Search results for: coordination%20complexes
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Hardware-Software Implementation of Basic Principles Simulator of Nuclear Reactor Processes
PublicationThe paper presents implementation process of basic principle simulators of a nuclear reactor processes. Simulators are based on point-models of processes: kinetics of neutrons, heat generation and exchange, poisoning and burning-up nuclear fuel. Reference simulator was developed in MATLAB/Simulink without taking into account real-time operation. Second simulator was built using the toolbox xPC with hard real-time requirements....
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Scientific Collaboration, Citation and Topic Analysis of International Conference on Agile Software Development Papers
PublicationThe International Conference on Agile Software Development (XP) was established almost sixteen years ago. Based on data from Scopus database, a total of 789 papers have been published in between years of 2002 and 2018. We employed bibliometrics analysis and topic modeling with R/RStudio to analyze these published papers from various dimensions, including the most active authors, collaboration of authorship, most cited papers, used...
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Synthesis and characterization of ruthenium and rhenium dyes with phosphonate anchoring groups
PublicationRe(L1)–Re(L3), a series of rhenium(I) tricarbonyl chloride complexes with bpy-R2 derivatives L1–L3 (bpy = 2,2′-bipyridine, R represents the substitution at the 4- and 4′-positions), and their corresponding trishomoleptic Ru(L1)3–Ru(L3)3 as well as heteroleptic ruthenium(II) complexes Ru(tbbpy)2(L1) and Ru(tbbpy)2(L2) have been synthesized and characterized. Their applicability as immobilizable metal–organic chromophores in solar...
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Photophysical processes in the selected white organic light-emitting diodes
PublicationThe first part discusses history of organic emitters, the scope of the work, phenomena in molecular systems, types of architectures in OLEDs, types of OLEDs emitting white light with examples from the literaturę and a description of the parameters chcracterizing LEDs. The second part describes materials, production of the samples, the measurement systems and results. In chapter 8.1 the results for the OLEDs based on emission from...
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Krystian Zawadzki dr hab. inż.
PeopleKrystian Zawadzki is associate professor in the Department of Finance at the Faculty of Management and Economics of the Gdańsk University of Technology; member of the Polish Olympic Academy at the Polish Olympic Committee; coordinator of the Stock Exchange School (Warsaw Stock Exchange) in Gdańsk; Head of postgraduate studies "Capital Investments and Personal Finance Management"; member of the audit committee of the sports club...
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Invasive electrophysiological patient recordings from the human brain during memory tasks with pupilometry (MC_004)
Open Research DataData comprise intracranial EEG (iEEG) brain activity, including electrocorticography (ECoG) signals, recorded from over 100 electrodes implanted in one patient throughout various brain regions. These iEEG signals were recorded in epilepsy patients undergoing invasive monitoring and localization of seizures when they were performing a battery of four...
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Invasive electrophysiological patient recordings from the human brain during memory tasks with pupilometry (MC_005)
Open Research DataData comprise intracranial EEG (iEEG) brain activity, including electrocorticography (ECoG) signals, recorded from over 100 electrodes implanted in one patient throughout various brain regions. These iEEG signals were recorded in epilepsy patients undergoing invasive monitoring and localization of seizures when they were performing a battery of four...
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Invasive electrophysiological patient recordings from the human brain during memory tasks with pupilometry (MC_0010)
Open Research DataData comprise intracranial EEG (iEEG) brain activity, including electrocorticography (ECoG) signals, recorded from over 100 electrodes implanted in one patient throughout various brain regions. These iEEG signals were recorded in epilepsy patients undergoing invasive monitoring and localization of seizures when they were performing a battery of four...
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Invasive electrophysiological patient recordings from the human brain during memory tasks with pupilometry (MC_002)
Open Research DataData comprise intracranial EEG (iEEG) brain activity, including electrocorticography (ECoG) signals, recorded from over 100 electrodes implanted in one patient throughout various brain regions. These iEEG signals were recorded in epilepsy patients undergoing invasive monitoring and localization of seizures when they were performing a battery of four...
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Invasive electrophysiological patient recordings from the human brain during memory tasks with pupilometry (MC_0012)
Open Research DataData comprise intracranial EEG (iEEG) brain activity, including electrocorticography (ECoG) signals, recorded from over 100 electrodes implanted in one patient throughout various brain regions. These iEEG signals were recorded in epilepsy patients undergoing invasive monitoring and localization of seizures when they were performing a battery of four...
