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Wyniki wyszukiwania dla: biomolecular interactions
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Chemoinformatics Methods for Studying Biomolecules
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Optimized configuration interaction approach for trapped multiparticle systems interacting via contact forces
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The POCOBIO Database for Computed Scattering Cross-Sections for Positron Collisions with Biomolecular Systems
PublikacjaThe design of a database for positron interactions with biomolecular systems is outlined. The database contains only scattering cross sections, which are derived from theory. The data model is defined in a very flexible way, which facilitates the usage of weakly bound clusters of molecules and molecular systems with many tautomeric forms.
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Dependence of bimolecular recombination rate constant on different experimental parameters
PublikacjaZ otrzymanych wzorów analitycznych oraz przeprowadzonych obliczeń numerycznych wynika, że dla wysokich natężeń pola elektrycznego stała szybkości rekombinacji bimolekularnej jest funkcją zewnętrznego pola elektrycznego oraz koncentracji nośników ładunku. Szczególnie interesujący jest wynik dotyczący obniżania się stałej szybkości rekombinacji wraz ze wzrostem natężenia pola elektrycznego, który różni się zupełnie od przewidywań...
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Exactly solvable model of two trapped quantum particles interacting via finite-range soft-core interactions
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The Role of Electrostatics in Enzymes: Do Biomolecular Force Fields Reflect Protein Electric Fields?
PublikacjaPreorganization of large, directionally oriented, electric fields inside protein active sites has been proposed as a crucial contributor to catalytic mechanism in many enzymes, and it may be efficiently investigated at the atomistic level with molecular dynamics simulations. Here, we evaluate the ability of the AMOEBA polarizable force field, as well as the additive Amber ff14SB and Charmm C36m models, to describe the electric...
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Bimolecular excited species in optical emission from organic electroluminescent devices
PublikacjaW pracy dokonano przeglądu dwu-molekularnych stanów wzbudzonych emitujących światło (ekscymery, ekscypleksy, elektromery, elektropleksy) w organicznych diodach EL
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Dependence of the charge carries photogeneration yield on the bimolecular recombination in tetracene layers
PublikacjaBadano mechanizmy generacji nośników ładunku dwóch znaków w warstwie tetracenu. Rezultaty pomiarów doświadczalnych oraz prowadzona analiza wykazały, że rekombinacja wpływa znacząco na produkcję nośników ujemnych.
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Interactions with recognized objects
PublikacjaImplicit interaction combined with object recognition techniques opens a new possibility for gathering data and analyzing user behavior for activity and context recognition. The electronic eyewear platform, eGlasses, is being developed, as an integrated and autonomous system to provide interactions with smart environment. In this paper we present a method for the interactions with the recognized objects that can be used for electronic...
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Generalization of the elastic network model for the study of large conformational changes in biomolecules
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Radiation damage of biomolecular systems: Nano-scale insights into Ion-beam cancer therapy. 2nd Nano-IBCT conference
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Interactions of antitumor triazoloacridinones with DNA
PublikacjaW niniejszej pracy zbadano oddziaływanie sześciu wybranych pochodnych triazoloakrydonu z DNA. Analiza wiskozymetryczna pokazała, że związki te interkalują do DNA. Jednocześnie dalsze badania wykazały, że proces interkalacji nie jest istotny aktywności cytotoksycznej tej grupy związków. Badania z wykorzystaniem fibroblastów dowiodły, że jedna z pochodnych triazoloakrydonu, związek C-1305, po uprzedniej metabolicznej aktywacji indukuje...
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Interactions of Quinones with Thioredoxin Reductase
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Structure and Interactions in Chitosan Composites
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Intercultural interactions in multinational subsidiaries
PublikacjaPurpose - Our aim is to show how individuals perceive the quality of intercultural interactions at work in multinational subsidiaries, and to address the question of what actually prevails in their accounts, i.e. ‘the dark side’ or ‘the bright side’. Design/methodology/approach - We report the findings from five subsidiaries located in Poland and interviews with 68 employees of these companies. Findings - The ‘bright side’ dominated...
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Individual Resources and Intercultural Interactions
PublikacjaThe work environment in multinational corporations (MNCs) is specific and demanding including intercultural interactions with co-workers and clients and using a foreign language. Some individual resources can help in dealing with these circumstances. Individual resources refer to personal dispositions, competencies and prior experiences. With regard to previous studies, a caravan of personal resources, namely Psychological Capital...
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Interactions of positrons with atoms and molecules
PublikacjaThe positron is the antiparticle of the electron. It has the same mass as the electron, but opposite charge. The understanding of the interactions of positrons with normal matter, like atoms and molecules, is of interest in various scientific fields, like nuclear medicine, plasma physics and astronomy. In this talk we will give a short introduction to some theoretical methods to describe the interactions of positrons with atoms...
