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Wyniki wyszukiwania dla: HALOGEN INTERACTION
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Interactions of protons with furan molecules studied by collision-induced emission spectroscopy at the incident energy range of 50–1000 eV
PublikacjaInvestigations of the ion-molecule reactions provide insight into many fields ranging from the stellar wind interaction with interstellar media, up to medicine and industrial applications. Besides the applications, the understanding of these processes is itself a problem of fundamental importance. Thus, interactions of protons with the gas-phase furan molecules have been investigated for the first time in the energy range of 50–1000...
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The impact of interactions between polyphenolic antioxidants on the redox-related chemical and biological properties of their mixtures – the extension of food synergy concept.
PublikacjaThe results of studies indicate that chemopreventive efficiency of isolated phytochemicals is lower than that of polyphenol-rich foods. This discrepancy has been ascribed to the food synergy concept that assumes additive or even synergistic influence of different food ingredients on human health. The results presented in the dissertation made it possible to propose an alternative and innovative explanation of these observations. The...
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Discussion on “Dynamic soil-structure interaction: A three-dimensional numerical approach and its application to the Lotung case study”. Poor performance of the HSS model
PublikacjaThe Hardening Soil Small (HSS) is a constitutive model being extension to the well established Hardening Soil Model (HS) accounting for the nonlinearity of small strain stiffness. It is implemented in commercial finite element computer codes for geotechnical analyses and used widely in research and design. The article deals with a problem known as overshooting after very small load reversals. It induces much higher stiffness than...
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Least absolute shrinkage and selection operator and dimensionality reduction techniques in quantitative structure retention relationship modeling of retention in hydrophilic interaction liquid chromatography
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The interaction between cuticle free fatty acids (FFAs) of the cockroaches Blattella germanica and Blatta orientalis and hydrolases produced by the entomopathogenic fungus Conidiobolus coronatus
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Influence of amino acid sequence on the interaction of short peptides containing 3-[2-(9-anthryl)benzoxazol-5-yl]-alanine with β-cyclodextrin
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Microwave plasma treatment of simulated biomass syngas: Interactions between the permanent syngas compounds and their influence on the model tar compound conversion
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Novel Cell Permeable Polymers of N-Substituted L-2,3-Diaminopropionic Acid (DAPEGs) and Cellular Consequences of Their Interactions with Nucleic Acids
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublikacjaThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Noncentrosymmetric Triangular Magnet CaMnTeO6: Strong Quantum Fluctuations and Role of s0 versus s2 Electronic States in Competing Exchange Interactions
PublikacjaNoncentrosymmetric triangular magnets offer a unique platform for realizing strong quantum fluctuations. However, designing these quantum materials remains an open challenge attributable to a knowledge gap in the tunability of competing exchange interactions at the atomic level. Here, a new noncentrosymmetric triangular S = 3/2 magnet CaMnTeO6 is created based on careful chemical and physical considerations. The model material...
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Biochar-mediated transformation of titanium dioxide nanoparticles concerning TiO2NPs-biochar interactions, plant traits and tissue accumulation to cell translocation
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π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex
PublikacjaThe synthesis and characterization of a mixed metal ruthenium(II)/gold(III) complex bridged by tetrapyridophenazine (tpphz) are described. It is isostructural and isoelectronic to the well-known photocatalysts with palladium(II) or platinum(II). Concentration dependent 1H-NMR spectroscopy and XRD studies show that the electrostatic repulsion between the gold(III) moieties exceeds the attractive π-stacking interaction. Theoretical...
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Long range molecular dynamics study of interactions of the eukaryotic glucosamine-6-phosphate synthase with fructose-6-phosphate and UDP-GlcNAc
PublikacjaGlucosamine-6-phosphate synthase (EC 2.6.1.16) is responsible for catalysis of the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5 diphospho Nacetyl- d-glucosamine (UDP-GlcNAc), is an essential substrate for assembly of bacterial and fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which...
