Search results for: Intermolecular%20interactions
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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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Excition interactions in emitters of organic electroluminescent diodes
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Cellular Interactions in the Intestinal Stem Cell Niche
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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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Singlet exciton interactions in solid films of Alq3.
PublicationW 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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Optoelectronic investigation of nanodiamond interactions with human blood
PublicationWe 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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Interactions using passive optical proximity detector
PublicationIn 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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Interactions with recognized patients using smart glasses
PublicationRecently, 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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Chalcogen bonding interactions in a series of aromatic selenocyanates
PublicationSelenium 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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Discovering interactions between applications with log analysis
PublicationApplication 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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Diphosphinoboranes as Intramolecular Frustrated Lewis Pairs: P–B–P Bond Systems for the Activation of Dihydrogen, Carbon Dioxide, and Phenyl Isocyanate
PublicationHerein, we present the first example of the activation of small molecules by P-B-P bond systems. The reactivity study involves reactions of two selected diphosphinoboranes, (tBu2P)2BPh (1’) and (Cy2P)2BNiPr2 (2), that differ in terms of their structural and electronic properties for the activation of dihydrogen, carbon dioxide, and phenyl isocyanate. Diphosphinoborane 1’ activates H2 under very mild conditions in the absence of...
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Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea
Publication1-Benzoylthioureas contain both carbonyl and thiocarbonyl functional groups and are of interest for their biological activity, metal coordination ability and involvement in hydrogen-bond formation. Two novel 1-benzoylthiourea derivatives, namely 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea, C₁₆H₁₆N₂O₃S, (I), and 1-benzoyl-3-(2-hydroxypropyl)thiourea, C₁₁H₁₄N₂O₂S, (II), have been synthesized and characterized. Compound (I) crystallizes...
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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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Defining the Genetic Basis of Plant–Endophytic Bacteria Interactions
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Thermodynamics aspects of interactions between acridine derivatives and DNA
PublicationDNA 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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Empirical investigation on labour market interactions in an enlarged Europe
PublicationThis 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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Role of Oligosaccharide Chain Polarity in Protein–Glycosaminoglycan Interactions
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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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Influence of local electron interactions on phonon spectrum in iron
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Low-energy interactions related to atmospheric and extreme conditions
PublicationThis Topical Issue, entitled “Low-Energy Interactions Related to Atmospheric and Extreme Conditions”, showcases a collection of eighteen articles that reported recent theoretical and experimental findings pertaining to the following topics: – low-energy interactions of charged particles (electrons [1–7], protons [8], positrons [9]), and photons [10] with atoms and molecules of biological [1–4,7,8], astrochemical [10], industrial,...
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Intercultural interactions at multinational corporations' workplace: Grounded theory.
Publicationenvironments is a new challenge for employees and managers. The aim of the paper is to analyze the social interactions in multicultural environments of multinational corporations (MNCs) as well as to propose a model of intercultural social interactions in MNCs’ specifi c context. Design/methodology/approach: The grounded theory approach was applied to create a model of intercultural interactions in MNCs. The data was obtained during...
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Barriers of Cross-cultural Interactions According to the Research Findings
PublicationThe 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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Barriers of cross-cultural interactions according to the research findings
PublicationThe 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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Septic safe interactions with smart glasses in health care
PublicationIn this paper, septic safe methods of interaction with smart glasses, due to the health care environment applications consideration, are presented. The main focus is on capabilities of an optical, proximity-based gesture sensor and eye-tracker input systems. The design of both interfaces is being adapted to the open smart glasses platform that is being developed under the eGlasses project. Preliminary results obtained from the...
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Role of the Synergistic Interactions of Environmental Pollutants in the Development of Cancer
PublicationThere is a growing awareness that the large number of environmental pollutants we are exposed to on a daily basis are causing major health problems. Compared to traditional studies that focus on individual pollutants, there are relatively few studies on how pollutants mixtures interact. Several studies have reported a relationship between environmental pollutants and the development of cancer, even when pollutant levels are below...
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Intramolecular Proton Transfer in the Radical Anion of Cytidine Monophosphate Sheds Light on the Sensitivities of Dry vs Wet DNA to Electron Attachment-Induced Damage
PublicationSingle-strand breaks (SSBs) induced via electron attachment were previously observed in dry DNA under ultrahigh vacuum (UHV), while hydrated electrons were found not able to induce this DNA damage in an aqueous solution. To explain these findings, crossed electron-molecular beam (CEMB) and anion photoelectron spectroscopy (aPES) experiments coupled to density functional theory (DFT) modeling were used to demonstrate the fundamental...
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FT-IR studies of molecular interactions in formamide-methanol mixtures
PublicationTechniką ATR zmierzono widma FT-IR roztworów metanolu(MeOH) i formamidu(FA) w całym zakresie ich składu. Przeprowadzono analizę faktorową widm, która wykazała obecność dwóch kompleksów molekularnych matanolu z formamidem. Na podstawie profilów stężeniowych indywiduów absorbujących wyznaczono średni skład kompleksów w zależności od składu mieszaniny. Przeprowadzono również analizę pasma CO formamidu metodą widm różnicowych. Wyniki...
