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Molecular dynamics and verisimilitude - to what extent can one trust a computational simulation?
PublikacjaFor the last several tens of years, computer simulations have become of undeniable importance. Molecular Dynamics (MD) simulation techniques are used to examine the phenomena which occur at the level that cannot be observed directly. Thus, they can be successfully exploited in many different scientific fields such as: materials science, applied mathematics and theoretical physics, biochemistry, biophysics or drug design. Despite...
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Influence of the addition of citric acid on the physico-chemical properties of poly(sorbitol sebacate-co- butylene sebacate)
PublikacjaThe article presents the results of the physicochemical properties of poly(sorbitol sebacate- co-butylene sebacate) (PSBS) obtained with 0.25; 0.5; 0.75; 1 mol of citric acid (KC). It was shown that PSBS obtained with 0.25 and 0.5 mol KC is characterized by the most optimal mechanical and thermal properties. As a result of the study, it was found that the use of sorbitol and citric acid allows obtaining ester materials with...
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Novel 1,2,3-Triazole Derivatives as Mimics of Steroidal System—Synthesis, Crystal Structures Determination, Hirshfeld Surfaces Analysis and Molecular Docking
PublikacjaHerein, we present the synthesis and crystal structures determination of five 4-(1-phenyl-1H-1,2,3-triazol-4-yl)phenol derivatives containing halogen atoms, 6a–e, which may be used as an excellent mimic of steroids in the drug development process. Good quality crystals obtained for all of the synthesized compounds allowed the analysis of their molecular structures. Subsequently, the determined crystal structures were used to calculate...
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Antibiotic-Based Conjugates Containing Antimicrobial HLopt2 Peptide: Design, Synthesis, Antimicrobial and Cytotoxic Activities
PublikacjaRecent studies have shown that modified human lactoferrin 20−31 fragment, named HLopt2, possesses antibacterial and antifungal activity. Thus, we decided to synthesize and evaluate the biological activity of a series of conjugates based on this peptide and one of the antimicrobials with proven antibacterial (ciprofloxacin, CIP, and levofloxacin, LVX) or antifungal (fluconazole, FLC) activity. The drugs were covalently connected...
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The Metal-Free Regioselective Deuteration of 2-Methylquinolin-8-ol and 2,5-Dimethylquinolin-8-ol, Spectroscopic and Computational Studies
PublikacjaAbstract: Aim and Background: Introducing deuterium to a molecule is of interest to a wide variety of research, including investigation of reaction mechanisms or kinetics, analysis of drug metabolism, structural elucidation of molecules, and syntheses of isotopically labeled materials used for NMR spectroscopy and medicinal research. Objective: The transition-metal-free regioselective deuteration of 2-methylquinolin-8-ol...
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Removal of selected sulfonamides and sulfonamide resistance genes from wastewater in full-scale constructed wetlands
PublikacjaSulfonamides are high-consumption antibiotics that reach the aquatic environment. The threat related to their presence in wastewater and the environment is not only associated with their antibacterial properties, but also with risk of the spread of drug resistance in bacteria. Therefore, the aim of this work was to evaluate the occurrence of eight commonly used sulfonamides, sulfonamide resistance genes (sul1–3) and integrase genes...
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Novel insights into conjugation of antitumor-active unsymmetrical bisacridine C-2028 with glutathione: characteristics of non-enzymatic and glutathione S-transferase-mediated reactions
PublikacjaUnsymmetrical bisacridines (UAs) are a novel potent class of antitumor-active therapeutics. A significant route of phase II drug metabolism is conjugation with glutathione (GSH), which can be non-enzymatic and/or catalyzed by GSH-dependent enzymes. The aim of this work was to investigate the GSH-mediated metabolic pathway of a representative UA, C 2028. GSH supplemented incubations of C-2028 with rat, but not with human, liver...
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Imidazoacridinone antitumor agent C-1311 as a selective mechanism- based inactivator of human cytochrome P450 1A2 and 3A4 isoenzymes.
Publikacja5-Diethylaminoethylamino-8-hydroxyimidazoacridinone (C-1311), a promising antitumor agent that is also active against autoimmune diseases, was determined to be a selective inhibitor of the cytochrome P450 (CYP) 1A2 and 3A4 isoenzymes. Therefore, C-1311 might modulate the effectiveness of other drugs used in multidrug therapy. The present work aimed to identify the mechanism of the observed C-1311-mediated inactivation of CYP1A2...
