, and...
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Direct-Ultrasonic Assisted Microextraction Coupled with RTL-GC-FID/GC-MS as a Future Standard Procedure for Monitoring 26 potentially Allergenic Fragrances in Water Samples
PublikacjaThis research topic grew up as a result of awareness of constant anthropogenic and natural input to the environment constituents of personal care products (PCPs) residues. This group of emerging pollutants encompasses a wide range of chemicals, including potentially allergenic fragrance compounds. The aim of the present study was to investigate presence of 26 fragrance allergens in water samples. Simple and rapid methodology based...
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Comparative effects of biochar-nanosheets and conventional organic-amendments on health risks abatement of potentially toxic elements via consumption of wheat grown on industrially contaminated-soil
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Evaluation of potentially toxic elements’ (PTEs) vertical distribution in sediments of Gafsa–Metlaoui mining basin (Southwestern Tunisia) using geochemical and multivariate statistical analysis approaches
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Oscylacje różnicy potencjału elektrochemicznego między fazami oscylatora z membraną ciekłą zawierającego bromek heksadecylotrimetyloamoniowy.Oscyllations of electrochemical potential difference between phases of liquid membrane oscillator containing heksadecyltrimethylammonium bromide.
PublikacjaBadano zmiany różnicy potencjału elektrochemicznego między fazami wodnymi oscylatora z membraną ciekłą zawierającego bromek heksadecylotrimetyloamoniowy przy zastosowaniu mikroelektrod Ag/AgCl/Cl. Stwierdzono, iż główny udział do różnicy potencjału elektrochemicznego między fazami wodnymi, wnoszą różnice potencjału między odpowiednią faza wodną i membraną ciekłą. Wartości obliczone z poszczególnych składowych są w bardzo dobrej...
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Exsolution of Ni nanoparticles on the surface of cerium and nickel co-doped lanthanum strontium titanate as a new anodic layer for DIR-SOFC. Anti-coking potential and H2S poisoning resistance of the prepared material
PublikacjaThe aim of this study was to evaluate a new catalytic material for biogas fueled DIR-SOFC. This material was a perovskite-type SrTiO3 doped with La, Ce and Ni of a general formula La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-σ (LSCNT). Additional preparation steps were undertaken to promote a nickel exsolution process. Heat post-treatment of powders in a humidified H2 resulted in an intensive growth of nickel nanoparticles (NPs) while the temperature...
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Organisational culture and change management in courts, based on the examples of the Gdańsk area courts
PublikacjaABSTRAKT Background. Courts are by definition bureaucratic, hierarchical organisations, epitomised by low levels of networking potential, which basically lack mechanisms of information exchange, or those of sharing information both at the level of the organisation of the justice system (the macro scale) and within a given court (the micro scale). Research aims. The aims of this article was implementing modern management methods...
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Police stress: The role of professional and organizational demands on burnout
PublikacjaJob demands - resources - empirical study in police officers
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Global Competitiveness and Economic Growth: A One-Way or Two-Way Relationship?
PublikacjaThe Global Competitiveness Index is treated as a standard to measure the competitiveness of countries. Leaders look at it to make policy and resource allocation decisions because global competitiveness is expected to be related to economic growth. However, studies which analyze the empirical relationship between these two economic categories are very rare. It is still an open question in the literature whether economic growth can...
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Influence of biochar produced from negative pressure-induced carbonization on transformation of potentially toxic metal(loid)s concerning plant physiological characteristics in industrially contaminated soil
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Good sleep and exhausting work-efforts, burnout and insomnia in nursing profession
PublikacjaThe role of insomnia in burnout syndrome among nurses - empirical study
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Do positrons measure atomic and molecular diameters?
PublikacjaWe report on density functional calculations (DFT) of elastic integral scattering cross-sections for positron collisions with argon, krypton, nitrogen and methane. The long-range asymptotic polarization potential is described using higher-order terms going much beyond an induced dipole potential (−α / r 4) while the short-range interaction is modeled by two different forms of electron – positron correlation potential (Boroński-Nieminen...
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Chromatographic analysis of extracts isolated from different poplar species as potential inhibitors of enzymatic hydrolysis Analiza chromatograficzna substancji ekstrakcyjnych pozyskanych z różnych odmian topoli jako potencjalnych inhibitorów hydrolizy enzymatycznej
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Comparative Analysis of Developed Rainfall Intensity–Duration–Frequency Curves for Erbil with Other Iraqi Urban Areas
PublikacjaRainfall Intensity–Duration–Frequency (IDF) relationships are widely used in water infrastructure design and construction. IDF curves represent the relationship between rainfall intensity, duration, and frequency, and are obtained by analyzing observed data. These relationships are critical for the safe design of flood protection structures, storm sewers, culverts, bridges, etc. In this study, the IDF curves and empirical IDF formulas...
