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Search results for: quantile regression
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Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives
PublicationOther than efficacy of interaction with the molecular target, metabolic stability is the primary factor responsible for the failure or success of a compound in the drug development pipeline. The ideal drug candidate should be stable enough to reach its therapeutic site of action. Despite many recent excellent achievements in the field of computational methods supporting drug metabolism studies, a well-recognized procedure to model...
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Mass spectrometry based identification of geometric isomers during metabolic stability study of a new cytotoxic sulfonamide derivatives supported by quantitative structure-retention relationships
PublicationA set of 15 new sulphonamide derivatives, presenting antitumor activity have been subjected to a metabolic stability study. The results showed that besides products of biotransformation, some additional peaks occurred in chromatograms. Tandem mass spectrometry revealed the same mass and fragmentation pathway, suggesting that geometric isomerization occurred. Thus, to support this hypothesis, quantitative structure-retention relationships...
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Low-Cost Quasi-Global Optimization of Expensive Electromagnetic Simulation Models by Inverse Surrogates and Response Features
PublicationConceptual design of contemporary high-frequency structures is typically followed by a careful tuning of their parameters, predominantly the geometry ones. The process aims at improving the relevant performance figures, and may be quite expensive. The reason is that conventional design methods, e.g., based on analytical or equivalent network models, often only yield rough initial designs. This is especially the case for miniaturized...
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Knowledge-based performance-driven modeling of antenna structures
PublicationThe importance of surrogate modeling techniques in the design of modern antenna systems has been continuously growing over the recent years. This phenomenon is a matter of practical necessity rather than simply a fashion. On the one hand, antenna design procedures rely on full-wave electromagnetic (EM) simulation tools. On the other hand, the computational costs incurred by repetitive EM analyses involved in solving common tasks...
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Accurate Modeling of Antenna Structures by Means of Domain Confinement and Pyramidal Deep Neural Networks
PublicationThe importance of surrogate modeling techniques has been gradually increasing in the design of antenna structures over the recent years. Perhaps the most important reason is a high cost of full-wave electromagnetic (EM) analysis of antenna systems. Although imperative in ensuring evaluation reliability, it entails considerable computational expenses. These are especially pronounced when carrying out EM-driven design tasks such...
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Chitosan-coated coconut shell composite: A solution for treatment of Cr(III)-contaminated tannery wastewater
PublicationTannery industry generates a large amount of Cr(III)-contaminated wastewater daily. Unless properly treated, not only this effluent contaminates the water body, but also damages the environment and threatens public health. This batch study investigates the feasibility of chitosan-coated coconut shells as a low-cost material for removing Cr(III) from tannery wastewater. Both chitosan and coconut shell (CS) waste are abundantly available...
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A model for agribusiness supply chain risk management using fuzzy logic. Case study: Grain route from Ukraine to Poland
PublicationIn order to establish new logistics routes, it is necessary to address several technical and organizational issues, among others. One of the most important criteria for evaluating the performance of a supply chain is the delivery time, proactive consideration of potential hazards and associated uncertainties that may occur along the route. However, the existing solutions are often passive and reactive, based on statistics, thus...
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IMPACT OF THE ORGANISATION OF MEGA SPORTING EVENTS ON SELECTED ELEMENTS OF THE TOURISM SECTOR
PublicationIntroduction. In the world-wide literature, there is no unanimity in the assessment of the impact of mega sporting events on the tourism sector. Therefore, the main purpose of this study was to quantify the impact of mega sporting events on changes in tourist inflow and the amount of expenditure incurred by visitors. Material and methods. In this study, an ex-post analysis of many different categories of mega sporting events was...
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Mercury in suspended matter of the Gulf of Gdańsk: Origin, distribution and transport at the land–sea interface
PublicationThe coastal regions of inland seas are particularly vulnerable to Hg pollution. An important carrier of toxic Hg in the marine environment is suspended matter originating from multiple sources. The present study was conducted in the Gulf...
