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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublikacjaIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Evidence for consolidation of neuronal assemblies after seizures in humans
PublikacjaThe establishment of memories involves reactivation of waking neuronal activity patterns and strengthening of associated neural circuits during slow-wave sleep (SWS), a process known as "cellular consolidation" (Dudai and Morris, 2013). Reactivation of neural activity patterns during waking behaviors that occurs on a timescale of seconds to minutes is thought to constitute memory recall (O'Keefe and Nadel, 1978), whereas consolidation...
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A Highly Selective Biosensor Based on Peptide Directly Derived from the HarmOBP7 Aldehyde Binding Site
PublikacjaThis paper presents the results of research on determining the optimal length of a peptide chain to eectively bind octanal molecules. Peptides that map the aldehyde binding site in HarmOBP7 were immobilized on piezoelectric transducers. Based on computational studies, four Odorant Binding Protein-derived Peptides (OBPPs) with dierent sequences were selected. Molecular modelling results of ligand docking with selected peptides were...
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Probabilistic seismic assessment of RC box-girder highway bridges with unequal-height piers subjected to earthquake-induced pounding
PublikacjaThis paper uses the probabilistic seismic assessment to study the effects of pounding and irregularity on the seismic behavior of typical concrete box-girder bridges with four levels of altitudinal irregularity. To extend the results for all bridges in the same class, uncertainty related to the earthquake, structural geometries, and materials are considered. Pounding is likely to take place in two cases: the first one concerns...
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Spatiotemporal dynamics of the active perirheic zone in a natural wetland floodplain
PublikacjaAbstract The ecologically and biogeochemically significant perirheic zone is a part of the floodplain where waters originating from both the river and adjacent floodplain are present. In this study, we investigate the spatiotemporal dynamics of the active perirheic zone, i.e. river and floodplain waters and their transient mixing extent. This is achieved by using the Hydraulic Mixing-Cell method, a complement to a fully integrated...
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Association of Genes Related to Oxidative Stress with the Extent of Coronary Atherosclerosis
PublikacjaOxidative 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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Invasive Assessment of the Myocardial Microcirculation during Beating Heart Coronary Artery Bypass Grafting
PublikacjaCoronary artery bypass grafting may be associated with several cardiac complications, including ischemia, acute myocardial infarction, arrhythmias, or hemodynamic instability. Accumulating evidence suggests that well-developed coronary collateral circulation may protect against adverse effects, including myocardial ischemia. Assessment of myocardial microvascular perfusion is, therefore, of great clinical interest in beating heart...
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Degree of monopoly and market power vs. price flexibility in Polish economy: empirical analysis based on COICOP classification
PublikacjaResearch background: The issue of price flexibility is crucial in the economy both in the aspect of company theory and its macroeconomic consequences. In a number of publications, the sources of variable price flexibility are linked to the market power of enterprises as well as the market structure that has developed in a given branch. It is difficult to indicate empirical studies that would state clearly whether price flexibility...
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Emissions of selected monoaromatic hydrocarbons as a factor affecting the removal of single-use polymer barbecue and kitchen utensils from everyday use
PublikacjaThe main focus of this study is the emission of monoaromatic hydrocarbons because these are the preliminary factors of potential solvent and monomer residues present in single-use plastic barbecue and kitchen utensils comprising polystyrene, polypropylene, natural cellulose, and biodegradable polymers intended for use with hot meal or beverages. Herein, the emissions of monoaromatic hydrocarbons (styrene, benzene, toluene, ethylbenzene,...
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Bee Bread Exhibits Higher Antimicrobial Potential Compared to Bee Pollen
PublikacjaThis study aimed at investigation of the antimicrobial potential of ethanolic extracts of bee bread (BB) and bee pollen (BP) and suspensions of these products in MHB (Mueller Hinton Broth). We covered 30 samples of BP and 19 samples of BB harvested in Polish apiaries. Slightly lower activity was observed against Gram-negative bacteria compared to Gram-positive staphylococci. BB extracts exhibited higher inhibitory potential with...
