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Search results for: STARBURST AMINES
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Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field
PublicationThe physics-based united-residue (UNRES) model of proteins ( www.unres.pl ) has been designed to carry out large-scale simulations of protein folding. The force field has been derived and parameterized based on the principles of statistical-mechanics, which makes it independent of structural databases and applicable to treat nonstandard situations such as, proteins that contain D-amino-acid residues. Powered by Langevin dynamics...
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Extended phase diagram of RNiC2 family: Linear scaling of the Peierls temperature
PublicationPhysical properties for the late-lanthanide-based RNiC2 (R = Dy, Ho, Er, and Tm) ternary compounds are reported. All the compounds show antiferromagnetic ground state with the Néel temperature ranging from 3.4 K for HoNiC2 to 8.5 K for ErNiC2. The results of the transport and galvanomagnetic properties confirm a charge density wave state at and above room temperature with transition temperatures TCDW = 284, 335, 366, and 394 K for...
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Accuracy assessment of mobile satellite measurements in relation to the geometrical layout of rail tracks
PublicationThe paper presents the campaigns of mobile satellite measurements, carried out in 2009–2015 on the railway and tram lines. The accuracy of the measurement method has been analysed on the basis of the results obtained in both horizontal and vertical planes. The track axis deviation from the defined geometric shape has been analysed in the areas clearly defined in terms of geometry, i.e. on the straight sections and sections with...
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Supporting Software Project Management Processes Using the Agent System
PublicationThe natural development of information technology area stimulates intense growth of various technologies which support basic organization processes. The range of technologies implies appropriate management thereof, as well as accurate correspondence with conducted activities. Abandonment of activities within individual branches in favour of project approach to performed assignments (especially those connected with software development)...
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The Efficiency of Public and Private Higher Education Institutions in Poland
PublicationChanges introduced to Poland’s education system in 2011 and 2014 amid efforts to adjust it to the needs of the labour market had an effect on the country’s institutions of higher learning. This paper provides an analysis of the efficiency of public and private Polish universities and examines the impact of selected factors in the years that followed. To estimate this efficiency, a Banker, Charnes and Cooper (BCC) model of the...
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To what extent can hyperelastic models make sense the effect of clay surface treatment on the mechanical properties of elastomeric nanocomposites?
PublicationThe poor knowledge about nonlinear mechanical behavior of elastomer nanocomposites arises from the incomplete information on the interface. Application of hyperelastic models provides more insights into the nature and the situation of interaction between the elastomeric matrix and nanofillers. The current work seeks to address the effect of interphase strength on tensile properties of the elastomer nanocomposites under large deformations....
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Objectivity in the non-Markovian spin-boson model
PublicationObjectivity constitutes one of the main features of the macroscopic classical world. An important aspect of the quantum-to-classical transition issue is to explain how such a property arises from the microscopic quantum theory. Recently, within the framework of open quantum systems, there has been proposed such a mechanism in terms of the so-called spectrum broadcast structures. These are multipartite quantum states of the system...
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Digestate Quality Originating from Kitchen Waste
PublicationThis paper examines the influence of biomass directed to anaerobic digestion on the quality of digestate, specifically focusing on the presence of undesirable substances, such as plastics, including biodegradable ones. It analyses the susceptibility of selected bioplastics to degradation and addresses the problem of reliable identification of microplastics in both feedstock—directed to anaerobic digestion—and produced digestate....
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Scheduling for Industrial Control Traffic Using Massive MIMO and Large Intelligent Surfaces
PublicationIndustry 4.0, with its focus on flexibility and customizability, is pushing in the direction of wireless communication in future smart factories, in particular massive multiple-input multiple-output (MIMO), and its future evolution Large Intelligent Surfaces (LIS), which provide more reliable channel quality than previous technologies. As such, there arises the need to perform efficient scheduling of industrial control traffic...
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The role of traditional architectural models in the first stages of education.
PublicationThe oldest architectural models discovered by scientists date from the Middle Ages, while models or 1:1 scale prototypes were used in ancient times. Architectural miniatures quickly evolved into an indispensable tool for designers that enabled them to creatively express their thoughts and ideas. Mock-ups became a way of helping a designer communicate a concept, and their educational value was also recognised. The method of modelling,...