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Invasive electrophysiological patient recordings from the human brain during memory tasks with pupilometry (MC_008)
Open Research DataData comprise intracranial EEG (iEEG) brain activity, including electrocorticography (ECoG) signals, recorded from over 100 electrodes implanted in one patient throughout various brain regions. These iEEG signals were recorded in epilepsy patients undergoing invasive monitoring and localization of seizures when they were performing a battery of four...
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Invasive electrophysiological patient recordings from the human brain during memory tasks with pupilometry (MC_003)
Open Research DataData comprise intracranial EEG (iEEG) brain activity, including electrocorticography (ECoG) signals, recorded from over 100 electrodes implanted in one patient throughout various brain regions. These iEEG signals were recorded in epilepsy patients undergoing invasive monitoring and localization of seizures when they were performing a battery of four...
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Invasive electrophysiological patient recordings from the human brain during memory tasks with pupilometry (MC_007)
Open Research DataData comprise intracranial EEG (iEEG) brain activity, including electrocorticography (ECoG) signals, recorded from over 100 electrodes implanted in one patient throughout various brain regions. These iEEG signals were recorded in epilepsy patients undergoing invasive monitoring and localization of seizures when they were performing a battery of four...
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Invasive electrophysiological patient recordings from the human brain during memory tasks with pupilometry (MC_006)
Open Research DataData comprise intracranial EEG (iEEG) brain activity, including electrocorticography (ECoG) signals, recorded from over 100 electrodes implanted in one patient throughout various brain regions. These iEEG signals were recorded in epilepsy patients undergoing invasive monitoring and localization of seizures when they were performing a battery of four...
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Invasive electrophysiological patient recordings from the human brain during memory tasks with pupilometry (MC_0011)
Open Research DataData comprise intracranial EEG (iEEG) brain activity, including electrocorticography (ECoG) signals, recorded from over 100 electrodes implanted in one patient throughout various brain regions. These iEEG signals were recorded in epilepsy patients undergoing invasive monitoring and localization of seizures when they were performing a battery of four...
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Invasive electrophysiological patient recordings from the human brain during memory tasks with pupilometry (MC_009)
Open Research DataData comprise intracranial EEG (iEEG) brain activity, including electrocorticography (ECoG) signals, recorded from over 100 electrodes implanted in one patient throughout various brain regions. These iEEG signals were recorded in epilepsy patients undergoing invasive monitoring and localization of seizures when they were performing a battery of four...
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Invasive electrophysiological patient recordings from the human brain during memory tasks with pupilometry (MC_0017)
Open Research DataData comprise intracranial EEG (iEEG) brain activity, including electrocorticography (ECoG) signals, recorded from over 100 electrodes implanted in one patient throughout various brain regions. These iEEG signals were recorded in epilepsy patients undergoing invasive monitoring and localization of seizures when they were performing a battery of four...
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Invasive electrophysiological patient recordings from the human brain during memory tasks with pupilometry (MC_0021)
Open Research DataData comprise intracranial EEG (iEEG) brain activity, including electrocorticography (ECoG) signals, recorded from over 100 electrodes implanted in one patient throughout various brain regions. These iEEG signals were recorded in epilepsy patients undergoing invasive monitoring and localization of seizures when they were performing a battery of four...
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Invasive electrophysiological patient recordings from the human brain during memory tasks with pupilometry (MC_0020)
Open Research DataData comprise intracranial EEG (iEEG) brain activity, including electrocorticography (ECoG) signals, recorded from over 100 electrodes implanted in one patient throughout various brain regions. These iEEG signals were recorded in epilepsy patients undergoing invasive monitoring and localization of seizures when they were performing a battery of four...
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Invasive electrophysiological patient recordings from the human brain during memory tasks with pupilometry (MC_0019)
Open Research DataData comprise intracranial EEG (iEEG) brain activity, including electrocorticography (ECoG) signals, recorded from over 100 electrodes implanted in one patient throughout various brain regions. These iEEG signals were recorded in epilepsy patients undergoing invasive monitoring and localization of seizures when they were performing a battery of four...
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Invasive electrophysiological patient recordings from the human brain during memory tasks with pupilometry (MC_0024)
Open Research DataData comprise intracranial EEG (iEEG) brain activity, including electrocorticography (ECoG) signals, recorded from over 100 electrodes implanted in one patient throughout various brain regions. These iEEG signals were recorded in epilepsy patients undergoing invasive monitoring and localization of seizures when they were performing a battery of four...