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Series-Slot-Fed Circularly Polarized Multiple-Input-Multiple-Output Antenna Array Enabling Circular Polarization Diversity for 5G 28-GHz Indoor Applications
PublikacjaIn this paper, a four-element circularly polarized series-slot-fed multiple-input-multiple-output (MIMO) antenna array with circular polarization diversity is presented. The proposed design utilizes a combination of 45-degree inclined slots and a straight microstrip line feeding technique. The two antennas are designed to operate with the opposite sense of circular polarization (CP). CP is achieved by placing a patch of just about...
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Measured and predicted freeze-thaw days frequencies in climate change conditions in central Poland
PublikacjaThe rate of progression of geomorphological phenomena is greatly influenced by freeze-thaw processes. In the face of air temperature increasing over the past few decades, a question of the future impact of these processes arises, notably in the temperate and cold climate zones. Using the mean, maximum and minimum daily air temperature data in the period 1951–2018 obtained from three weather stations located in the vicinity of Jeziorsko...
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Comparative study on total nitrogen prediction in wastewater treatment 1 plant and effect of various feature selection methods on machine learning algorithms performance
PublikacjaWastewater characteristics prediction in wastewater treatment plants (WWTPs) is valuable and can reduce the number of sampling, energy, and cost. Feature Selection (FS) methods are used in the pre-processing section for enhancing the model performance. This study aims to evaluate the effect of seven different FS methods (filter, wrapper, and embedded methods) on enhancing the prediction accuracy for total nitrogen (TN) in the WWTP...
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PLA–Potato Thermoplastic Starch Filament as a Sustainable Alternative to the Conventional PLA Filament: Processing, Characterization, and FFF 3D Printing
PublikacjaThe growing popularity of the fused filament fabrication (FFF) 3D printing technology in science, industry, and in-home use is associated with an increased demand for high-quality polymer filaments. This study presents an in-depth characterization and analysis of a self-made bio-based polylactide (PLA)/thermoplastic potato starch (TPS) filament dedicated for the FFF 3D printing technology. The obtained results were compared with...
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Reverberation divergence in VR applications
PublikacjaThe aim of this project was to investigate the correlation between virtual reality (VR) imagery and ambisonic sound. With the increasing popularity of VR applications, understanding how sound is perceived in virtual environments is crucial for enhancing the immersiveness of the experience. By examining the relationship between visual scenes and sound scenes, this research attempts to explore how the interaction between vision and...
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Flow Maps and Flow Patterns of R1233zd(E) in a Circular Minichannel at Low, Medium and High Values of Saturation Pressure
PublikacjaThere is a gap in knowledge regarding the flow pattern of low-boiling working fluids in the range of high saturation temperatures (above 120°C) and medium and high reduced pressures (0.5-0.9). Data are present in the literature for similar values of reduced pressures, but for lower values of saturation temperature. This is due to the existing refrigeration applications of these working fluids. At high values of reduced pressure,...
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Assessment of Sewage Molecular Markers: Linear Alkylbenzenes in Sediments of an Industrialized Region in Peninsular Malaysia
PublikacjaIn this study, the use of linear alkylbenzenes (LABs) was employed to pinpoint the sources of human activity that cause detrimental impacts on the coastal environment and river ecosystems. LABs were detected using GC–MS in sediment samples assembled from Kim Kim River (KKR) and the Port Dickson coast (PDC). To assess the significance of variations in the distribution and concentrations of LABs across the sampling sites, this study...
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Microcrack monitoring and fracture evolution of polyolefin and steel fibre concrete beams using integrated acoustic emission and digital image correlation techniques
PublikacjaThe use of polymer and steel fibres in plain concrete appears to be an excellent solution for limiting crack propagation and improving the post-ductility performance of concrete structures. Based on this premise, this study investigated the fracture evolution of polyolefin fibre-reinforced concrete (PFRC) and steel fibre-reinforced concrete (SFRC) specimens through the integrated application of two diagnostic techniques, acoustic...