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New technologies and diffusion of innovative financial products: Evidence on exchange-traded funds in selected emerging and developed economies
PublikacjaExchange-traded funds (ETFs) are one of the most rapidly-expanding categories of innovative financial products that have been introduced on many financial markets, in both emerging and developed economies. Our research contributes to the present state of knowledge by examining factors, including information and communication technologies (ICTs), influencing the diffusion of ETFs. In our research, we consider also the impact of...
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Physics-Based Coarse-Grained Modeling in Bio- and Nanochemistry
PublikacjaCoarse-grained approaches, in which groups of atoms are represented by single interaction sites, are very important in biological and materials sciences because they enable us to cover the size- and time-scales by several orders of magnitude larger than those available all-atom simulations, while largely keeping the details of the systems studied. The coarse-grained approaches differ by the scheme of reduction and by the origin...
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Path Loss Modelling in the Untypical Outdoor Propagation Environments
PublikacjaIn the paper three ways of path loss modelling in the untypical outdoor environments are presented. The exemplary untypical outdoor environment is analyzed. The investigated environment is characterized, and the measurement campaign are shortly described. The following models have been analyzed: the COST231 Walfisch-Ikegami model, the modified COST231Walfisch-Ikegami model tuned on the basis of empirical data, and the empirical...
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Antecedents to Achieve Kanban Optimum Benefits in Software Companies
PublikacjaIn 2004, Kanban successfully entered into the Agile and Lean realm. Since then software companies have been increasingly using it in software development teams. The goal of this study is to perform an empirical investigation on antecedents considered as important for achieving optimum benefits of Kanban use and to discuss the practical implications of the findings. We conducted an online survey with software professionals from...
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Synthesis, molecular structure, and metabolic stability of new series of N' -(2-alkylthio-4-chloro-5-methylbenzenesulfonyl)-1-(5-phenyl-1 H -pyrazol-1-yl)amidine as potential anti-cancer agents
PublikacjaA series of new N'-(2-alkylthio-4-chloro-5-methylbenzenesulfonyl)-1-(5-phenyl-1H-pyrazol-1-yl)amidine derivatives have been synthesized and evaluated in vitro by MTT assays for their antiproliferative activity against cell lines of colon cancer HCT-116, cervical cancer HeLa and breast cancer MCF-7. The studied compounds display selective activity mainly against HCT-116 and HeLa cells. Thus, five compounds show selective cytotoxic...
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The evolving structure of Polish exports (1994-2010) - diversification of products and trade partners.
PublikacjaThis paper presents empirical evidence on the diversification process concerning Polish exports (1994–2010), compared to European and global samples of countries. It analyzes both the commodity structure of Polish trade and the geographical diversification of Poland’s trading partners. The analysis draws on highly disaggregated data on exports (HS 6 digit) and combines descriptive analysis with non-parametric, semi-parametric and...
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Nano-engineered diamond-based materials for supercapacitor electrodes: A review
PublikacjaOwing to the popularity of carbon-based supercapacitors, diamond has also been examined as a potential candidate with unique advantages such as a wide electrochemical potential window and stable capacitive behavior in both aqueous and non-aqueous electrolytes. Moreover, its chemical stability in harsh environments at extreme applied potential and current provides rare opportunities for designing new supercapacitors. Owing to the...
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President and Manager of the court versus networking in justice system - "Extending of Delimitation"
PublikacjaCurrent knowledge and empirical studies concering the networks collaboration in public sector, the role of decision-making centre in the building of network structure, strategy formulation and evaluation is fragmentary.
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Application of advanced spectroscopic methods in the assessment of the leachability degree of hazardous elements from the matrix of cellular concretea
PublikacjaDue to its structure, autoclaved cellular concrete exhibits good insulating properties with relatively high compressive strength values. It is increasingly used in construction because of its economic attractiveness. Autoclaved cellular concrete is mainly used in interior structure layers, and therefore its potential exposure to heavy metal leaching from the matrix may be related to the presence of a high pH medium from other materials...