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Diminshed toxicity of C-1748, 4-methyl-9-hydroxyethylamino-1-nitroacridine, compared with its demethyl analog, C-857, corresponds to its resistance to metabolism in HepG2 cells
PublikacjaThe narrow "therapeutic window" of anti-tumour therapy may be the result of drug metabolism leading to the activation or detoxification of antitumour agents. The aim of this work is to examine (i) whether the diminished toxicity of a potent antitumour drug, C-1748, 9-(2'-hydroxyethylamino)-4-methyl-1-nitroacridine, compared with its 4-demethyl analogue, C-857, results from the differences between the metabolic pathways for the...
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WIND-TU-PLA Projektowanie i analiza systemów posadawiania i kotwiczenia platform morskich turbin wiatrowych dla Bałtyku Południowego
ProjektyProjekt realizowany w Katedra Projektowania Okrętów i Robotyki Podwodnej zgodnie z porozumieniem MARTECII/1/2013 z dnia 2014-02-19
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Knowledge-Grid Modelling for Academic Purposes
PublikacjaNowadays, we face a huge amount of data and information sharing on the Web by different users worldwide. A multidimensional perspective in describing a university ontology seems to be very important for the modelling of higher education resources. This paper proposes a multi-dimensional knowledge model, designed to distribute and manage knowledge resources efficiently. We propose our model as the foundation of an advanced knowledge...
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GPU based implementation of Temperature-Vegetation Dryness Index for AVHRR3 Satellite Data
PublikacjaPaper presents an implementation of TVDI (Temperature-Vegetation-Dryness Index) algorithm on GPU (Graphics Processing Unit). Calculation of this index is based on LST (Land Surface Temperature) and NDVI (Normalized Difference Vegetation Index). Discussed results are based on multi-spectral imagery retrieved from AVHRR3 sensors for area of Poland. All phases of TVDI implementation on GPU are modified in respect to CUDA platform....
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Using Alpha-beta filtration for robustness improvement of a quadrocopter positioning system
PublikacjaQuadrocopter is an unmanned aerial vehicle (UAV) platform. The position of the robot is determined based on readings from an accelerometer and a gyroscope, but the measurement signals contain broadband noise. This article describes a solution for filtering out the noise based on an Alpha – beta filter. It also presents the methodology of designing and implementing such a filter for noise cancellation in measurement signals from...
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Finite element matrix generation on a GPU
PublikacjaThis paper presents an efficient technique for fast generation of sparse systems of linear equations arising in computational electromagnetics in a finite element method using higher order elements. The proposed approach employs a graphics processing unit (GPU) for both numerical integration and matrix assembly. The performance results obtained on a test platform consisting of a Fermi GPU (1x Tesla C2075) and a CPU (2x twelve-core...
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Koncepcja systemu informatycznego dla potrzeb SZwWP
PublikacjaImplementacja zaawansowanego, zintegrowanego systemu sterowania dla potrzeb Systemu Zaopatrzenia w Wodę Pitną (SZwWP), wymaga odpowiednich platform sprzętowych i programowych - systemu informatycznego. Zaproponowane rozwiązania muszą pozwolić na realizację niezbędnych funkcji systemu - sterowania czy monitorowania, zapewniając jednocześnie dużą niezawodność działania oraz bezpieczeństwo przetwarzanych danych. Ponadto wykorzystywana...
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Wiarygodna integracja systemów ESB oraz Web services
PublikacjaW pracy przedstawiono problem wiarygodnej integracji aplikacji rozproszonych z wykorzystaniem technologii Enterprise Service Bus oraz Web services. Przeprowadzono badania trzech platform integracji serwisów: Sun Open ESB, Windows Workflow Foundation oraz Mule ESB wraz z najbardziej popularnymi serwerami Web services. Badania wykazały, że delkarowane i zaimplementowane możliwości współpracy w platformach integracji różnią się w...
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A shared curriculum for daylighting education to meet the educational needs of society
PublikacjaThis article describes the collaborative creation of the curriculum for a new eLearning programme on daylighting design of buildings targeting both traditional and lifelong learners. The programme consists of an online platform integrated with a summer school for practical applications. The process was conducted through several workshops with professionals, representatives of national bodies on building regulations, academics,...
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Modeling and control of a redundantly actuated variable mass 3RRR planar manipulator controlled by a model-based feedforward and a model-based-proportional-derivative feedforward–feedback controller
PublikacjaIn the paper, dynamics of a complex mechatronics system is considered. A redundantly actuated planar manipulator is the base of the mechanical part of it. It is a 3RRR 1 platform based parallel manipulator. To control its trajectory, a model-based feedforward controller is employed. Three aspects are fundamental in the presented investigations. The first focus is on development of an accurate numerical model used to solve the inverse...
