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Wyniki wyszukiwania dla: Intermolecular%20interactions
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The equations for interactions of polarization modes in optical fibres including the kerr effect
PublikacjaWe have derived coupled nonlinear Schro¨ dinger equations (CNLSE) for arbitrary polarized light propagation in a single-mode fibre employing electromagnetic field complete description. We used a basis of transverse eigenmodes with appropriate projecting; hence, the nonlinear constants depend on the waveguide geometry. Accounting for a weak nonlinearity, which is connected to the Kerr effect, we have given explicit expressions for...
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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
PublikacjaFibroin–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...
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Triple helical collagen-like peptide interactions with selected polyphenolic compounds
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Interactions of newly synthesized platinum nanoparticles with ICR-191 and their potential application
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Temperature-dependent interactions in the chitosan/cyclosporine A system at liquid–air interface
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Interactions of amphotericin B derivatives with lipid membranes - a molecular dynamics study
PublikacjaW 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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Triplet exciton interactions in solid films of an elektrophosphorescent Pt(II) porphyrin
PublikacjaW pracy pokazano, że fosforescencja porfiryny platynowej (PtOEP) jest wygaszana na skutek oddziaływania między monomerowymi i dimerowymi ekscytonami trypletowymi. Stała oddziaływania dla monomerowych ekscytonów trypletowych wynosi 8x10-12 cm3/s a dla ekscytonów dimerowych 8x10-15 cm3/s.
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Interactions between river catchments and the coastal zone: the EuroCat-VisCat Project
PublikacjaW pracy przedstawiono: założenia oraz schemat organizacyjny projektu finansowanego przez Wspólnotę Europejską (EuroCat); program badań projektu VisCat realizowanego przez zespoły z UMK oraz PG. Omówiono również prace związane z tworzeniem bazy danych nt. stanu rzeki Wisły i Zatoki Gdańskiej.
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Plant–soil interactions in soil organic carbon sequestration as a restoration tool
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Possible Formation of H3O+ Cations Due to Aluminum Fluoride Interactions with Water
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Interplay of hydrogen bonding and aryl-perfluoroaryl interactions in construction of supramolecular aggregates
PublikacjaThe stacking between aryl and perfluoroaryl units is an important class of the aromatic – aromatic interactions that has attracted rapidly growing interest in recent years. Continuing interest of our group in this subject it had been prepared three new complexes of pentafluorobenzoic acid with benzyl alcohol, 4-methylbenzyl alcohol and 4-tert-butylbenzyl alcohol and in the next step investigated their self-assembly modes by...
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Phytochemical parasite-host relations and interactions: A Cistanche armena case study
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Analysis of odor interactions in ternary gas mixtures using electronic nose
PublikacjaIn recent years there has been a noticeable increase in interest in the use of electronic noses in analytical chemistry. These devices perform a holistic analysis of the gas mixtures composition, without the separation and identification of its individual components. For this reason e-noses are increasingly replacing the conventional olfactometers, due to the significantly shorter analysis time and possible automation. In the work...
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NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
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Correlation between the Reactivity and Spectroscopic Properties of N-Substituted Secondary Thioamides. New Intramolecular N• •H+• •N Binding Approach and Proton Complexes Based on Thioamide Ligation
PublikacjaFrom a comparison of chem. shifts and wavenumbers of several secondary thioamides and amides having monocationic substituents attached to thiocarbamoyl or carbamoyl groups by a polymethylene chain, new intramol. unconventional N···H+···N H bonding effects were discovered. It is argued that the CH2-N rotation is hindered and two +H···NHMe nonequiv. protons occur in a proton spectrum of hydrochloride RCH2C(S)NH(CH2)3NHMe-HCl...
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Formation of Protein Networks between Mucins: Molecular Dynamics Study Based on the Interaction Energy of the System
PublikacjaMolecular dynamics simulations have been performed for a model aqueous solution of mucin. As mucin is a central part of lubricin, a key component of synovial fluid, we investigate its ability to form cross-linked networks. Such network formation could be of major importance for the viscoelastic properties of the soft-matter system and crucial for understanding the lubrication mechanism in articular cartilage. Thus,the inter- and...