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How to Sort Them? A Network for LEGO Bricks Classification
PublicationLEGO bricks are highly popular due to the ability to build almost any type of creation. This is possible thanks to availability of multiple shapes and colors of the bricks. For the smooth build process the bricks need to properly sorted and arranged. In our work we aim at creating an automated LEGO bricks sorter. With over 3700 different LEGO parts bricks classification has to be done with deep neural networks. The question arises...
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Determinants of Directionality and Efficiency of the ATP Synthase Fo Motor at Atomic Resolution
PublicationFo subcomplex of ATP synthase is a membrane-embedded rotary motor that converts proton motive force into mechanical energy. Despite a rapid increase in the number of high-resolution structures, the mechanism of tight coupling between proton transport and motion of the rotary c-ring remains elusive. Here, using extensive all-atom free energy simulations, we show how the motor’s directionality naturally arises from the interplay...
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Ontological Model for Contextual Data Defining Time Series for Emotion Recognition and Analysis
PublicationOne of the major challenges facing the field of Affective Computing is the reusability of datasets. Existing affective-related datasets are not consistent with each other, they store a variety of information in different forms, different formats, and the terms used to describe them are not unified. This paper proposes a new ontology, ROAD, as a solution to this problem, by formally describing the datasets and unifying the terms...
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Greencoin: prototype of a mobile application facilitating and evidencing pro-environmental behavior of citizens
PublicationAmong many global challenges, climate change is one of the biggest challenges of our times. While it is one of the most devastating problems humanity has ever faced, one question naturally arises: can individuals make a difference? We believe that everyone can contribute and make a difference to the community and lives of others. However, there is still a lack of effective strategies to promote and facilitate pro-environmental...
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Media architecture: participation through the senses
PublicationPervasive media and interactive technologies have become inseparable not only from our everyday life but also from architecture and city spaces. However, the generic use of new technologies in the design process and material production that affects contemporary architecture, results in buildings that become mere visual objects losing their hapticity and non-visual qualities. Despite the substantial advancement in the research studies...
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Video Classification Technology in a Knowledge-Vision-Integration Platform for Personal Protective Equipment Detection: An Evaluation
PublicationThis work is part of an effort for the development of a Knowledge-Vision Integration Platform for Hazard Control (KVIP-HC) in industrial workplaces, adaptable to a wide range of industrial environments. This paper focuses on hazards resulted from the non-use of personal protective equipment (PPE), and examines a few supervised learning techniques to compose the proposed system for the purpose of recognition of three protective...
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Historic railway stations, documentation and revitalization of the railway infrastructure facilities - protection of cultural and social heritage
PublicationThe article presents problems of documentation and adaptation of buildings which constitute the cultural heritage of the railway infrastructure facilities in Pomerania in Poland. Shows the potential and possibilityto be adopted for various purposes. This problem affects many sites and buildings, railway stations, railway warehouses, residential buildings, technical buildings, water towers, trackman shelters, bridges, viaducts,...
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Synthesis and Spectroscopic Characterization of Selected Phenothiazines and Phenazines Rationalized Based on DFT Calculation
PublicationTwo unique structures were isolated from the phosphorylation reaction of 10H-phenothiazine.The 5,5-dimethyl-2-(10H-phenothiazin-10-yl)-1,3,2-dioxaphosphinane 2-oxide (2a) illustrates theproduct of N-phosphorylation of phenothiazine. Moreover, a potential product of 2a instability,a thiophosphoric acid 2b, was successfully isolated and structurally characterized. Molecule 2a,similarly to sulfoxide derivative...
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Monitoring strategy for industrially contaminated rivers - A study of all year round behaviour of Klodnica river catchment, upper Silesia, Poland
PublicationThe study was undertaken to thoroughly characterise the contamination of water in industrially influenced river Klodnica, in order to explore monitoring strategies in case of limited analytical capacity. Statistical analysis undertaken after a short study was found to be helpful in reducing monitoring efforts in the future.Klodnica river is located within area of dominating coal mining, metallurgy, and additionally being influenced...
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Bulk-Surface Modification of Nanoparticles for Developing Highly-Crosslinked Polymer Nanocomposites
PublicationSurface modification of nanoparticles with functional molecules has become a routine method to compensate for diffusion-controlled crosslinking of thermoset polymer composites at late stages of crosslinking, while bulk modification has not carefully been discussed. In this work, a highly-crosslinked model polymer nanocomposite based on epoxy and surface-bulk functionalized magnetic nanoparticles (MNPs) was developed. MNPs were...