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Research project BRIK: development of an innovative method for determining the precise trajectory of a railway vehicle
PublikacjaIn the paper the essential assumptions regarding a research project implemented by a consortium of Gdansk University of Technology and Gdynia Maritime University are presented. The project has been commissioned by National Center of Research and Development with cooperation with Polish Railways (PKP Polskie Linie Kolejowe S.A.). The project is focused in implementation of modern measurement techniques using Global Navigation Positioning...
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Capacity Transforming challenges into opportunities
PublikacjaThe Urban Initiative Laboratory (UIL) aims to upgrade the smart city concept in Gdańsk by introducing the Food-Water-Energy (FWE) nexus to the city. It was agreed in the CRUNCH international consortium that projects on different scales would be implemented in the individual countries to test the Integrated Decision Supportive system platform, which would, in principle, concern urban scale. The regular urban scale was to be researched...
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Wykonanie i zastosowanie układów złożonych z miniaturowych (solid-contact) elektrod jonoselektywnych do badań biomedycznych
PublikacjaW rozprawie doktorskiej przedstawiono konstrukcję i parametry miniaturowych elektrod jonoselektywnych (EJS) użytych do budowy zintegrowanych platform czujnikowych, które mogą mieć potencjalne zastosowanie w badaniach biomedycznych i klinicznych. Wykazano wpływ lepkości roztworu na zakres liniowy pracy EJS oraz wpływ temperatury przechowywania próbek śliny na ich skład jonowy. Praca badawcza obejmowała zaprojektowanie, wykonanie...
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Overcoming carboxylic acid inhibition by granular consortia in high-load liquefied food waste fermentation for efficient lactate accumulation
PublikacjaGranular sludge, a self-aggregating spherical biofilm, possesses better stability compared to flocculent sludge under extreme conditions. This study compared the ability of anaerobic granular sludge (AnGS) and flocculent waste activated sludge (WAS) to convert food waste (FW) into highly-valuable optically active lactic acid (LA), a central and versatile intermediate platform molecule. Different loadings (30–60 g volatile suspended...
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Kazimierz Darowicki prof. dr hab. inż.
OsobyProf. dr hab. inż. Kazimierz Darowicki studia wyższe ukończył w czerwcu 1981 roku. Już w marcu 1981 roku został zatrudniony na Wydziale Chemicznym Politechniki Gdańskiej. Na Wydziale Chemicznym przeszedł kolejne szczeble rozwoju do stanowiska profesora zwyczajnego i kierownika Katedry Elektrochemii, Korozji i Inżynierii Materiałowej włącznie. W działalności naukowej reprezentuje nauki techniczne, a jego specjalność naukowa i zawodowa...
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Optoelectronic investigation of nanodiamond interactions with human blood
PublikacjaWe present optoelectronic investigation of in vitro interactions of whole human blood with different nanodiamond biomarkers. Plasmo-chemical modifications of detonation nanodiamond particles gives the possibility for controlling their surface for biological applications. Optical investigations reveal the biological activity of nanodiamonds in blood dependent on its surface termination. We compare different types of nanodiamonds:...
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Determination of impurities in pharmaceutical products using LC-MS
PublikacjaPharmaceutical products can be contaminated by residues of solvents, reagents (used for the synthesis) or degradation products. Impurities in drug may pose a risk to human health and life, therefore analysis and identification of impurities in pharmaceutical products is veryimportant and inevitable.High performance liquid chromatography coupled with mass spectrometry (MS) is very useful technique for identification impurities in...
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Molecular dynamics studies of polyurethane nanocomposite hydrogels
PublikacjaPolyurethane PEO-based hydrogels have a broad range of biomedical applicability. They are attractive for drug-controlled delivery systems, surgical implants and wound healing dressings. In this study, a PEO based polyurethane hydrogels containing Cloisite R 30B, an organically modified clay mineral, was synthesized. Structure of nanocomposite hydrogels was determined using XRD technique. Its molecular dynamics was studied by means...
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Selected Methods for the Chemical Phosphorylation and Thiophosphorylation of Phenols
PublikacjaThis Focus Review gathers together a selection of methods for the chemical phosphorylation of phenols that employ three‐ and four‐coordinate phosphorus compounds. Phosphorylated scaffolds can exhibit enhanced properties compared to their non‐phosphorylated analogues, such as increased biological activity and increased/decreased solubility; as such, phosphorus compounds have gained more and more interest in organic and medicinal...