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Invasive electrophysiological patient recordings from the human brain during memory tasks with pupilometry (MC_0023)
Open Research DataData comprise intracranial EEG (iEEG) brain activity, including electrocorticography (ECoG) signals, recorded from over 100 electrodes implanted in one patient throughout various brain regions. These iEEG signals were recorded in epilepsy patients undergoing invasive monitoring and localization of seizures when they were performing a battery of four...
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Hydrogen-bonded one-dimensional networks in 1:1 complexes of N,N`-bis(2-pi-rydyl)aryldiamines with anilic acid. Acta Cryst. Sect. C Crystal Struct.Commun.**2002 vol. 58 s. o735-o738, 4 rys. 4 tab. bibliogr. 15 poz. Jednowymiarowe sieci krystaliczne tworzone w wyniku oddziaływań wodorowych pomiędzy N,N`-bis(2-pirydylo)aryloaminami a kwasem anilowym.
PublicationOtrzymano związki kompleksowe kwasu anilowego z N,N`-bis(2-pirydylo)-1,4-diaminobenzenem oraz N,N`-bis(2-pirydylo)-4,4`-diaminobifenylem o stechiometrii1:1, a następnie przeprowadzono analizę rentgenograficzną monokryształów. Wobu przypadkach cząsteczki, wchodzące w skład kompleksu są powiązane ze sobąkonwencjonalnymi oddziaływaniami wodorowymi. Tym samym tworzy się jednowy-miarowa sieć krystaliczna z dziewięcioczłonowym pierścieniowym...
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Assessment of the factors influencing on the formation of energy-oriented modes of electric power consumption by water-drainage installations of the mines
PublicationPurpose. Performing the analysis to determine energy-efficient modes and assess the characteristics of the main indicators of electric power consumption by mine water-drainage installations based on the developed research mathematical model. Methods. To achieve the purpose set, a methodology is used to develop the multiple multifactor correlation-regression modeling with respect to the modes of electric power consumption by electrical...
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Delivery of Ancillary Services in Distribution Power Systems
PublicationOne of the technical and organizational challenges the power system faces in deregulated market conditions is to organize an ancillary services market. The growing share of distributed generation of variable (intermittent) energy sources and a change in the market position of consumers, causes the demand for distributed delivery of ancillary services. For this purpose, it is sought to use the ability of the regulatory measures:...
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Smart Weighing Scale with Feet-Sampled ECG
PublicationIn a smart home, health and well-being monitoring systems could be embedded in everyday devices providing a pervasive care. A home bathroom scale is an example of such a device, typically used to measure body weight and very often its composition (e.g. body water/fat percentage). In this paper, we analyzed a potential use of the bathroom scale to measure electrocardiogram (ECG) from electrodes located on the scale's tile. In particular...
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Effect of Ion and Binding Site on the Conformation of Chosen Glycosaminoglycans at the Albumin Surface
PublicationAlbumin is one of the major components of synovial fluid. Due to its negative surface charge, it plays an essential role in many physiological processes, including the ability to form molecular complexes. In addition, glycosaminoglycans such as hyaluronic acid and chondroitin sulfate are crucial components of synovial fluid involved in the boundary lubrication regime. This study presents the influence of Na+, Mg2+ and Ca2+ ions...
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Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals
PublicationGlobal reactivity descriptors of isopropyl acetate (IPA) and thermo-kinetic aspects of its oxidation via OH radicals have been studied. Transition state theory (TST) was utilized to estimate the bimolecular rate constants. Ten oxidation pathways have been investigated, and all of them are exothermic. The potential energy diagram has been sketched using different pre- and post-reactive complexes for all reaction pathways. Rate coefficient...
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BeesyBees: A mobile agent-based middleware for a reliable and secure execution of service-based workflow applications in BeesyCluster
PublicationIntegrating distributed services into workflows comes with its own set of challenges, including security, coordination, fault tolerance and optimisation of execution time. This paper presents an architecture and implementation - nicknamed BeesyBees - that allows distributed execution of workflow applications in BeesyCluster using agents. BeesyCluster is a middleware that allows users to access distributed resources as well as publish...