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Analyzing and Visualizing Government-Citizen Interactions on Twitter to Support Public Policy-making
PublikacjaTwitter is widely adopted by governments to communicate with citizens. It has become a major source of data for analyzing how governments communicate with citizens and how citizens respond to such communication, uncovering important insights about government-citizen interactions that could be used to support public policy-making. This article presents research that aims at developing a software tool called Twitter Analytics for...
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Analysis of hull, propeller and engine interactions in regular waves by a combination of experiment and simulation
PublikacjaAnalysis of hull, propeller and engine interactions in regular waves by a combination of experiment and simulation
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Dysfunctional prefrontal cortical network activity and interactions following cannabinoid receptor activation.
PublikacjaCoordinated activity spanning anatomically distributed neuronal networks underpins cognition and mediates limbic-cortical interactions during learning, memory, and decision-making. We used CP55940, a potent agonist of brain cannabinoid receptors known to disrupt coordinated activity in hippocampus, to investigate the roles of network oscillations during hippocampal and medial prefrontal cortical (mPFC) interactions in rats. During...
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Hot spot identification by ligand-protein surface interactions mapping – in silico study
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Study of the Interactions between Neurophysin II and Dipeptide Ligand by Means of Molecular Dynamics
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Theoretical Study on Interactions of Bicyclic Vasopressin Analogues with Human Neurohypophyseal Hormone Receptors
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Structural Insights into σ1 Receptor Interactions with Opioid Ligands by Molecular Dynamics Simulations
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Interactions of Bacteriophages with Animal and Human Organisms—Safety Issues in the Light of Phage Therapy
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Quasi-one-dimensional exchange interactions and short-range magnetic correlations in CuTeO4
PublikacjaCuTeO4 has been proposed as a crystallographically distinct, yet electronic structure analog, of the superconducting cuprates. Here, we present a detailed characterization of the physical properties of CuTeO4 to address this proposal. Fitting of magnetic susceptibility data indicates unexpected quasi-one-dimensional, antiferromagnetic correlations at high temperature, with a nearest-neighbor Heisenberg exchange of 1=164(5) K....
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How water mediates the long-range interactions between remote protein molecules
PublikacjaThe high crowding of macromolecules in the cytoplasm affects the processes that occur inside a living cell. It can, for example, promote the forming of various loosely connected structures of proteins. It also means that bulk water is, essentially, not present there. The relatively thin layer of solvent that separates macromolecules may be able to participate in the long-range interactions between them and make them respond to...
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Evidence for interactions between homocysteine and genistein: insights into stroke risk and potential treatment
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Interactions of dissolved dsDNA with intercalating drug by anodic voltammetry and spectroscopy. Influence of pH
PublikacjaOddziaływanie związku przeciwnowotworowego C-1305 z DNA było badane przy pomocy impulsowej voltametrii różnicowej oraz spektroskopii UV/Vis. Triazoloakrydon C-1305 oddziałuje z DNA na dwóch drogach: przez interkalacje pomiedzy pary zasad oraz przez wiązanie sie w małym rowku helisy. W fizjologicznym pH (7,4) stałe wiązania wynoszą: K1=3,36E+5 i K2=0,18E+5 [1/M] a wielkość miejsca wiązania: n1=2,5 i n2=4,0, odpowiednio dla pierwszego...
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Water-mediated long-range interactions between the internal vibrations of remote proteins
PublikacjaIt is generally acknowledged that the mobility of protein atoms and the mobility of water molecules in the solvation layer are connected. In this article, we answer the question whether a similar interdependence exists between the motions of atoms of proteins separated by the hydration layers of variable thickness. The system consisted of a kinesin catalytic domain and a tubulin dimer. It was studied using molecular dynamics simulations....