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High-Precision FIR-Model-Based Dynamic Weighing System
PublikacjaConveyor belt-type checkweighers are increasingly popular components of modern production lines. They are used to assess the weight of the produced items in motion, i.e., without stopping them on the weighing platform. The main challenge one faces when designing a dynamic weighing system is providing high measurement accuracy, especially at high conveyor belt speeds. The approach proposed in this paper can be characterized as a...
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Reliable underwater communication system for shallow coastal waters
PublikacjaThis paper presents a reliable and robust low data rate spread spectrum approach which is implemented in the acoustic underwater communication system for shallow coastal waters. It shows operation assumptions of spread spectrum techniques based on the wellknown Shannon equation. It describes two methods of spread spectrum: frequency hopping spread spectrum and direct sequence spread spectrum; their block diagram and their characteristics...
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Implementation of TVDI calculation for coastal zone
PublikacjaPaper will show an implementation of TVDI (Temperature-Vegetation-Dryness Index) algorithm on GPU (Graphics Processing Unit). Calculation of this index is based on LST (Land Surface Temperature) and NDVI (Normalized Difference Vegetation Index). Discussed results are based on multi-spectral imagery retrieved from AVHRR3 sensors for area of Poland, especially from region of Gdańsk coastal zone. All phases of TVDI implementation...
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Characteristics of an image sensor with early-vision processing fabricated in standard 0.35 µm CMOS technology
PublikacjaThe article presents measurement results of prototype integrated circuits for acquisition and processing of images in real time. In order to verify a new concept of circuit solutions of analogue image processors, experimental integrated circuits were fabricated. The integrated circuits, designed in a standard 0.35 µm CMOS technology, contain the image sensor and analogue processors that perform low-level convolution-based image...
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WSN for intelligent street lighting system
PublikacjaIn this article authors propose to apply WSN to intelligent street lighting system. As a result of such a combination one obtains a system designed to increase functionality of light installations for a wide range of applications and introduce a platform for new additional services, which meets current and future user needs. The system is composed of WSN nodes integrated with light sources based on high power LED diodes, which...
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Ocena wykorzystywania komunikatorów w systemach zdalnego nauczania
PublikacjaW referacie wskazano na korzyści dla uczestników kursów i właścicieli platform zdalnego nauczania wynikające z korzystania z komunikatorów. Wykazano, że brak kompatybilności poszczególnych klasycznych rozwiązań jest na tyle uciążliwy, ze dla systemów zdalnego nauczania należy znaleźć rozwiązanie, które obsługiwałoby wszystkie komunikatory. Omówiono więc dwie nowe, tworzone w ramach IETF propozycje standardów komunikatorów: XMPP...
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Inference Mechanisms for Knowledge Management System in E-health Environment
PublikacjaW artykule zaprezentowano badania i ich wyniki osiągnięte w trakcie prac na systemem zarządzania wiedzą dla systemu typu e-health PIPS (ang. Personalised Information Platform for Life and Health Services)Opisano warstwę semantyczną systemu zarządzania wiedzą, a w szczególności skoncentrowano się na silniku wnioskującym.Poddano dyskusji następujące zagadnienia: analizę dostępnych narzędzi wnioskujący i ich zgodności ze standardem...
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UWB-Based Indoor Navigation in a Flexible Manufacturing System Using a Custom Quadrotor UAV
PublikacjaA novel solution for indoor navigation of a transportation drone in flexible manufacturing is presented in this paper. To address the challenges of accurate and robust drone navigation in occluded environments, an ultra-wideband (UWB) navigation system has been integrated with a commercially available open source control platform. The system offers high accuracy (± 20 mm), low power consumption, resistance to electronic interference,...
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Review on Wikification methods
PublikacjaThe paper reviews methods on automatic annotation of texts with Wikipedia entries. The process, called Wikification aims at building references between concepts identified in the text and Wikipedia articles. Wikification finds many applications, especially in text representation, where it enables one to capture the semantic similarity of the documents. Also, it can be considered as automatic tagging of the text. We describe typical...
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Low-coherence photonic method of electrochemical processes monitoring
PublikacjaWe present an advanced multimodality characterization platform for simultaneous optical and electrochemical measurements of ferrocyanides. Specifcally, we combined a fber-optic Fabry– Perot interferometer with a three-electrode electrochemical setup to demonstrate a proof-ofprinciple of this hybrid characterization approach, and obtained feasibility data in its monitoring of electrochemical reactions in a boron-doped diamond flm...