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Exactly solvable model of two interacting Rydberg-dressed atoms confined in a two-dimensional harmonic trap
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The Economic Dimension of Using the Integration of Highway Sound Screens with Solar Panels in the Process of Generating Green Energy
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Automatic Adjustment of Integration Time in the NIR Camera for Calibrated Temperature Measurement during Inductive Heating Processes
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Integration of electric vehicle into smart grid: a meta heuristic algorithm for energy management between V2G and G2V
PublikacjaRecently, Electric Vehicles (EV) have been providing fast response and substantial progress in the power generation model. Further, EVs are exploited as adaptable Energy Storage Systems (ESSs) and show a promising performance in ancillary service markets to increase the demand of Smart Grid (SG) integration. The expansion of Vehicle-to-Grid concept has created an extra power source when renewable energy sources are not available....
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Market Size, Competitiveness and Technological Frontier - the Impact of Trade Integration with the UE on Productivity in Polish Manufacturing Sectors
PublikacjaThis paper addresses the relationship between growth of relative productivity in Polish manufacturing sectors and forces stemming from trade integration with the EU. We look at the productivity growth from the perspective of relations between Polish manufacturing sectors and the foreign ones, focusing on partner countries from the enlarged EU. Empirical analysis is based on sector level bilateral data concerning both domestic (Polish)...
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Multimodal learning application with interactive animated character. [Multimodalna aplikacja edukacyjna wykorzystująca interaktywną animowaną postać]
PublikacjaThe aim of this study is to design a computer application that may assist teachers and therapists in multimodal manner in their work with impaired or disabled children. The application can be operated in many different ways, giving to a child with special educational needs a possibility to learn and train many skills or treat speech disorders. The main stress in this research is on the creation of animated character that will serve...
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A comprehensive review of biogeochemical distribution and fractionation of lead isotopes for source tracing in distinct interactive environmental compartments
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Cross-layer integration of network mechanisms for increasing efficiency of multimedia session support in IEEE 802.11s environment
PublikacjaWith an IEEE 802.11 wireless networks operating in Point-to-Multipoint mode being the most popular WLAN access technology employed today, it can be expected that a Wireless Mesh Network (WMN) based on the technology can provide significant advantages for such network systems. The IEEE 802.11s standard amendment provides the comprehensive set of mechanisms required to implement and deploy a WMN utilizing this widely popular technology....
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Are stabilizing osmolytes preferentially excluded from the protein surface? FTIR and MD studies
PublikacjaInteractions between osmolytes and hen egg white lysozyme in aqueous solutions were studied by means of FTIR spectroscopy and molecular dynamics. A combination of difference spectra method and chemometric analysis of spectroscopic data was used to determine the number of osmolyte molecules interacting with the protein, and the preferential interaction coefficient in presented systems. Both osmolytes – L-proline and trimethylamine-N-oxide...
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Initial performance evaluation of a high resolution Albira small animal positron emission tomography scanner with monolithic crystals and depth-of-interaction encoding from a user's perspective
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Comparison of hydrophilic interaction and reversed phase liquid chromatography coupled with tandem mass spectrometry for the determination of eight artificial sweeteners and common steviol glycosides in popular beverages
PublikacjaHydrophilic interaction liquid chromatography (HILIC) coupled with tandem mass spectrometry (MS/MS) was used to separate artificial and natural sweeteners approved for use in European Union (EU). Among three tested HILIC columns (BlueOrchid PAL-HILIC, Ascentis Express Si and Acclaim™ Trinity™ P2) the last one was selected for the development of HILIC method due to the best results obtained with it. Early eluting and coeluting compounds...