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Chemical analysis of low carbon content coals and their applications as dye adsorbent
PublicationCoal is primarily a fuel material but lately it has been utilized as an adsorbent for removing toxic metal ions. However, its usage for removing organic pollutants is not well studied. We report here a systematic study on the use of coal samples of varying carbon contents as adsorbents for removing Basic Blue 41 as a model cationic dye. The coal samples were collected from coal mines and were thoroughly characterized. The concentrations...
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Ocena kształtu geometrycznego torów tramwajowych na podstawie pomiarów satelitarnych
PublicationW pracy przedstawiono ocenę możliwości wykorzystania dwusystemowych fazowych odbiorników GNSS (GPS/Glonass) dla realizacji pomiaru inwentaryzacyjnego linii tramwajowych. Opisano przebieg pomiarów przeprowadzonych na terenie Gdańska i uzyskane wyniki. Wykazano, że dla obszarów miejskich zastosowanie rozwiązań GNSS w oparciu o lokalną stację referencyjną może być alternatywnym podejściem względem pomiarów opartych o sieć ASG-EUPOS...
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Price convergence in the EU-an aggregate and disaggregate approach
PublicationThis article examines the price dispersion in the European Union (EU) over 15 years (1990-2005). An extensive overview of the literature offers inconclusive results with the half-lives of price shocks from 2.8 to 282 months. Until now, most of the empirical research has been either micro or macro based. In contrast, we conducted a complex analysis utilizing both aggregate and disaggregate price data. The macro approach is based...
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Determination of organophosphorus and organonitrogen pesticides in water samples
PublicationPesticides are among the most dangerous environmental pollutants because of their stability, mobility and long-term effects on living organisms. Their presence in sources of drinking water, essential to life, is a particular danger. In water, these compounds can undergo transformations, leading to the production of substances of even greater toxicity. Legal regulations are in force, stipulating the highest permissible level of...
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An Approach to Agent-Based Supporting System for IT Projects
PublicationAbstract. The natural development of information technology area stimulates intense growth of various technologies which support basic organization processes. The range of technologies implies appropriate management thereof, as well as accurate correspondence with conducted activities. Abandonment of activities within individual branches in favour of project approach to performed assignments (especially those connected with software...
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Scholarly communication activities in the fields of chemistry and economics. A Polish perspective
PublicationThis study examines the scholarly communication activities in two scientific fields, chemistry and economics, in a Polish context. The dissertation aims at investigating what characterises the publishing choices of researchers and what supplementary forms for the dissemination of research output are used by scholars. In addition, the paper is looking into what are the views and awareness of open access and institutional repositories...
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THE FUNCTION OF GREENERY IN A SKYSCRAPER: THE PLACEMENT AND ITS INFLUENCE
PublicationThe contrast between the high rise buildings; with their mostly geometric shapes, and the organic form of the greenery was visible even in the idea of a skyscraper. Yet the realizations and recent projects show emerging interest and the link between them. To better understand the developing function of the greenery in the context of a skyscraper, both literature and case studies are conducted. The aim is to relate the location...
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Cryptocurrencies as a Speculative Asset: How Much Uncertainty is Included in Cryptocurrency Price?
PublicationThe aim of this paper is to examine the relationship between uncertainty indices (Geopolitical Uncertainty Index and Global Economic Policy Uncertainty Index) and cryptocurrencies. This study evaluated the behavior of cryptocurrencies with the evolution of uncertainties (GPU, EPU) on returns and volatility in terms of safe heaven as in traditional specualtive assets it increases their volaitility and reduces risk. For this purpose,...
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How digital technology affects working conditions in globally fragmented production chains: Evidence from Europe
PublicationThis paper uses a sample of over 9 million workers from 22 European countries to study the intertwined relationship between digital technology, cross-border production links and working conditions. We compare the social consequences of technological change exhibited by three types of innovation: computerisation (software), automation (robots) and artificial intelligence (AI). To fully quantify work-related wellbeing, we propose...
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Design of an Autonomous IoT Node Powered by a Perovskite-Based Wave Energy Converter
PublicationThis paper presents the results of experimental research focused on wave energy harvesting and its conversion to power Internet of Things (IoT) devices. The harvesting and conversion process was performed using a wave energy converter (WEC) consisting of a lead zirconate titanate piezoelectric ceramic perovskite material and a prototype power electronic circuit. The designed WEC was considered as a power supply for an end node...