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Determination of polybrominated diphenyl ethers in house dust using standard addition method and gas chromatography with electron capture and mass spectrometric detection
PublicationMonitoring of the environmental fate of polybrominated diphenyl ethers (PBDEs) involves determination of their concentration in air, airborne particles and settled dust. This requires the implementation of appropriate analytical tools like measuring instruments, reference materials and analytical procedures. In this study an analytical procedure was developed for determining PBDEs in samples with a complex matrix composition. The...
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Stormwater and snowmelt runoff storage control and flash flood hazard forecasting in the urbanized coastal basin.
PublicationCity of Gdańsk is located in a coastal region where changing climatic conditions increase the frequency of extreme weather events. Developing urbanization affects the hydrology of natural basins by simplification of the drainage system and reduction of infiltration and base flow. Consequently greater runoff rates flow into storm water collection systems, reservoirs and surrounding water bodies. Not only infrastructures of urban...
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Stormwater runoff in the urbanized coastal basin of Gdańsk Urbanized basin of Gdańsk
PublicationAnthropopressure strongly affects the primal water cycle. Alternation of the natural basins imposes changes of drainage patterns, reduction of bioretention, infiltration and base flow. As a result the overland flow predominates and greater runoff rates flow into storm water collection systems and reservoirs. Moreover changing climatic conditions increase the frequency of rapid extreme weather events. Infrastructures of urban areas...
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Assessment of toxic and endocrine potential of substances migrating from selected toys and baby products
PublicationAnalysis of literature data shows that there is limited information about the harmful biological effects of mixture of compounds from the EDC group that are released from the surface of toys and objects intended for children and infants. One of the tools that can be used to obtain such information is appropriate bioanalytical tests. The aim of this research involved determining whether tests that use living organisms as an active...
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The miniaturised emission chamber system and home-made passive flux sampler studies of monoaromatic hydrocarbons emissions from selected commercially-available floor coverings
PublicationThe estimation of the emission rate of organic compounds released from various types of indoor materials can be performed using stationary environmental test chambers (ETC) classified as ex-situ methods or small-scale portable analytical devices based on the use of passive technique at the stage of analytes sampling from the gaseous phase (in-situ methods). The paper presents results of emissions of selected organic compounds from...
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Titanium lanthanum three oxides decorated magnetic graphene oxide for adsorption of lead ions from aqueous media
PublicationThe current study presents a viable and straightforward method for synthesizing titanium lanthanum three oxide nanoparticles (TiLa) and their decoration onto the ferrous graphene oxide sheets to produce FeGO-TiLa as efficient magnetic adsorbent. Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and vibration sample magnetometer (VSM) were used to evaluate...
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Computationally-Efficient Statistical Design and Yield Optimization of Resonator-Based Notch Filters Using Feature-Based Surrogates
PublicationModern microwave devices are designed to fulfill stringent requirements pertaining to electrical performance, which requires, among others, a meticulous tuning of their geometry parameters. When moving up in frequency, physical dimensions of passive microwave circuits become smaller, making the system performance increasingly susceptible to manufacturing tolerances. In particular, inherent inaccuracy of fabrication processes affect...
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Corrosion Resistance and Surface Bioactivity of Ti6Al4V Alloy after Finish Turning under Ecological Cutting Conditions
PublicationThe influence of cooling conditions and surface topography after finish turning of Ti6Al4V titanium alloy on corrosion resistance and surface bioactivity was analyzed. The samples were machined under dry and minimum quantity lubrication (MQL) conditions to obtain different surface roughness. The surface topographies of the processed samples were assessed and measured using an optical profilometer. The produced samples were subjected...