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China’s international trade and global value chains under One-Belt One-Road initiative
PublikacjaResearch background: After China acceded to the WTO in 2001, its foreign trade has expanded rapidly to be the largest share in the world. However, China's economic development changing from high-speed growth to medium high-speed growth in recent years. At the same time, the increase in labour cost and overcapacity also hinder China’s international trade. In order to solve these challenges and strengthening ties...
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The Knowledge Transfer From Headquarter to Local Subsidiaries Through Expatriates - Local Employees’ Perspective
PublikacjaBackground. Knowledge transfer between the HQ and subsidiary has recently been targets of increasing research interest. However, the role of expatriate managers and local staff perspective on this process has not been examined enough. Research aims. This paper has two main objectives: first to develop a conceptual framework (model) of knowledge transfer between the headquarters and local subsidiary, and second to empirically evaluate...
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The influence of polarization of titania nanotubes modified by a hybrid system made of a conducting polymer PEDOT and Prussian Blue redox network on the Raman spectroscopy response and photoelectrochemical properties
PublikacjaIn this work we show the impact of applied potential on network vibrations and photoelectrochemical properties of a composite material containing hydrogenated titania nanotubes and poly (3,4-ethylenedioxythiophene) with iron hexacyanoferrate (H-TiO2/pEDOT:Fehcf) acting as a redox centre. For this purpose, Raman spectroscopy measurements under the working electrode (WE) polarization were carried out, allowing investigation of changes...
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A. Computational analysis by molecular docking of thirty alkaloid compounds from medicinal plants as potent inhibitors of SARS-CoV-2 main protease(2020). Focused on analysis of the Medicinal plants that have potential therapeutic ability against COVID-19.
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Numerical analysis of pile installation effects in cohesive soils
PublikacjaIn this thesis the empirical equation for radial effective stress calculation after displacement pile installation and following consolidation phase has been proposed. The equation is based on the numerical studies performed with Updated Lagrangian, Arbitrary Lagrangian-Eulerian and Coupled Eulerian-Lagrangian formulations as well as the calibration procedure with database containing world-wide 30 pile static loading tests in cohesive...
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Mechanical Properties of Twisted Carbon Nanotube Bundles with Carbon Linkers from Molecular Dynamics Simulations
PublikacjaThe manufacturing of high-modulus, high-strength fibers is of paramount importance for real-world, high-end applications. In this respect, carbon nanotubes represent the ideal candidates for realizing such fibers. However, their remarkable mechanical performance is difficult to bring up to the macroscale, due to the low load transfer within the fiber. A strategy to increase such load transfer is the introduction of chemical linkers...
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Activity-based payments: alternative (anonymous) online payment model
PublikacjaElectronic payments are the cornerstone of web-based commerce. A steady decrease in cash usage has been observed, while various digital payment technologies are taking over. They process sensitive personal information raising concerns about its potentially illicit usage. Several payment models that confront this challenge have been proposed. They offer varying levels of anonymity and readiness for adoption. The aim of this study...
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CFD analysis of fluid flow through the labyrinth seal
PublikacjaSteam and gas turbines are some of the fundamental means of power generation. The energy efficiency of the turbines, however, is not satisfactory. Ever since the start-up of the first turbine in the world, engineers have been striving for their increased efficiency. Multiple solutions to the problem of steam loss in an operating turbine are available. The use of seals is one of them. Empirical methods or numerical calculations...
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Entrepreneurship in Virtual Economy: the Case of Currency One SA
PublikacjaPurpose: The scientific purpose of the study is an attempted synthesis of interpretation of “the virtual economy” and “the virtual environment” in the Polish and foreign literature on the subject. The cognitive purpose thereof is to offer an identification and a qualitative analysis of the factors that determine the development of e-entrepreneurship using an example of business practice. Methodology: The theoretical basis of the...
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Enhancing Economic Development Through ICT-Based Governance: Evidence for Developing Countries
Publikacjahis shows novel empirical evidence on how e-government solutions enhance the emergence of inclusive societies, increase institutional quality, and through that channels dynamize economic development in developing countries. With this aim we examine digital development inequalities adopting 2 core ICT indicators: mobile cellular telephony and Internet users; and gross per capita income and Human Development Index to show the level...