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Influence of hydrophobization of fumed oxides on interactions with polar and nonpolar adsorbates
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Membrane structure and interactions of peptide hormones with model lipid bilayers
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Supramolecular Interactions between β-Cyclodextrin and the Nucleobase Derivatives of Ferrocene
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Molecular dynamics-based model of VEGF-A and its heparin interactions
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Raman spectroscopic study of Ni2+-DNA interactions in aqueous systems
PublicationMetodą ramanowskich widm różnicowych określono sposób oddziaływania jonu Ni2+ z DNA(CT) w układach wodnych. Kation Ni(II) koordynuje w pozycjach N7 guaniny (G) i adeniny (A) w powtarzających się sekwencjach GG, AA i GA cząsteczki DNA. Jednocześnie Ni2+ oddziałuje zewnątrz sferowo poprzez cząsteczki wody z grupami fosforanowymi DNA.
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Human-computer interactions in speech therapy using a blowing interface
PublicationIn this paper we present a new human-computer interface for the quantitative measurement of blowing activities. The interface can measure the air flow and air pressure during the blowing activity. The measured values are stored and used to control the state of the graphical objects in the graphical user interface. In speech therapy children will find easier to play attractive therapeutic games than to perform repetitive and tedious,...
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Interactions of selected mono- and disaccharides with precipitated calcium carbonate particles
PublicationCalcium carbonate is a widespread compound in nature and it can be produced by living organisms in the biomineralization process. Calcite, aragonite and vaterite are anhydrous polymorphic forms of calcium carbonate, wherein the calcite is the most thermodynamically stable. Vaterite is the metastable crystalline phase, which can be a precursor of calcite and aragonite, because it can easily transformed by dissolution and re crystallization...
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Electron interactions with Bis(pentamethylcyclopentadienyl) titanium(IV) dichloride and difluoride
PublicationWe present a combined experimental and theoretical study of the interaction of electrons with Bis(pentamethylcyclopentadienyl)titanium(IV) dichloride (Cp∗2TiCl2) and difluoride (Cp∗2TiF2). We report the experimental measurements of partial cross sections for the dissociative electron attachment (DEA) and the electron ionization (EI) mass spectra of isolated molecules. Estimates of the absolute cross sections are done on the basis...
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Profile irregularities of turned surfaces as a result of machine tool interactions
PublicationThe paper describes the influence of the machining operation on a surface, which disturbs the projection of the tool profile in the form of its relative movements with respect to the object. The elements of the machine tool undergo constant wear during the machining process, it is therefore important to recognize the effects of their influence on the surface's irregularities. Amplitude-frequency analysis of lateral profiles has...
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In silico approaches for better understanding cysteine cathepsin-glycosaminoglycan interactions
PublicationCysteine cathepsins constitute the largest cathepsin family, with 11 proteases in human that are present primarily within acidic endosomal and lysosomal compartments. They are involved in the turnover of intracellular and extracellular proteins. They are synthesized as inactive procathepsins that are converted to mature active forms. Cathepsins play important roles in physiological and pathological processes and, therefore, receive...
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Charge Distribution and Hyperfine Interactions in GdBa2Cu3O7 from First Principles
PublicationW rozdziale przedstawiono wyniki obliczeń "z zasad pierwszych" (''ab initio'') struktury elektronowej, rozkładu ładunku i struktury nadsubtelnej, w szczególności gradientu pola elektrycznego (EFG) i składnika kontaktowego pola nadsubtelnego (HFF), nadprzewodnika wysokotemperaturowego o wzorze GdBa2Cu3O7 (Gd123). Do obliczeń wykorzystano metodę FP-LAPW (full-potential linearized augmented plane wave). Efekty związane z oddziaływaniami...
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DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
PublicationInteractions between a solvent and their co-solute molecules in solutions of peptides are crucial for their stability and structure. The K-peptide is a synthetic fragment of a larger hen egg white lysozyme protein that is believed to be able to aggregate into amyloid structures. In this study, a complex experimental and theoretical approach is applied to study systems comprising the peptide, water, and two co-solutes: trimethylamide...
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Interactions: Ege Journal of British and American Studies
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Anthrozoos; A Multidisciplinary Journal of the Interactions of People and Animals
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Effects of Coulomb Interactions Between Fermions on Superconductivity in Boson-Fermion Model
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Interactions of amphotericin B derivatives with lipid membranes - a molecular dynamics study
PublicationW pracy analizowano oddziaływanie dwóch nisko-toksycznych pochodnych amfoterycyny B (związki SAmE i PAmE) z modelami błon lipidowych. Badania wykonane zostały za pomocą dynamiki molekularnej. Modele błon oprócz fosfolipidów DMPC zawierały odpowiednio cholesterol (model błony zwierzęcej) lub ertosterol (model błony grzybowej). Analiza wyników wykazała, że obie pochodne amfoterycyny B zachowują się inaczej w błonie cholesterolowej...
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Albumin–Hyaluronan Interactions: Influence of Ionic Composition Probed by Molecular Dynamics
PublicationThe lubrication mechanism in synovial fluid and joints is not yet fully understood. Nevertheless, intermolecular interactions between various neutral and ionic species including large macromolecular systems and simple inorganic ions are the key to understanding the excellent lubrication performance. An important tool for characterizing the intermolecular forces and their structural consequences is molecular dynamics. Albumin...
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Bonding interactions in oxydiacetate and thiodiacetate cobalt(II) and nickel(II) complexes
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Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study
PublicationFibroin–chitosan composites, especially those containing nanohydroxyapatite, show potential for bone tissue regeneration. The physicochemical properties of these biocomposites depend on the compatibility between their components. In this study, the intermolecular interactions of fibroin and chitosan were analyzed using a molecular dynamics approach. Two types of systems were investigated: one containing acetic acid and the other...