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Comparative analysis of mRNA transcripts of HT-29 cell line expressed in identical quantities for pathogenic E. coli strains UM146 and UM147 with control Escherichia coli Nissle 1917
PublicationAim of study was comparative analysis of mRNA transcripts of HT-29 cell line, expressed in identical quantities for the combination of pathogenic and non-pathogenic Escherichia coli strains. HT-29 confluent monolayers infection with two pathogenic E. coli strains UM146 and UM147 resulted in two sets of mRNA transcripts that were identical with RNA transcripts obtained for non-pathogenic one strain E. coli Nissle 1917. In this study...
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FEM simulations applied to the failure analysis of RC structure under the influence of municipal sewage pressure
PublicationThe paper discusses a failure mechanism of reinforced concrete (RC) structure with steel cover that failed under the influence of municipal sewage pressure. To explain the reasons of failure, in-situ measurements, laboratory experiments and comprehensive Finite Element Method (FEM) computations were performed. Non-destructive in-situ scanning tests were carried out to determine quantity and cover thickness of embedded reinforcement...
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Influence of windsurfing fin stiffness distribution on the lift-drag characteristics
PublicationThis article addresses the problem of determining the hydromechanical loads generated by flexible hydrofoils. The research was done on the example of the composite windsurfing fin for the RS:X monotype class. Despite the assumption of fins identity, everyday practice showed that variations of mechanical properties occur and strongly affect their performance. Therefore, we decided to study the differences between the windsurfing...
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A Comprehensive Approach to Azo Dichlorotriazine Dye Treatment: Assessing the Impact of Physical, Chemical, and Biological Treatment Methods through Statistical Analysis of Experimental Data
PublicationThis exploration investigates integrated treatment systems combining advanced oxidation processes (Fenton and photo-Fenton) with biological methods for the effective elimination of stubborn organic compounds in simulated textile wastewater composed of azo Dichlorotriazine dye. A comprehensive optimization of key process factors including catalyst dosage, hydrogen peroxide quantity, irradiation duration, etc. was systematically...
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Application of COSMO-RS-DARE as a Tool for Testing Consistency of Solubility Data: Case of Coumarin in Neat Alcohols
PublicationCoumarin is a naturally occurring lactone-type benzopyrone with various applications in the pharmaceutical, food, perfume, and cosmetics industries. This hydrophobic compound is poorly soluble in water but dissolves well in protic organic solvents such as alcohols. Despite the extensive use of coumarin, there are only a few reports documenting its solubility in organic solvents, and some reported data are incongruent, which...
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Therapeutic Potential of Carnosine and Its Derivatives in the Treatment of Human Diseases
PublicationDespite significant progress in the pathogenesis, diagnosis, treatment, and prevention of cancer and neurodegenerative diseases, their occurrence and mortality are still high around theworld. The resistance of cancer cells to the drugs remains a significant problem in oncology today,while in the case of neuro-degenerative diseases, therapies reversing the process are still yet to be found. Furthermore, it is important to seek new...
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Torsional elasticity and energetics of F1-ATPase
PublicationFoF1-ATPase is a rotary motor protein synthesizing ATP from ADP driven by a cross-membrane proton gradient. The proton flow through the membrane-embedded Fo generates the rotary torque that drives the rotation of the asymmetric shaft of F1. Mechanical energy of the rotating shaft is used by the F1 catalytic subunit to synthesize ATP. It was suggested that elastic power transmission with transient storage of energy in some compliant...
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Transparent nanocomposite coatings based on epoxy and layered double hydroxide: Nonisothermal cure kinetics and viscoelastic behavior assessments
PublicationLayered double hydroxide (LDH) has a particular place in clay family because of its flame retardant action. The nanoplatelet-like structure of LDH makes possible development of polymer composites with cationic or anionic nature structures in which macromolecules are positioned in between nanoplatelet galleries. In this work, neat epoxy and its transparent nanocomposite coatings with sodium dodecylbenzene sulfonate (SDBS)-modified...
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Postbiotics in oncology: science or science fiction?