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Methods for Elucidation of DNA-Anticancer Drug Interactions and Their Applications in the Development of New Drugs
PublikacjaDNA damaging agents including anthracyclines, camptothecins and platinum drugs are among most frequently used drugs in the chemotherapeutic routine. Due to their relatively low selectivity for cancer cells, administration is associated with adverse side effects, whereas the inherent genotoxicity of these drugs is associated with risk of developing secondary cancers. Development of new drugs, which could be spared of these drawbacks...
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Pilicides effectively hinder chaperone-usher interactions in all Gram-negative bacteria
PublikacjaThe chaperone-usher pathway of adhesive structures biogenesis is highly conserved in all Gram-negative bacteria. Pili are polymers of thousands protein subunits that possess conserved immunoglobuline-like structure denoted by lack of the seventh G strand. The effect of this structural defect is a hydrophobic acceptor cleft. The folding of protein subunits is strictly dependent on the action of specific periplasmic chaperone protein...
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Determination of Odour Interactions of Three-Component Gas Mixtures Using an Electronic Nose
PublikacjaThe paper presents an application of an electronic nose prototype comprised of six TGS-type sensors and one PID-type sensor to identify odour interaction phenomena in odorous three-component mixtures. The investigation encompassed eight odorous mixtures—toluene-acetone-triethylamine and formaldehyde-butyric acid-pinene — characterized by different odour intensity and hedonic tone. A principal component regression (PCR) calibration...
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Role of the Solvation Water in Remote Interactions of Hyperactive Antifreeze Proteins with the Surface of Ice
PublikacjaMost protein molecules do not adsorb onto ice, one of the exceptions being so-called antifreeze proteins. In this paper, we describe that there is a force pushing an antifreeze protein molecule away from the ice surface when it is not oriented with its ice-binding plane toward the ice and that this pushing force may be also present even when the protein is oriented with its ice-binding plane toward the ice. This force is absent...
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Fluorescence of nanodiamond cocktails: pH-induced effects through interactions with comestible liquids
PublikacjaFluorescent nanodiamonds with nitrogen-vacancy centers have become important nanoscale probes for sensing and imaging. The surface chemistry of the nanodiamonds influences their emission, interactions, and quantum properties. In this work, we propose to utilize fluorescent nanodiamonds as photostable markers for investigation of comestible liquids. We prepared nanodiamond/comestibles suspensions/cocktails with a wide range of pH...
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Phosphorescence response to excitonic interactions in Ir organic complex-based electrophosporescent emitters
PublikacjaSpadek kwantowej wydajności fosforescencji ze wzrostem natężenia światła wzbudzajacego w Ir(ppy)3 tworzącym 100% warstwę naparowaną próżniowo oraz w Ir(ppy)3 umieszczonym w matrycy polimerowej PC:TPD, jest wywołany odziaływaniami między ekscytonami trypletowymi. Stała oddziaływania tryplet-tryplet wynosi (1-3)x 10-12 cm3/s i tylko nieznacznie zależy od stężenia Ir(ppy)3 w warstwie.
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MIC/MBC values of the investigated extracts of propolis. Interactions of selected extracts with azoles and echinocandins.
Dane BadawczeThis dataset contains results of our investigation aiming in determination of antimicrobial potential of the propolis extracts produced in our laboratory. The propolis samples were delivered by Polish beekeepers. Moreover in this dataset we presented results of our investigation aiming in assessment of interaction of the selected extracts of propolis...
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Propensity of salicylamide and ethenzamide cocrystallization with aromatic carboxylic acids
PublikacjaThe cocrystallization of salicylamide (2-hydroxybenzamide, SMD) and ethenzamide (2-ethoxybenzamide, EMD) with aromatic carboxylic acids was examined both experimentally and theoretically. The supramolecular synthesis taking advantage of the droplet evaporative crystallization (DEC) technique was combined with powder diffraction and vibrational spectroscopy as the analytical tools. This led to identification of eleven new cocrystals...