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Thermal dewetting as a method of surface modification of the gold thin films for surface plasmon resonance based sensor applications
PublikacjaHere, we report a quick and simple approach with low, optimized production costs to obtain surface plasmon resonance (SPR) based sensors fabricated through a time- and resource-effective method based on thermal dewetting of thin Au films. From the applicative point of view, the method of detection presented here should be easier to implement, since light transmission measurements seem to be much less challenging than light refractive...
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Influence of a Lighting Column in the Working Width of a W-Beam Barrier on TB51 Crash Test
PublikacjaRoad equipment, such as, e.g., road safety barriers and lighting columns, are subject to certification according to the EN1317 standard to be allowed for use on European roads. In engineering practice, due to the terrain conditions, there are cases where other road equipment is installed within the working width of road safety barriers. Such situations are not considered during the certification process. Hence, the aim of this...
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Effective Air Quality Prediction Using Reinforced Swarm Optimization and Bi-Directional Gated Recurrent Unit
PublikacjaIn the present scenario, air quality prediction (AQP) is a complex task due to high variability, volatility, and dynamic nature in space and time of particulates and pollutants. Recently, several nations have had poor air quality due to the high emission of particulate matter (PM2.5) that affects human health conditions, especially in urban areas. In this research, a new optimization-based regression model was implemented for effective...
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Rethinking Sustainable Cities at Night: Paradigm Shifts in Urban Design and City Lighting
PublikacjaSince the establishment of the 17 Sustainable Development Goals (SDGs) by the United Nations General Assembly in 2015, various perspectives on sustainable cities have been developed and adopted in order to achieve a better and more sustainable future. However, background research has revealed that these goals and targets are limited because they do not take into account the growing body of lighting-related research in diverse fields...
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Nutritional and Pharmaceutical Properties of Bioactive Compounds in Organic and Conventional Growing Kiwifruit
PublikacjaThe bioactivity of two kiwifruit’s cultivars growing under organic and conventional conditions were studied and compared. The bioactive compounds were extracted with water and ethanol using similar conditions which are applied in pharmaceutical applications and for daily fruit consumption such as tea drink. Antioxidant radical scavenging assays [ferric-reducing/antioxidant power (FRAP); cupric reducing antioxidant capacity (CUPRAC);...
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On the Possibility of the Amphotericin B-Sterol Complex Formation in Cholesterol- and Ergosterol-Containing Lipid Bilayers: A Molecular Dynamics Study
PublikacjaAmphotericin B (AmB) is a well-known membrane-active antibiotic that has been used to treat systemicfungal infections for more than 45 years. Therapeutic application of AmB is based on the fact that it is moreactive against ergosterol-containing membranes of fungal cells than against mammalian membranes withcholesterol. In this paper, we examine the hypothesis according to which the selectivity of the AmB's membraneaction originates...
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Seismic damage diagnosis in adjacent steel and RC MRFs considering pounding effects through improved wavelet-based damage-sensitive feature
PublikacjaThis paper aims to propose complex Morlet (cmorfb-fc) wavelet-based refined damage-sensitive feature (rDSF) as a new and more precise damage indicator to diagnose seismic damages in adjacent steel and Reinforced Concrete (RC) Moment Resisting Frames (MRFs) assuming pounding conditions using acceleration responses. The considered structures include 6- and 9-story steel and 4- and 8-story RC benchmark...
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Quality Control for the BPG Lossy Compression of Three-Channel Remote Sensing Images
PublikacjaThis paper deals with providing the desired quality in the Better Portable Graphics (BPG)-based lossy compression of color and three-channel remote sensing (RS) images. Quality is described by the Mean Deviation Similarity Index (MDSI), which is proven to be one of the best metrics for characterizing compressed image quality due to its high conventional and rank-order correlation with the Mean Opinion Score (MOS) values. The...