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Structure and properties of liquid Al–Cu alloys: Empirical potentials compared
PublicationWe report on the structure and mass transport properties of liquid Al–Cu alloys predicted by two recently-developed empirical many-body potentials: MEAM (Jelinek et al., 2012) and EAM-ADP (Apostol and Mishin, 2011), and by the well-known Gupta potential. Total and partial pair correlation functions, angular distribution functions, densities, coordination numbers and self-diffusion coefficients are compared with published experimental...
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Computational Study of Molecular Interactions in ZnCl2(urea)2 Crystals as Precursors for Deep Eutectic Solvents
PublicationDeep eutectic solvents (DESs) are now enjoying an increased scientific interest due to their interesting properties and growing range of possible applications. Computational methods are at the forefront of deciphering their structure and dynamics. Type IV DESs, composed of metal chloride and a hydrogen bond donor, are among the less studied systems when it comes to their understanding at a molecular level. An important example...
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Concentration‐Induced Hetero‐Valent Partial‐Inverse Occupation of Infrared Phosphor
PublicationInfrared luminescent materials have evoked much attention from chemists and material scientists. Although substantial progress is made in materials design, the luminescent mechanism remains ambiguous in the complex structures, presenting major barriers to developing novel infrared luminescent materials. Herein, this study aims to deliberate a complete discussion on infrared phosphors with concentration-induced hetero-valent partial-inverse...
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Digital Transformation and Its Influence on Sustainable Manufacturing and Business Practices
PublicationThe paper focuses on the relationship between businesses and digital transformation, and how digital transformation has changed manufacturing in several ways. Aspects like Cloud Computing, vertical and horizontal integration, data communication, and the internet have contributed to sustainable manufacturing by decentralizing supply chains. In addition, digital transformation inventions such as predictive analysis and big data analytics...
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Induction of chirality in 4,4'-azopyridine by halogen-bonding interaction with optically active ditopic donors
PublicationOptically active ditopic halogen bond donors bearing two 4-iodotetrafluorophenyl groups were obtained by reaction of chiral diols with iodopentafluorobenzene. Co-crystallization of these donors with anti-4,4′-azopyridine afforded binary complexes containing infinite chains of the alternating component molecules connected by halogen bonds. The solid state CD measurements confirmed that complexation induces optical activity of the...
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Deep Eutectic Solvents as Agents for Improving the Solubility of Edaravone: Experimental and Theoretical Considerations
PublicationIn this study, both practical and theoretical aspects of the solubility of edaravone (EDA) in Deep Eutectic Solvents (DESs) were considered. The solubility of edaravone in some media, including water, can be limited, which creates the need for new efficient and environmentally safe solvents. The solubility of EDA was measured spectrophotometrically and the complex intermolecular interactions within the systems were studied with...
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Deep Eutectic Solvents as Agents for Improving the Solubility of Edaravone: Experimental and Theoretical Considerations
PublicationIn this study, both practical and theoretical aspects of the solubility of edaravone (EDA) in Deep Eutectic Solvents (DESs) were considered. The solubility of edaravone in some media, including water, can be limited, which creates the need for new efficient and environmentally safe solvents. The solubility of EDA was measured spectrophotometrically and the complex intermolecular interactions within the systems were studied with...
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The Interaction of Heptakis (2,6-di-O-Methyl)-β-Cyclodextrin with Mianserin Hydrochloride and Its Influence on the Drug Toxicity
PublicationOne tetracyclic antidepressant, mianserin hydrochloride (MIA), has quite significant side effects on a patients’ health. Cyclodextrins, which are most commonly used to reduce the undesirable features of contained drugs within their hydrophobic interior, also have the potential to alter the toxic behavior of the drug. The present paper contains investigations and the characteristics of interaction mechanisms for MIA and the heptakis...
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Joanna Janczewska prof. dr hab.
PeopleJoanna Janczewska obtained her PhD degree at the University of Gdansk in 2002. From October 1999 to September 2004 she was an assistant at the University of Gdansk. Since October 2004 she has been an assistant professor at the Gdansk University of Technology. Moreover, from October 2008 to September 2010 she had a visiting position in the Institute of Mathematics of the Polish Academy of Sciences. Her mathematical interests...