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Dipole-bound anions supported by charge-transfer interaction: Anionic states of HnF3?nN ? BH3 and H3N ? BHnF3?n (n = 0, 1, 2, 3)
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Simple Physics-Based Analytical Formulas for the Potentials of Mean Force for the Interaction of Amino Acid Side Chains in Water. IV. Pairs of Different Hydrophobic Side Chains
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Coupled Urban Areas Inundation Model with Interaction Between Storm Water System and Surface Flow - Case Study of Sea Level Impact on Seaside Areas Flooding
PublikacjaInundations are becoming more frequent than ever. What is connected with increasing area of impervious surface in cities. This makes predicting urban flooding and its scale especially important. At the seaside we observe additional conditions such as sea level that makes accurate numerical modelling of issue even harder. With complex approach to the matter which is simultaneous calculation of storm water conduit flow and overland...
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Mutual Interaction between Temperature and DO Set Point on AOB and NOB Activity during Shortcut Nitrification in a Sequencing Batch Reactor in Terms of Energy Consumption Optimization
PublikacjaRecently, many wastewater treatment plants (WWTPs) have had to deal with serious problems related to the restrictive requirements regarding the euent quality, as well as significant energy consumption associated with it. In this situation, mainstream deammonification and/or shortened nitrification-denitrification via nitrite (so-called “nitrite shunt”) is a new promising strategy. This study shows the mechanisms and operating conditions...
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Extracting functional groups of ALLINI to design derivatives of FDA‐approved drugs: Inhibition of HIV‐1 integrase
PublikacjaHIV‐1 integrase (IN) is crucial for integration of viral DNA into the host genome and a promising target in development of antiretroviral inhibitors. In this work, six new compounds were designed by linking the structures of two different class of HIV‐1 IN inhibitors (active site binders and allosteric IN inhibitors (ALLINIs)). Among newly designed compounds, INRAT10b was found most potent HIV‐1 IN inhibitor considering different...
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Interactions of N-alkyl-N-methylmorpholinium based ionic liquids with acetonitrile studied by density and velocity of sound measurements and molecular dynamics simulations
PublikacjaMorpholinium-based ionic liquids (ILs) and their mixtures with polar co-solvents are an interesting class of emerging electrolytes in electrochemistry that is relatively poorly studied. In this work, densities and sound velocities of four ILs, N-ethyl-N-methylmorpholinium tetrafluoroborate, N-butyl-N-methylmorpholinium tetrafluoroborate, N-octyl-N-methylmorpho-linium tetrafluoroborate and N-decyl-N-methylmorpholinium tetrafluoroborate...
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Interactions between Marek’s disease virus Rispens/CVI988 vaccine strain and adenovirus field strain in chicken embryo fibroblast (CEF) cultures
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Analysis of interactions responsible for vasopressin binding to human neurohypophyseal hormone receptors—molecular dynamics study of the activated receptor–vasopressin–Gα systems
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Formation of Secondary and Supersecondary Structure of Proteins as a Result of Coupling Between Local and Backbone-Electrostatic Interactions: A View Through Cluster-Cumulant Scope
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Spectroscopic studies on physicochemical properties of selected unsymmetrical bisacridine derivatives and NMR analysis of their interactions with the model sequence Pu22 aided by molecular dynamics
PublikacjaIn recent years, new promising acridine derivatives have appeared, belonging to the unsymmetrical bisacridines (UAs) family with high anticancer activity. Both their physicochemical properties and their mechanism of action at the molecular level have not been thoroughly analyzed so far. Four derivatives were selected for the study, termed as: C-2028, C-2041, C-2045 and C-2053. The first aim of this work was to determine the protonation...
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Current understanding of the effects of inspiratory resistance on the interactions between systemic blood pressure, cerebral perfusion, intracranial pressure, and cerebrospinal fluid dynamics
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Tweet you right back: Follower anxiety predicts leader anxiety in social media interactions during the SARS-CoV-2 pandemic
PublikacjaRecent research has shown that organizational leaders’ tweets can influence employee anxiety. In this study, we turn the table and examine whether the same can be said about followers’ tweets. Based on emotional contagion and a dataset of 108 leaders and 178 followers across 50 organizations, we infer and track state- and trait-anxiety scores of participants over 316 days, including pre- and post the onset of the SARS-CoV-2 pandemic...