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How to model ROC curves - a credit scoring perspective
PublicationROC curves, which derive from signal detection theory, are widely used to assess binary classifiers in various domains. The AUROC (area under the ROC curve) ratio or its transformations (the Gini coefficient) belong to the most widely used synthetic measures of the separation power of classification models, such as medical diagnostic tests or credit scoring. Frequently a need arises to model an ROC curve. In the biostatistical...
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Determinants of SME location in a suburban area: Evidence from the Gdańsk–Gdynia–Sopot metropolitan area.
PublicationGiven the importance of small and medium enterprises (SMEs) in the European economy, it is essential to have adequate information about the various factors that determine their choice of location. However, the size of a company is often an aspect not covered in theoretical studies and empirical research on industrial locations and urban planning. This article examines the place of residence...
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Applying a Mesoscopic Transport Model to Analyse the Effects of Urban Freight Regulatory Measures on Transport Emissions—An Assessment
PublicationSustainable urban freight management is a growing challenge for local authorities due to social pressures and increasingly more stringent environmental protection requirements. Freight and its adverse impacts, which include emissions and noise, considerably influence the urban environment. This calls for a reliable assessment of what can be done to improve urban freight and meet stakeholders’ requirements. While changes in a transport...
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EXTREME RAINFALLS AS A CAUSE OF URBAN FLASH FLOODS; A CASE STUDY OF THE ERBIL-KURDISTAN REGION OF IRAQ
PublicationAim of the study The current paper aims to give a detailed evaluation and analysis of some extreme rainfall events that happened in the last decade in terms of spatial and temporal rainfall distribution, intensity rate, and exceedance probability. Moreover, it examines the effects of each analysed aspect on the resulting flash floods in the studied area. Material and methods In their glossary of meteorology, American Meteorology...
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Evaluating the influence of radiative heat flux on convective heat transfer from a vertical plate in air using an improved heating plate
PublicationThis article examines the influence of radiative heat flux on the accuracy of the results of free convective heat transfer in air. In order to carry out these tests, based on the experience gained during the operation of a plate heated on one side, compensated by a reverse heat loss flux counter-heater, a unique double-sided heating sandwich plate was designed and built, consisting of three thin epoxy resin plates reinforced with...
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Examining Statistical Methods in Forecasting Financial Energy of Households in Poland and Taiwan
PublicationThis paper examines the usefulness of statistical methods in forecasting the financial energy of households. The study’s objective is to create the innovative ratios that combine both financial and demographic information of households and implement them in the forecasting models. To conduct this objective, six forecasting models are developed using three different methods—discriminant analysis, logit analysis, and decision trees...
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Improvement of the Chimney Effect in Stack Ventilation
PublicationThe article is focused on the airflow in a ventilation system in a building. The work examines the methods which enhance the chimney effect. In this paper, three cases with different chimneys were analyzed for the full-scale experiment. These cases were characterized by different geometrical and material parameters, leading to differences in the intensity of the ventilation airflow. The common denominator of the cases was the room...
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Performance Analysis of the OpenCL Environment on Mobile Platforms
PublicationToday’s smartphones have more and more features that so far were only assigned to personal computers. Every year these devices are composed of better and more efficient components. Everything indicates that modern smartphones are replacing ordinary computers in various activities. High computing power is required for tasks such as image processing, speech recognition and object detection. This paper analyses the performance of...
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Price bubbles in commodity market – A single time series and panel data analysis
PublicationThis paper examines thirty-five commodities, grouped into three market sectors (energy, metals, agriculture & livestock) in terms of the occurrence of price bubbles. The study was based on monthly data for each commodity separately and, in a panel approach, for selected sectors and for all commodities combined. The GSADF test and its version for panel data – panel GSADF – were used to identify bubbles. The beginning and end of...
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Multi-state multi-reference Møller-Plesset second-order perturbation theory for molecular calculations
PublicationThis work presents multi‐state multi‐reference Møller–Plesset second‐order perturbation theory as a variant of multi‐reference perturbation theory to treat electron correlation in molecules. An effective Hamiltonian is constructed from the first‐order wave operator to treat several strongly interacting electronic states simultaneously. The wave operator is obtained by solving the generalized Bloch equation within the first‐order...