PublicationThe gut microbiome has been increasingly understood to play a critical role in carcinogenesis and cancer disease progression. The most recent research advancements have shown that different tools of microbiota manipulation contribute to gut microbiome–immune–oncology axis modulation, offering exciting opportunities for targeted interventions aimed at improving the efficacy of established anti-cancer therapy. Postbiotics are a new...
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Detection of Alzheimer's disease using Otsu thresholding with tunicate swarm algorithm and deep belief network
PublicationIntroduction: Alzheimer’s Disease (AD) is a degenerative brain disorder characterized by cognitive and memory dysfunctions. The early detection of AD is necessary to reduce the mortality rate through slowing down its progression. The prevention and detection of AD is the emerging research topic for many researchers. The structural Magnetic Resonance Imaging (sMRI) is an extensively used imaging technique in detection of AD, because...
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Comparison of 2D and 3D culture models in the studies of the biological response induced by unsymmetrical bisacridines in cancer cells
PublicationMulticellular tumor spheroids are a good tool for testing new anticancer drugs, including those that may target cancer stem cells (CSCs), responsible for cancer progression, metastasis, and recurrence. Therefore, following the initial evaluation of the impact of antitumor unsymmetrical bisacridines (UAs) on lung and colon cancer cells using traditional monolayer cultures, I extended my investigations and applied the spherical model....
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Determinanty kreowania wartości marki poprzez media społecznościowe w gospodarce sieciowej
PublicationGłównym problemem badawczym podejmowanym w pracy, jest określenie struktury czynników determinujących kreowanie wartości marki w mediach społecznościowych. Dla rozwiązania tego problemu wykonano dwa badania. Pierwsze z nich dotyczyło określenia relacji pomiędzy wartością marki a jej pozycją w sieciach społecznościowych (model BV). Badanie to zrealizowano w oparciu o metody ilościowe: analizę statystyczną danych wtórnych i danych...
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Możliwości zastosowań, potencjalne źródła oraz ewolucja technologiczna sposobu otrzymywania trehalozy ze szczególnym uwzględnieniem enzymu syntazy trehalozy [EC 5.4.99.16]
PublicationJedna z wiodących gałęzi współczesnej biotechnologii opiera się na produkcji białek – przede wszystkim enzymów. Są one powszechnie wykorzystywane: od przemysłu chemicznego poprzez przemysł spożywczy aż po medycynę i życie codzienne (czy ktoś wyobraża sobie w dzisiejszych czasach proszek do prania „bez enzymu”). Przed rozwojem nowoczesnych metod biologii molekularnej i inżynierii genetycznej pozyskiwano interesujące substancje z...
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Exploring the Solubility Limits of Edaravone in Neat Solvents and Binary Mixtures: Experimental and Machine Learning Study
PublicationThis study explores the edaravone solubility space encompassing both neat and binary dissolution media. Efforts were made to reveal the inherent concentration limits of common pure and mixed solvents. For this purpose, the published solubility data of the title drug were scrupulously inspected and cured, which made the dataset consistent and coherent. However, the lack of some important types of solvents in the collection called...
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Do morphometric parameters and geological conditions determine chemistry of glacier surface ice? Spatial distribution of contaminants present in the surface ice of Spitsbergen glaciers (European Arctic)
PublicationAbstract The chemism of the glaciers is strongly determined by long-distance transport of chemical substances, and their wet and dry deposition on the glacier surface. This paper concerns spatial distribution of metals, ions, and dissolved organic carbon, as well as the differentiation of physicochemical parameters (pH, electrical conductivity) determined in ice surface samples collected from four Arctic glaciers during the summer...
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Assessing the attractiveness of human face based on machine learning
PublicationThe attractiveness of the face plays an important role in everyday life, especially in the modern world where social media and the Internet surround us. In this study, an attempt to assess the attractiveness of a face by machine learning is shown. Attractiveness is determined by three deep models whose sum of predictions is the final score. Two annotated datasets available in the literature are employed for training and testing...