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Cluster donation: How medical students bound certain types of tissues and biomedical research and how it affects their willingness to donate.
PublikacjaAlthough biomedical research requires cooperation with a large number of donors, its success also depends on the input of healthcare professionals who play a crucial role in promoting biomedical research and influencing an individual’s decision to donate one’s biospecimens that are left over after a medical procedure. This work was aimed at investigating the correlation between medical and healthcare students’ willingness to...
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Hardware implementation of digital image stabilization using optical flow algorithm and FPGA technology
PublikacjaW artykule przedstawiono efektywną procedurę uproszczenia algorytmu przepływu optycznego oraz jego realizację w układzie programowalnym FPGA. Zmodyfikowany algorytm wykorzystuję metodę blokowego dopasowania podobszarów oraz jednowymiarową reprezentację podobszarów. Dodatkowo, funkcja korelacji oparta jest o normę L1. W rezultacie uzyskano zmniejszenie zużytych zasobów kosztem nieznacznej utraty dokładności. Zarówno dokładność,...
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Follow-up assessment of the microvascular function in patients with long COVID
PublikacjaLong COVID is a complex pathophysiological condition. However, accumulating data suggests that COVID-19 is a systemic microvascular endothelial dysfunction with different clinical manifestations. In this study, a microvascular function was assessed in long COVID patients (n = 33) and healthy controls (n = 30) using flow-mediated skin fluorescence technique (FMSF), based on measurements of nicotinamide adenine dinucleotide fluorescence...
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Justification of models of changing project environment for harvesting grain, oilseed and legume crops
PublikacjaAn analysis of the condition of implementation of projects in agricultural production is carried out. The disadvantages of existing methods and models of planning of the content and time of execution of works in the projects, which mostly do not take into account the changing components of their project environment, are substantiated. The proposed methodology for justifying the models of a changing project environment for harvesting...
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A Planar-Structured Circularly Polarized Single-Layer MIMO Antenna for Wideband Millimetre-Wave Applications
PublikacjaIn this paper, a simple geometry, planar-structured printed multiple-input-multiple-output (MIMO) antenna utilizing dual circular polarization (CP) is presented. The proposed numerically and experimentally validated design features a fully grounded coplanar waveguide (CPW) and a systematically perturbed feedline radiator. The fringing electric (E) field along the feedline is altered by extruding periodic stubs on each side of the...
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A Compact Circularly Polarized Dielectric Resonator Antenna with MIMO Characterizations for UWB Applications
PublikacjaUltra-wideband (UWB) technology is extensively used in indoor navigation, medical applications, and Internet of Things (IoT) devices due to its low power consumption and resilience against multipath fading and losses. This paper examines a multiple input multiple-output (MIMO), circularly polarized (CP) dielectric resonator antenna (DRA) for UWB systems. Compact form factor, high gain, wideband response, improved port isolation,...
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Quasi-one-dimensional exchange interactions and short-range magnetic correlations in CuTeO4
PublikacjaCuTeO4 has been proposed as a crystallographically distinct, yet electronic structure analog, of the superconducting cuprates. Here, we present a detailed characterization of the physical properties of CuTeO4 to address this proposal. Fitting of magnetic susceptibility data indicates unexpected quasi-one-dimensional, antiferromagnetic correlations at high temperature, with a nearest-neighbor Heisenberg exchange of 1=164(5) K....
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Determination of MDPBP in postmortem blood samples by gas chromatography coupled with mass spectrometry
PublikacjaMDPBP (1-(3,4-methylenedioxyphenyl)-2-(1-pyrrolidinyl)-1-butanone) is a new psychoactive substance sold on the black market. It has been a controlled drug of abuse in Poland and China since 2015 as some toxic and fatal cases connected with use of synthetic cathinone derivatives were observed. The fatal case outlined here concerns a 19 year-old man, who was found dead with an envelope containing white powder lying nearby the cadaver....