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Nanoparticles and nanofiltration for wastewater treatment: From polluted to fresh water
PublicationWater pollution poses significant threats to both ecosystems and human health. Mitigating this issue requires effective treatment of domestic wastewater to convert waste into bio-fertilizers and gas. Neglecting liquid waste treatment carries severe consequences for health and the environment. This review focuses on intelligent technologies for water and wastewater treatment, targeting waterborne diseases. It covers pollution prevention...
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Transformation pathways and fate of engineered nanoparticles (ENPs) in distinct interactive environmental compartments: A review
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The effect of aeration mode (intermittent vs. continuous) on nutrient removal and greenhouse gas emissions in the wastewater treatment plant of Corleone (Italy)
PublicationThe paper reports the results of an experimental study aimed at comparing two configurations of a full-scale wastewater treatment plant (WWTP): conventional activated sludge (CAS) and oxic-settling-anaerobic process (OSA) with intermittent aeration (IA). A comprehensive monitoring campaign was carried out to assess multiple parameters for comparing the two configurations: carbon and nutrient removal, greenhouse gas emissions, respirometric...
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Some new soliton solutions to the higher dimensional Burger–Huxley and Shallow water waves equation with couple of integration architectonic
PublicationIn this paper, we retrieve some traveling wave, periodic solutions, bell shaped, rational, kink and anti-kink type and Jacobi elliptic functions of Burger’s equation and Shallow water wave equation with the aid of various integration schemes like improved -expansion scheme and Jacobi elliptic function method respectively. We also present our solutions graphically in various dimensions.
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Visualization of a lifeboat motion during lowering along ship’s side
PublicationThis paper presents description of a computer program for motion visualization of a lifeboat lowered along ship’s side. The program is a post-processor which reads results of numerical calculations of simulated objects’ motions. The data is used to create scene composed of 3D surfaces to visualize mutual spatial positions of a lifeboat, ship’s side and water waving surface. Since the numerical data contain description of a simulation...
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Properties of recombinant trehalose synthase from Deinococcus radiodurans expressed in Escherichia coli
PublicationA trehalose synthase gene from Deinococcus radiodurans(DSMZ 20539)containing 1659 bp reading frame encoding 552 amino acids was amplified using PCR. The gene was finally ligated into pET30Ek/LIC vector and expressed after isopropyl β-d-thiogalactopyranoside induction in Escherichia coli (DE3) Rosetta pLysS. The recombinanttrehalose synthase (DraTreS) containing a His6-tag at the C-terminus was purified by metal affinity chromatography...
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Generalized Chebyshev Bandpass Filters With Frequency-Dependent Couplings Based on Stubs
PublicationThis paper presents an accurate synthesis method for inline and cross-coupled generalized Chebyshev bandpass filters with frequency-dependent couplings implemented via open and short stubs. The technique involves the synthesis of a lumped-element prototy pe in the form of a coupling matrix with a frequency-dependent term and the conversion of this prototype to a distributed-element mode l composed of sections of TEM lines. This...
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Isolation of the GFA1 gene encoding glucosamine-6-phosphate synthase of Sporothrix schenckii and its expression in Saccharomyces cerevisiae
PublicationGlucosamine-6-phosphate synthase (GlcN-6-P synthase) is an essential enzyme involved in cell wall biogenesis that has been proposed as a strategic target for antifungal chemotherapy. Here we describe the cloning and functional characterization of Sporothrix schenckii GFA1 gene which was isolated from a genomic library of the fungus. The gene encodes a predicted protein of 708 amino acids that is homologous to GlcN-6-P synthases...
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Selective detection of F- by chromogenic tetrazole receptor
PublicationA chromogenic anion host 4, containing two amide functionalities linked to azo dye and tetrazole rings was synthesized and its complexes with various anions were investigated. The results show that receptor 4 can recognize selectively biologically important F- ion. The binding affinity for F- was investigated by naked-eye colour change, UV-Vis and 1H NMR spectroscopy. Addition F- ion in CH3CN and DMSO to receptor 4 cause a colour...
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Generic emergence of classical features in quantum Darwinism
PublicationQuantum Darwinism posits that only specific information about a quantum system that is redundantly proliferated to many parts of its environment becomes accessible and objective, leading to the emergence of classical reality. However, it is not clear under what conditions this mechanism holds true. Here we prove that the emergence of classical features along the lines of quantum Darwinism is a general feature of any quantum dynamics:...