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Experimental and Theoretical Insights into the Intermolecular Interactions in Saturated Systems of Dapsone in Conventional and Deep Eutectic Solvents
PublicationSolubility is not only a crucial physicochemical property for laboratory practice but also provides valuable insight into the mechanism of saturated system organization, as a measure of the interplay between various intermolecular interactions. The importance of these data cannot be overstated, particularly when dealing with active pharmaceutical ingredients (APIs), such as dapsone. It is a commonly used anti-inflammatory and...
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Safety PL - a support tool for Road Safety Impact Assessment
PublicationPublished on 19 November 2008, the European Union's Directive 2008/96/EC is one of the most important EU documents setting out a road safety orientation, in particular, road infrastructure safety management. It identifies four main areas of activity: road safety impact assessment, road safety audit, ranking of high accident concentration sections and network safety ranking and road infrastructure safety inspection. The Directive...
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Ontology-based text convolution neural network (TextCNN) for prediction of construction accidents
PublicationThe construction industry suffers from workplace accidents, including injuries and fatalities, which represent a significant economic and social burden for employers, workers, and society as a whole.The existing research on construction accidents heavily relies on expert evaluations,which often suffer from issues such as low efficiency, insufficient intelligence, and subjectivity.However, expert opinions provided in construction...
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Recycled rubber wastes-based polymer composites with flame retardancy and electrical conductivity: Rational design, modeling and optimization
PublicationPolymer recycling techniques experience a maturity period of design and application. Rubbers comprise a high proportion of polymer wastes, highly flammable and impossible to re-melt. Polymer composites based on ground tire rubber (GTR) and ethylene-vinyl acetate copolymer (EVA) containing carbon black (CB) (1–50 phr), with variable EVA/GTR weight composition (10/90, 25/75, 50/50, 75/25 and 90/10), and processing temperature (Low:...
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The Environmental Benefits of Photovoltaic Systems: The Impact on the Environment in the Production of Photovoltaic Systems: With a Focus on Metal Recovery
PublicationGreenhouse gases (GHGs) such as carbon dioxide, nitrous oxide and methane, trap heat and energy, thus preventing solar radiation from escaping back into space. As the quantity of greenhouse gases in the atmosphere increases so does the trapped heat and corresponding global temperature. As a result, storms become more violent, droughts more prevalent, glaciers melt, and sea levels rise, to name but a few effects of a rapidly changing...
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Personal branding of artists and art-designers: necessity or desire?
PublicationPurpose Personal branding becomes a new in-demand skill for all professionals today. To be well-known helps to achieve success in the networked business environment. Personal relationships and a good reputation in the reality of network economy help young artists and art designers move up the career ladder. This paper aims to discuss a problem of artists who often find it difficult to define their artistic and self-distinction...
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Combined Single Neuron Unit Activity and Local Field Potential Oscillations in a Human Visual Recognition Memory Task
PublicationGOAL: Activities of neuronal networks range from action potential firing of individual neurons, coordinated oscillations of local neuronal assemblies, and distributed neural populations. Here, we describe recordings using hybrid electrodes, containing both micro- and clinical macroelectrodes, to simultaneously sample both large-scale network oscillations and single neuron spiking activity in the medial temporal lobe structures...
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Heavy Metals in Sediments of Urban Streams: Contamination and Health Risk Assessment of Influencing Factors
PublicationSediments of two urban streams in northern Poland outflowing to the Baltic Sea were assessed to explain the spatial variation in relation to urbanization level of the catchment, the role of retention tanks (RTs) and identification of pollution level. During the 3 month period of investigation sediment samples were collected from the inflow (IN) and outflow (OUT) of six RTs located on streams for flood protection. Six heavy metals...