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Extending Continuous Integration with Post-mortem Debug Automation of Unhandled Exceptions Occurred in Kernel or User Mode Applications
PublikacjaThe paper proposes extension of the Continuous Integration practices with debug automation of unhandled exceptions. Goal of this improvement is to reduce the amount of redundant work when inspecting hundreds of failed tests from possibly the same reason, and to decrease time necessary to provide a fix to the codebase. The suitable CI infrastructure is proposed and an automatic method how to eliminate duplicated bugs is discussed....
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Integration of Multi-Source Geospatial Data from GNSS Receivers, Terrestrial Laser Scanners, and Unmanned Aerial Vehicles
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A roadmap for a comprehensive control of cervical cancer in Poland: integration of available solutions into current practice in primary and secondary prevention
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Temperature measurement using NIR camera with automatic adjustment of integration time for monitoring high-temperature industrial processes
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Modeling two phase flow in large scale fractured porous media with an extended multiple interacting continua method
PublikacjaWe present a two phase flow conceptual model, the corresponding simulator (2pMINC) and a workflow for large-scale fractured reservoirs, based on a continuum fracture approach which uses the multiple interacting continua (MINC) method complemented with an improved upscaling technique. The complex transient behavior of the flow processes in fractured porous media is captured by subgridding the coarse blocks in nested volume elements...
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Interactive information and decision support system for urban and industrial air quality management based on multi-agent system
PublikacjaThis article presents conception of interactive information and decision support system for urban and industrial air quality management. The emphasis of the project is on real-time analysis and multi-media information, and the support of distributed and mobile clients through the Internet. The approach integrates meteorological data and forecasts, air quality and emission monitoring, dynamic 3D simulation modelling and forecasting,...
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Interactive effects of vanadium and phosphorus on their uptake, growth and heat shock proteins in chickpea genotypes under hydroponic conditions
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<title>Broadband optical-Internet-based modular interactive information system for research department in university environment</title>
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Broadband, optical Internet-based, modular, interactive information system for research deptartment in university environment: part II
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The metabolic profiles of pterin compounds as potential biomarkers of bladder cancer—Integration of analytical-based approach with biostatistical methodology
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Selecting cost-effective risk control option for advanced maritime operations; Integration of STPA-BN-Influence diagram
PublikacjaAdvanced maritime operations, such as remote pilotage, are vulnerable to new emergent risks due to increased system complexity and a multitude of interactions. Thus, maritime researchers this decade have combined Systems-Theoretic Process Analysis (STPA) and Bayesian Network (BN) to effectively manage these risks. Although these methods are effective in identifying hazards and analyzing risk levels, none of the STPA-BN studies...
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Techno-economic evaluation of combined cycle gas turbine and a diabatic compressed air energy storage integration concept
PublikacjaMore and more operational flexibility is required from conventional power plants due to the increasing share of weather-dependent renewable energy sources (RES) generation in the power system. One way to increase power plant’s flexibility is integrating it with energy storage. The energy storage facility can be used to minimize ramping or shutdowns and therefore should lower overall generating costs and CO2 emissions. In this article,...
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Integration of Multi-Source Geospatial Data from GNSS Receivers, Terrestrial Laser Scanners, and Unmanned Aerial Vehicles
PublikacjaThe analysis based on geospatial data from different measurement systems now constitutes a complex numerical and practical enterprise. The dynamic development of modern technologies enables rapid and precise acquisition of such data. Nonetheless, the diversity of reference systems is today one of the main challenges for their correct interpretation. The combined use of the processed measurement results and archival data in paper...
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ortho-Fluorobenzanilides and ortho-fluorothiobenzanilides: Molecular conformations and crystal packing
PublikacjaSeries of 2-fluoro and 2,6-difluorobenzanilides and their thiobenzanilide analogs have been synthesized to investigate the influence of the fluorine atom on their crystal structures and self-assembly in the crystal lattice. The X-ray analysis of the single crystal revealed that the synthesized molecules adopt a geometry being deflected from planarity. The deflection was investigated by analysis of dihedral angles between mean planes...