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An unusual four-nuclear Pb(II)-pyrrole-2-carboxylato polymer: The effect of the lone pair and non-covalent interactions on the supramolecular assembly and fluorescence properties
PublicationThe reaction of Pb(NO3)2 with 1H-pyrrole-2-carboxylic acid (2prCOOH) leads to the formation of a new four-nuclear Pb(II) polymer, [Pb4(2prCOO)8(H2O)]n, which has been characterized by CHN, FT-IR, TG, PL and single-crystal X-ray diffraction methods. In view of the primary Pb–O bonds, Pb1 and Pb3 show hemidirected pentagonal pyramidal geometries, while Pb2 and Pb4 display hemidirected octahedral geometries. The topology of the strongest...
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Chromogenic derivatives of new bis(phenylhydrazono-1H-tetrazol-5-yl-acetonitriles) - synthesis and properties
PublicationDerivatives of bis(phenylhydrazono-1H-tetrazol-5-yl-acetonitriles) with oxygen and sulphur atoms in the structure of aliphatic chains were successfully synthesised. The correlation between the ligand structure and its complexation properties was investigated by absorption spectroscopy. The formation of complexes of presented compounds with metal cations (Cu2+, Ni2+, Zn2+, Co2+, Fe2+ and Pb2+) was studied. Ligands 5-8 were additionally...
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Studies on the solid-liquid equilibria and intermolecular interactions Urea binary mixtures with Sulfanilamide and Sulfacetamide
PublicationThe binary phase diagrams of Sulfanilamide-Urea (SN-U) and Sulfacetamide-Urea (SC-U) were measured using differential scanning calorimetry technique (DSC). Both examined mixtures were found to form simple binary eutectics. The limited miscibility in the solid state observed by DSC, proving inability of co-crystallization in new multi-molecular form, was also confirmed using PXRD and FTIR-ATR measurements of solid dispersions...
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Krzysztof Jan Kaliński prof. dr hab. inż.
PeopleKrzysztof J. Kaliński completed his MSc study at Gdańsk University of Technology (GUT) Faculty of Production Engineering (1980, result – get a first). He obtained PhD at GUT Faculty of Machine Building (1988, result – get a first), DSc at GUT Faculty of Mechanical Engineering (ME) (2002, result – get a first), and professor’s title – w 2013 r. In 2015 r. he became full professor, and since 2019 - professor.His research area includes:...
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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
PublicationIn 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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Selected organophosphorus compounds with biological activity. Applications in medicine
PublicationThe purpose of this article is to provide an overview of the latest applications of organophosphorus compounds (OPs) that exhibit biological activity. A large family of OPs have become popular in recent years. The practical application of OPs in modern medicine has been attributed to their unique properties. In this article, the methods used to select these compounds will be emphasized. This paper will first outline the findings...
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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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Lead In drinking water: Adsorption method and role of zeolitic imidazolate frameworks for its remediation: A review
PublicationDue to various characteristics properties lead(II) metal is utilized in many applications like lead ion batteries, water pipes, ammunition and paints. For this reason, concentration of lead(II) ions in water is increasing days by days which is alarming for water pollution. Water pollution is a major problem worldwide which affects biosphere badly, and causes continuous reduction of accessible sources of fresh water and ground water, available...
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Integrated algorithm for selecting the location and control of energy storage units to improve the voltage level in distribution grids
PublicationThis paper refers to the issue that mainly appears in distribution grids, where renewable energy sources (RES) are widely installed. In such grids, one of the main problems is the coordination of energy production time with demand time, especially if photovoltaic energy sources are present. To face this problem, battery energy storage units (ESU) can be installed. In recent years, more and more attention has been paid to optimizing...
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Dysfunctional prefrontal cortical network activity and interactions following cannabinoid receptor activation.
PublicationCoordinated 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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Managing Unemployment under COVID-19 Conditions (States of Emergency or Crisis)
PublicationRising unemployment is one of the consequences of the COVID-19 pandemic in many countries. This, in turn, has forcedpolicymakers to respond immediately with policy tools to minimize unemployment. The purpose of our study is to contribute toempirical knowledge by looking at activities of 40 local government units to counteract unemployment in the cross-border regionon the Polish side. In doing this, our study contributes to the...
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Checkpoints that regulate balanced biosynthesis of lipopolysaccharide and its essentiality in Escherichia coli
PublicationThe outer membrane (OM) of Gram-negative bacteria, such as Escherichia coli, is essential for their viability. Lipopolysaccharide (LPS) constitutes the major component of OM, providing the permeability barrier, and a tight balance exists between LPS and phospholipids amounts as both of these essential components use a common metabolic precursor. Hence, checkpoints are in place, right from the regulation of the first committed step...