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Ball milling induced borophene flakes fabrication
PublicationTo fill the knowledge gap for borophene, as the youngest member of the two-dimensional (2D)nanomaterials family, a facile, cost effective, scalable and reproducible fabrication route is still stronglyrequired. Among so far studied techniques the potential of pure mechanical processes such as ballmilling is not explored yet. Therefore, in this contribution, we explore the efficiency...
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Atmospheric deposition in coniferous and deciduous tree stands in Poland
PublicationThe objective of this study was to assess the transformation of precipitation in terms of quantity and chemical composition following contact with the crown layer in tree stands with varied species composition, to investigate the effect of four predominant forest-forming species (pine, spruce, beech, and oak) on the amount and composition of precipitation reaching forest soils, and to determine the sources of pollution in atmospheric...
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Spatio-temporal filtering for determination of common mode error in regional GNSS networks
PublicationThe spatial correlation between different stations for individual components in the regional GNSS networks seems to be significant. The mismodelling in satellite orbits, the Earth orientation parameters (EOP), largescale atmospheric effects or satellite antenna phase centre corrections can all cause the regionally correlated errors. This kind of GPS time series errors are referred to as common mode errors (CMEs). They are usually...
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Monitoring of Caged Bluefin Tuna Reactions to Ship and Offshore Wind Farm Operational Noises
PublicationUnderwater noise has been identified as a relevant pollution affecting marine ecosystems in different ways. Despite the numerous studies performed over the last few decades regarding the adverse effect of underwater noise on marine life, a lack of knowledge and methodological procedures still exists, and results are often tentative or qualitative. A monitoring methodology for the behavioral response of bluefin tuna (Thunnus thynnus)...
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Conversion of waste biomass into activated carbon and evaluation of environmental consequences using life cycle assessment
PublicationIn this article, activated carbon was produced from Lantana camara and olive trees by H3PO4 chemical activation. The prepared activated carbons were analyzed by characterizations such as scanning electron microscopy, energy-dispersive X-ray spectroscopy, Brunauer–Emmett–Teller, X-ray diffraction, thermogravimetric analysis, and Fourier transform infrared spectroscopy. H3PO4 is used as an activator agent to create an abundant pore...
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The electronic excited states of dichloromethane in the 5.8-10.8 eV energy range investigated by experimental and theoretical methods
PublicationWe present a comprehensive experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectrum of dichloromethane, CH 2 Cl 2 , with absolute cross sections determined for the full 5.8–10.8 eV energy-range. The calculations on the vertical excitation energies and oscillator strengths were performed using the equation-of-motion coupled cluster method, restricted to the single and double excitations level (EOM-CCSD), and...
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Association of Genes Related to Oxidative Stress with the Extent of Coronary Atherosclerosis
PublicationOxidative stress is believed to play a critical role in atherosclerosis initiation and progression. In line with this, in a group of 1099 subjects, we determined eight single nucleotide polymorphisms (SNPs) related to oxidative stress (PON1 c.575A>G, MPO c.463G>A, SOD2 c.47T>C, GCLM c.590C>T, NOS3 c.894G>T, NOS3 c.786T>C, CYBA c.214C>T, and CYBA c.932A>G) and assessed the extent of atherosclerosis in coronary arteries based on...
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Solid state versus fiber picosecond infrared lasers applied to two-photon vision tests
PublicationDevelopment of new microperimetric tools dedicated for imaging of early functional changes in the retina may help in the monitoring of various ocular diseases progression e.g. Age-Related Macular Degeneration. Recently described two-photon vision may be applied to microperimetric devices. Many subjects with well-known disease history could be investigated with newly developed instrumentation that tests ability of human eye to perceive...
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Fatigue and burnout in police officers: the mediating role of emotions
PublicationPurpose – The policing profession is associated with psychosocial hazard. Fatigue and burnout often affect police officers, and may impair the functioning of the organization and public safety. The relationship between fatigue and burnout may be modified by job-related emotions. While negative emotions have been extensively studied, the role of positive emotions at work is relatively less known. Additionally, there is insufficient...