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Calculations of electron impact ionization cross section for simple biomolecules: formic and acetic acids
PublikacjaObliczono przekroje czynne na jednokrotną jonizację kwasu mrówkowego oraz kwasu octowego. Obliczenia przeprowadzono używając formalizmu BEB w zakresie energii od progu na jonizację do 400 eV. Wyniki porównano z dostępnymi danymi doświadczalnymi.
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Vasopressin V2 receptor/bioligand interactions
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Biomolecular influenza virus detection based on the electrochemical impedance spectroscopy using the nanocrystalline boron-doped diamond electrodes with covalently bound antibodies
PublikacjaNew rapid pathogen detection methods with improved cost-effectiveness and efficiency are currently in the focus of the scientists from all over the world. Based on the experiences from the rapid spread of the influenza virus pandemic in 2009 it is clear that the development of the system for early diagnosis of this infection is essential. The crucial stage of the treatment is the detection of the viral infection during its initial...
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Molecular Dynamics to Predict Cryo-EM: Capturing Transitions and Short-Lived Conformational States of Biomolecules
PublikacjaSingle-particle cryogenic electron microscopy (cryo-EM) has revolutionized the field of the structural biology, providing an access to the atomic resolution structures of large biomolecular complexes in their near-native environment. Today’s cryo-EM maps can frequently reach the atomic-level resolution, while often containing a range of resolutions, with conformationally variable regions obtained at 6 Å or worse. Low resolution...
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Interaction Design in Agile IT Projects
PublikacjaIn recent years, interactive systems, such as various types of software, online services or mobile applications, have become an integral part of everyday life. Interactive systems and digital services should be easy to use and provide a positive User Experience (UX). For this reason, interaction design has recently emerged as a distinct professional area of information technology (IT). Easy interaction and user experience (UX)...
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Excition interactions in emitters of organic electroluminescent diodes
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Stress-opioid interactions: a comparison of morphine and methadone
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Molecular basis of TRF proteins and their interactions with peptides
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Water Interactions with Hydrophobic versus Hydrophilic Nanosilica
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Most Frequent Organic Interactions Compressed in Toluene
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Changes in the speed of ants as a result of aggressive interactions
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Cellular Interactions in the Intestinal Stem Cell Niche
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Interactions with recognized patients using smart glasses
PublikacjaRecently, different smart glasses solutions have been proposed on the market. The rapid development of this wearable technology has led to several research projects related to applications of smart glasses in healthcare. In this paper we propose a general architecture of the system enabling data integration for the recognized person. In the proposed system smart glasses integrates data obtained for the recognized patient from health...
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Interactions using passive optical proximity detector
PublikacjaIn this paper we evaluated the possible application of a passive, optical sensor as an interface for human-smart glasses interactions. The designed proximity sensor is composed of set of photodiodes and the appropriate hardware and software components. First, experiments were performed for the estimations of such parameters as distance to an object, its width and velocity. Achieved results were satisfactory. Therefore, next, a...
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Optoelectronic investigation of nanodiamond interactions with human blood
PublikacjaWe present optoelectronic investigation of in vitro interactions of whole human blood with different nanodiamond biomarkers. Plasmo-chemical modifications of detonation nanodiamond particles gives the possibility for controlling their surface for biological applications. Optical investigations reveal the biological activity of nanodiamonds in blood dependent on its surface termination. We compare different types of nanodiamonds:...
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Discovering interactions between applications with log analysis
PublikacjaApplication logs record the behavior of a system during its runtime and their analysis can provide useful information. In this article, we propose a method of automated log analysis to discover interactions taking place between applications in an enterprise. We believe that such an automated approach can greatly support enterprise architects in building an up-to-date view of a governed system in a modern, fast-paced development...
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Chalcogen bonding interactions in a series of aromatic selenocyanates
PublikacjaSelenium atoms in aromatic selenocyanates are characterized by the occurrence of two σ-holes, a stronger one in the prolongation of the NC–Se bond and a weaker one in the prolongation of the Ar–Se bond. The crystal structures of several bis(selenocyanato) derivatives, prepared by a method originally developed for ortho bis-substituted derivatives, illustrate very well this difference, with a short NC–Se⋯NC ChB interaction organizing...
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Singlet exciton interactions in solid films of Alq3.
PublikacjaW pracy tej na podstawie pomiarów zależności wydajności fluorescencji od natężenia światła wzbudzjącego, wyznaczono stałą oddziaływania ekscyton singletowy - ekscyton singletowy w warstwie organicznego kompleksu aluminium Alq3.