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POTENTIAL APPLICATIONS OF ELECTRONIC NOSE BASED ON ULTRA FAST GAS CHROMATOGRAPHY TO DISTINGUISH ALCOHOLIC BEVERAGES MADE OF GRAIN = POTENCJALNE MOŻLIWOŚCI ZASTOSOWANIA ELEKTRONICZNEGO NOSA OPARTEGO NA ULTRA SZYBKIEJ CHROMATOGRAFII GAZOWEJ DO ODRÓŻNIANIA NAPOJÓW SPIRYTUSOWYCH POCHODZENIA ZBOŻOWEGO
PublikacjaStan środowiska a zwłaszcza powietrza ma wpływ na wiele aspektów życia, m in. na jakość produktów spożywczych. Z tego względu niezwykle ważne jest monitorowanie stanu środowiska, które odbywa się za pomocą wielu technik analitycznych. Jedną z nich jest elektroniczny nos. Pierwotnie elektroniczny nos był wykorzystywany tylko do badania uciążliwości zapachowej powietrza. Obecnie technika ta wykorzystywana jest również do monitorowania...
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Tetracycline and ampicillin resistance of Escherichia coli strains of surface water origin: the potential for horizontal transfer of resistance genes = Oporność na tetracyklinę i ampicylinę szczepów Escherichia Coli wyizolowanych z wody powierzchniowej : możliwość horyzontalnego przenoszenia genów oporności
PublikacjaThe aim of this preliminary study was to assess the occurrence and molecular diversity of tetracycline and ampicillin resistance genes carried by Escherichia coli present in surface water. Bacterial strains were isolated from two watercourses (the Reda River and the Oliwski Stream) that influence the quality of coastal waters in the Gdańsk Bay (Northern Poland) by direct discharge. The bacterial drug susceptibility, tested against...
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The convergence of gender wage differences - myth or fact - multi country multi sector analysis
PublikacjaThe Becker’s theory of discrimination predicts that in the long run the gender wage differences should disappear. In our empirical analysis we verify the testable implications of this mode considering the hypothesis of gender wage gap convergence. The study takes into account 31 sectors in 13 European countries for the period between 1970 and 2005. We distinguish between wages paid to different groups of workers classified according...
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Study of the electrochemical stability of polypyrrole coating on iron in sodium salicylate aqueous solution
PublikacjaIn this work electrochemical stability of optimized PPy film on iron in aqueous solution of sodium salicylate is studied. The main drawback of conducting polymers is their possibility to undergo an irreversible degradation (overoxidation). The overoxidized polymers lose their properties, for example, conductivity and redox activity, what excludes them from some practical applications. This study demonstrates that lowering the concentration...
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CUTTING POWER FORECASTING WHILE WOOD SAWING: FRACTURE MECHANICS APPROACH AND AXELSSON’S MODEL COMPARISON
PublikacjaIn the classical approach, energetic effects (cutting forces and cutting power) of wood sawing process are generally calculated on the basis of the specific cutting resistance, which is in the case of wood cutting the function of more or less important factors. On the other hand, cutting forces (power) could be considered from a point of view of modern fracture mechanics. Another way is to forecast cutting power consumption on...
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Determinants of the Internationalization of Family Firms - a Structural Eqquation Modeling Analysis
PublikacjaCurrently, international behaviors of family businesses (FBs) attract a growing interest of researchers. In an increasingly competitive environment, numerous FBs are forced to expand into foreign markets in search for ways to survive or grow. The article is both theoretical and empirical. In the theoretical part it presents theoretical concepts of FBs internationalization, especially determinants for their going international....
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The analysis of firms’ involvement in internationalisation and determinants of its intensity – an analysis for developing and post-transition economies
PublikacjaThe study presents the empirical analysis of firms’ involvement in different forms of internationalisation: export, indirect export, import, indirect import and finally simultaneous exporting and importing. The analysis is based on firm-level data from the World Bank Enterprise Survey (March 2017 release). The empirical part is divided into two stages. Firstly account is taken of firms’ heterogeneity and then a Melitz type analysis...
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Technology transfer centers as an instrument for the development of technological capabilities
PublikacjaPurpose of the article is to show how technology transfer centers (TTCs) can affect the development of technological capabilities as a result of cooperation between the science and business sectors on the example of Polish experiences in this field. Scientific aims: The first scientific aim was to present the role of TTCs in the development of technological capabilities. The second scientific aim was to discuss the research results...
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Review of Selected Methods for Prediction of Added Resistance in Following Waves
PublikacjaThe added resistance in waves is a mean value of non-linear, second order reaction of a ship to incoming waves. In the beginning of the 20th century, the experimental methods for investigation of ship hydrodynamics at model scale were developed. They allowed the evaluation of added resistance by measurements in irregular waves (directly) or by measurements in regular waves (in-direct method). The main goal was to find more precise...