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A novel analytical approach in the assessment of unprocessed Kaffir lime peel and pulp as potential raw materials for cosmetic applications
PublikacjaVolatile fraction of fruits is a rich source of bioactive and aroma compounds, which can be used in the cosmetics industry after meeting relevant criteria. This is particularly evident in citrus fruits, especially in Citrus hystrix, in which the headspace consists mainly of terpenes. Due to the insufficient sensitivity of analytical methods, essential oils are used in investigations in contrast to fresh fruits. Therefore, a novel...
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The potential role of bisphenol A in the pathogenesis of polycystic ovary syndrome
PublikacjaPolycystic ovary syndrome (PCOS) is the most common endocrinopathy in women of reproductive age, that lead to infertility, type 2 diabetes and coronary heart disease. Bisphenol A (BPA) is one of the most abundant chemicals produced worldwide and is used as a plasticizer in daily life. Nowadays it is also well know that it can interact with estrogen receptors, androgen receptors and peroxisome proliferatoractivated receptors g (PPARg)....
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Fluorescence studies by quenching and protein unfolding on the interaction of bioactive compounds in water extracts of kiwi fruit cultivars with human serum albumin
PublikacjaThe main aim of this investigation was to characterize new kiwi fruit cultivars after cold storage treatment and to determine the similarities and differences between them, using spectroscopic methods. The chemometric comparison of kiwi fruit cultivars based on physicochemical indices during cold storage was carried out. All kiwi fruit cultivars showed a high level of correlation between the contents of phenolic compounds (polyphenols,...
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The Business Environment of Georgia and Ukraine: Approaches to a Comparative Analysis
PublikacjaThe formation of a favourable business environment and the intensification of entrepreneurial activity on this basis is one of the priorities of economic policy of governments around the world. The aim of this article is to conduct a comparative analysis of some of the characteristics of the business environment of Georgia and Ukraine. The theoretical basis of the study is the understanding of the business environment as a necessary...
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Tuning of microstructure in engineered poly (trimethylene terephthalate) based blends with nano inclusion as multifunctional additive
PublikacjaImmiscible blends and their composites are heterogeneous and have variable morphology due to variation in mesophase regions. Tuning, i.e. controlling the phase dimension is important, thereof we report a “super-combo” effect of multiwalled carbon nanotubes (MWCNTs) in poly (trimethylene terephthalate)/polypropylene (PTT/ PP) blend system. MWCNTs act as a good reinforcing agent and compatibilizer in the otherwise immiscible PTT/...
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Influence of steam cooking on pro-health properties of Small and Large variety of Momordica charantia
PublikacjaSteam cooking is one of the most common preparations of Momordicacharantia dishes. This method improved the tastiness of the fruits but at the same time, some changes occurred in the volatile and non-volatile parts of their food matrices. In this study, for the first time these properties were correlated with the found substances affecting the bioactivity of this fruit. Two varieties of Momordicacharantia were analysed and compared....
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Enhanced-Performance Circularly Polarized MIMO Antenna with Polarization/Pattern Diversity
PublikacjaDesign of a compact wideband circularly polarized (CP) multiple-input multiple-output (MIMO) antenna with polarization diversity is proposed and characterized for off-body communication. The antenna is based on a simple coplanar waveguide (CPW)-fed monopole extension of the microstrip line. The orthogonal field components required by CP are induced using a simply modified right/left side ground plane. In particular, a stub extending...
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The ONETEP linear-scaling density functional theory program
PublikacjaWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
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Investigation of environmental influences to the precise GNNS solutions
PublikacjaThe results presented in this paper concern investigation of environmental influences to GNNS coordinates on the example of ASG-EUPOS network. The problem of the impact of environmental effects is crucial for observing gravity. Satellite systems are not as susceptible to changes in local hydrology or atmospheric effects, although significant influences are clearly visible in the change of coordinates. The authors analyzed daily...