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Cooperativity of Halogen- and Chalcogen-Bonding Interactions in the Self-Assembly of 4‑Iodoethynyl- and 4,7-Bis(iodoethynyl)benzo-2,1,3-chalcogenadiazoles: Crystal Structures, Hirshfeld Surface Analyses, and Crystal Lattice Energy Calculations
PublikacjaSeveral new 4-iodoethynyl- and 4,7-bis- (iodoethynyl)benzo-2,1,3-chalcogenadiazoles were prepared, and a comprehensive analysis of the most prominent secondary bonding interactions responsible for the crystal self-assembly was performed using X-ray diffraction. The presence of both the iodoethynyl and chalcogenadiazole moieties allows an evaluation of the preference of these molecules to aggregate through either chalcogen- or halogen-bonding...
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Analysis of odour interactions in model gas mixtures using electronic nose and fuzzy logic
PublikacjaMeasurement and monitoring of air quality in terms of odour nuisance is an important problem. Although the source of these nuisances is different (e.g. wastewater treatment plants, municipal landfills), their common feature is that they are a complex mixture of odorants with different odour thresholds. An additional problem is occurrence of the odour interactions between mixture components. From a practical point of view, it would...
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Double-Blind Reputation vs. Intelligent Fake VIP Attacks in Cloud-Assisted Interactions
PublikacjaWe consider a generic model of Client-Server interactions in the presence of Sender and Relay, conceptual agents acting on behalf of Client and Server, respectively, and modeling cloud service providers in the envisaged "QoS as a Service paradigm". Client generates objects which Sender tags with demanded QoS level, whereas Relay assigns the QoS level to be provided at Server. To verify an object's right to a QoS level, Relay detects...
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A Data Driven Model for Predicting RNA-Protein Interactions based on Gradient Boosting Machine
PublikacjaRNA protein interactions (RPI) play a pivotal role in the regulation of various biological processes. Experimental validation of RPI has been time-consuming, paving the way for computational prediction methods. The major limiting factor of these methods has been the accuracy and confidence of the predictions, and our in-house experiments show that they fail to accurately predict RPI involving short RNA sequences such as TERRA RNA....
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Quantitative fluorescent determination of DNA – Ochratoxin a interactions supported by nitrogen-vacancy rich nanodiamonds
PublikacjaOchratoxin A (OTA) is a hazardous contaminant of a large variety of plant and animal originated food. Herein, we report an interaction of OTA with calf thymus DNA (ct DNA) on the nanodiamond surface. We employed multispectroscopic techniques to elucidate the binding mechanism of OTA with ct DNA. The fluorescence and UV–Vis spectroscopy results show that OTA binds to ds ct DNA and forms complexes. We obtained the binding constants...
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The importance of diurnal and nocturnal activity and interspecific interactions for space use by ants in clear-cuts
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Is the Identification of SNP-miRNA Interactions Supporting the Prediction of Human Lymphocyte Transcriptional Radiation Responses?
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A Data Driven Model for Predicting RNA-Protein Interactions based on Gradient Boosting Machine
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Influence of the substituent on amide nitrogen atom of N-acetyl tyrosine on interactions with β-cyclodextrin
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The role of the LB structural loop and its interactions with the PDZ domain of the human HtrA3 protease
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Effect of chitosan on the interactions between phospholipid DOPC, cyclosporine A and lauryl gallate in the Langmuir monolayers
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Electroanalytical and spectroscopic procedures for examination of interactions between double stranded DNA and intercalating drugs
PublikacjaPrzedstawiono metodę elektrochemicznego opisu oddziaływań dsDNA ze związkiem biologicznie czynnym w warunkach, w których zarówno badany związek jak i cząsteczka DNA są w roztworze elektrolitu. Opracowano warunki pomiaru, gdzie ani związek, ani DNA nie adsorbuje na elektrodzie. Wykazano, podobnie jak podczas badania innymi metodami, że oddziaływania są dwojakiego rodzaju: elektrostatyczne i poporzez interkalację.