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Application of Aqueous Biphasic Systems Extraction in Various Biomolecules Separation and Purification: Advancements Brought by Quaternary Systems
PublikacjaAqueous biphasic systems (ABS) extraction is a simple, selective, efficient and easy to scale-up technology that, over the years, has attracted a considerable attention from the researcher community as an alternative methodology in downstream processing of a wide variety of biomolecules. This review summarizes and discusses the fundamental features of ABS, as well as its advantages and disadvantages, as a separation and purification...
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Oxidation, Glycation, and Carbamylation of Salivary Biomolecules in Healthy Children, Adults, and the Elderly: Can Saliva Be Used in the Assessment of Aging?
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User-System Interaction Design in IT Projects
PublikacjaMonografia omawia główne wymagania dla interfejsu użytkownika oraz przedstawia przegląd metod przydatnych do projektowania interakcji użytkownik-system, jak i do organizowania współpracy z użytkownikami w projektach informatycznych. Znaczną część monografii poświęcono zagadnieniom projektowania koncepcyjnego oraz testowania i oceny powstających rozwiązań. Szczególne miejsce zajmują różne techniki prototypownia oraz zasady prowadzenia...
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Interaction of Novel Ionic Liquids with Soils
PublikacjaWith the constant development of new ionic liquids, the understanding of the chemical fate of these compounds also needs to be updated. To this effect, in this contribution, the interaction of a number of novel ionic liquids with soils was determined. Therefore, three novel headgroups (ammonium, phosphonium or pyrrolidinium) with single or quaternary substitution were tested on a variety of soils with high to low organic matter...
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Streamvise vortex interaction with a horseshoe vortex.
PublikacjaPrzedstawiono analizę numeryczną dotyczącą możliwości oddziaływania wirami wzdłużnymi na strukturę wirów podkowiastych. Wykonano obliczenia opływu ciała symetrycznego w ramach modelu trójwymiarowego. Wykazano, że dla różnie zlokalizowanych wydmuchów czynnika, stanowiących generatory wirów wzdłużnych, uzyskuje się zasadniczo różny wpływ na strukturę przepływu. Uzyskane wyniki wskazują na możliwość kontrolowania przepływów wtórnych...
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Streamwise vortex interaction with a horseshoe vortex.
PublikacjaPrzedstawiono próbę oddziaływania wiru wzdłużnego na wir podkowiasty. Wir wzdłużny uzyskano dzięki generatorom powietrznym typu ''jet'' czyli poprzez wydmuch czynnika przez otwory przed opływanym ciałem. Wykazano, że oddziaływanie to może doprowadzić do zmiany struktury przepływu i dezintegrację wiru podkowiastego.
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Barriers of cross-cultural interactions according to the research findings
PublikacjaThe aims of this article are to label major cultural barriers and to present results of empirical findings referring to barriers to intercultural interactions in foreign subsidiaries of transnational corporations (TNCs). The qualitative research was conducted in TNCs'foreign subsidiaries operating in Poland in winter 2009/2010. The article describes how respondents perceive the problems in cooperation with foreigners, their sources,...
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Empirical investigation on labour market interactions in an enlarged Europe
PublikacjaThis paper proposes an empirical assessment of economic interactions between the labour markets ofthe integrating EU over the period of time 1995-2005. Drawing on recently made available industrystatistics, we provide a sector level study (13 tradable sectors, including manufacturing and services),analysing the contemporary evolution of domestic and trade partners' employment levels. Given theintensification of trade relations...
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Defining the Genetic Basis of Plant–Endophytic Bacteria Interactions
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Model equations for interactions of hydrated species in transmembrane transport
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Lipid-protein interactions in membranes: a molecular modelling study
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Barriers of Cross-cultural Interactions According to the Research Findings
PublikacjaThe aim of this article is to label major cultural barriers and to present results of empiricalfindings referring to barriers to intercultural interactions in foreign subsidiaries oftransnational corporations (TNCs). The qualitative research was conducted in TNCs'foreign subsidiaries operating in Poland in the winter of 2009/2010. The articledescribes how the respondents perceived the problems in cooperation with foreigners,defines...
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Thermodynamics aspects of interactions between acridine derivatives and DNA
PublikacjaDNA is a molecular target for many anticancer and antiviral drugs. Therefore, a clear understanding of the interaction of small molecules with DNA is important in the rational design of ligands that can bind to DNA with high affinity and selectivity. There are several methods to investigate interactions between drug and DNA. Some of them measure changing into DNA structures, such as lengthening and untwisting of helix of DNA. Other...
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Interactions of Chromium Ions with Starch Granules in an Aqueous Environment
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Conformational changes of peptidoglycan fragments during their interactions with vancomycin
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