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Mechanical and radiation shielding properties of concrete reinforced with boron--basalt fibers using Digital Image Correlation and X--ray micro--computed tomography
PublikacjaThe paper presents experimental investigations of the radiation shielding, mechanical and fracture properties of concrete reinforced with 5 kg/m3 of novel basalt fibers infused with boron oxide (BBF). However, further studies concerning other dosages i.e. 1 kg/m3, 10 kg/m3, 15 kg/m3 and 20 kg/m3 are currently carried out. Experiments with neutron source revealed that addition of BBF as a dispersed concrete reinforcement could improve...
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Coupling transformation of carbon, nitrogen and sulfur in a long-term operated full-scale constructed wetland
PublikacjaThe coupling transformation of carbon, nitrogen and sulfur compounds has been studied in lab-scale and pilot-scale constructed wetlands (CWs), but few studies investigated full-scale CW. In this study, we used batch experiments to investigate the potentials of carbon, nitrogen and sulfur transformation in a long-term operated, full-scale horizontal subsurface flow wetland. The sediments collected from the HSFW were incubated for...
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In-Reactor Polypropylene Functionalization─The Influence of Catalyst Structures and Reaction Conditions on the Catalytic Performance
PublikacjaTo unravel the relationship between silylene-bridged metallocene catalyst structures and polymerization conditions and their effect on the performance in in-reactor functionalization of polypropylene, the behaviors of rac-Me2Si(2-Me-4-Ph-Ind)2ZrCl2/MMAO, rac-Me2Si(Ind)2ZrCl2, rac-Me2Si(2-Me-4-Ph-Ind)2HfCl2, and rac-Me2Si(Ind)2HfCl2 in propylene/aluminum alkyl-passivated 10-undecen-1-ol copolymerization were compared. Kinetic analysis...
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Adipokine and cytokine levels in patients with adrenocortical cancer, subclinical Cushing's syndrome and healthy controls
PublikacjaIntroduction In recent years researchers have focused at hormonal activity in Cushing’s syndrome (CS) in connection with metabolic disorders and the role of adipokines and cytokines secreted by the adipose tissue. The aim of the study was to investigate levels of adipokines and cytokines in patients with: subclinical CS (SCS) – in relation to hormonal parameters of hypercortisolemia, and, adrenocortical cancer (ACC). Materials...
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Assessment of River Water Quality and Pollution Status Using Physicochemical and Biometrics, Awetu River, Ethiopia
PublikacjaThe surface water is contaminated by a variety of synthetic organic and inorganic compounds, chemicals, and nutrients; due to this reason, the quality of the water resources of Ethiopia is declining at an alarming rate, resulting in severe environmental degradation. The main objective of the study was to recognize the pollution status river for the study area by physicochemical parameters and the extent of microbial environmental...
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Rainwater chemistry composition in Bellsund: Sources of elements and deposition discrepancies in the coastal area (SW Spitsbergen, Svalbard)
PublikacjaDiscrepancies in rainfall chemistry in Bellsund were found to be influenced by the orographic barrier and related to the variability in the inflow of air masses as well as to the distance of sampling sites from the sea and thus the extent of sea spray impact. This study covers measurements of rainfall (P) and air temperature (T), physicochemical parameters (pH, specific electrolytic conductivity (SEC), major ions (Cl , NO3 , SO4...
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Sensitive Demonstration of the Twin-Core Couplers including Kerr Law Non-Linearity via Beta Derivative Evolution
PublikacjaTo obtain new solitary wave solutions for non-linear directional couplers using optical meta-materials, a new extended direct algebraic technique (EDAT) is used. This model investigates solitary wave propagation inside a fiber. As a result, twin couplers are the subject of this study. Kerr law is the sort of non-linearity addressed there. Because it offers solutions to problems with large tails or infinite fluctuations, the resulting...