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Correction of determined coordinates of railway tracks in mobile satellite measurements
PublikacjaThis article examines one of the basic issues related to the technique of mobile satellite measurements in railway tracks. This problem concerns the correction of the determined coordinates of the track centerline. The need to perform this operation results from the GNSS receivers positioning at a certain height above the level of the existing track axis, leading to longitudinal and lateral shifts of antennas. The key problem here...
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Applicability of phenolic acids as effective enhancers of cocrystals solubility of methylxanthines
PublikacjaApplicability of phenolic acids as potential cocrystal formers for methylxanthine derivatives was analyzed both in terms of cocrystallization probabilities and solubility advantage. The cocrystal formation abilities were evaluated using mixing enthalpy estimated within the conductor like screening model for real solvents (COSMO-RS) framework. The solubility improvement of potential cocrystals was estimated by formulation of the...
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Miniaturized passive emission test chamber for in-situ measurement of emissions of organic compounds
PublikacjaThe results of many different studies have demonstrated unequivocally that the quality of indoor air is often much worse than that of atmospheric air (outdoor). One of the main groups of chemical compounds present in indoor air, with proven harmfulness to health,are volatile organic compounds (VOCs). VOCs present indoor comprise a wide variety of hydrocarbons and hydrocarbons derivatives including aliphatic, aromatics, alkylbenzens,...
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Magnetic superhydrophobic melamine sponges for crude oil removal from water
PublikacjaThis paper proposes the preparation of a new sorbent material based on melamine sponges (MS) with superhydrophobic, superoleophilic, and magnetic properties. This study involved impregnating the surface of commercially available MS with eco-friendly deep eutectic solvents (DES) and Fe3O4 nanoparticles. The DES selection was based on the screening of 105 eutectic mixtures using COSMO-RS modeling. Other parameters affecting the efficiency...
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Theoretical and Experimental Studies on the Visible Light Activity of TiO2 Modified with Halide-Based Ionic Liquids
PublikacjaFormation of a surface complex between organic molecules and TiO2 is one of the possible strategies for the development of visible light-induced TiO2 photoactivity. Herein, three ionic liquids (ILs) with the same cation and dierent anions (1-butylpirydynium chloride/bromide/iodide) have been applied for the surface modification of TiO2 and to understand the role of anions in visible light-induced activity of ILs-TiO2 systems. Photocatalytic...
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Low frequency of itraconazole resistance found among avian Aspergillus fumigatus isolates
PublikacjaAspergillus fumigatus is the most frequent etiological factor of invasive aspergillosis in human as well as animals, including birds. Aspergillosis caused by drug-resistant strains poses a significant therapeutic issue, especially if resistance pattern includes insensitivity to triazoles, i.e. drugs recommended for the primary therapy purposes. Majority of resistant isolates hold the TR34/L98H...
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Voriconazole-Based Salts Are Active against Multidrug-Resistant Human Pathogenic Yeasts
PublikacjaVoriconazole (VOR) hydrochloride is unequivocally converted into VOR lactates and valinates upon reaction with silver salts of organic acids. This study found that the anticandidal in vitro activity of these compounds was comparable or slightly better than that of VOR. The Candida albicans clinical isolate overexpressing CaCDR1/CaCDR2 genes, highly resistant to VOR, was apparently more susceptible to VOR salts. On the other hand,...
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Antifungal dipeptides incorporating an inhibitor of homoserine dehydrogenase
PublikacjaThe antifungal activity of 5‐hydroxy‐4‐oxo‐L‐norvaline (HONV), exhibited under conditions mimicking human serum, may be improved upon incorporation of this amino acid into a dipeptide structure. Several HONV‐containing dipeptides inhibited growth of human pathogenic yeasts of the Candida genus in the RPMI‐1640 medium, with minimal inhibitory concentration values in the 32 to 64 μg mL−1 range. This activity was not affected by multidrug...
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Application of bioassays in studies on the impact of pharmaceuticals on the environment
PublikacjaDrug interactions are often desirable particularly in medicine, when treatment of a patient requires using a mixture of drugs in specific doses to produce the adequate therapeutic effect. Unfortunately, interactions between drugs in the environment are not as desirable, despite the fact that drugs are present in the environment at low concentration levels [1]. Pharmaceuticals are present in the environment in a mixture of compounds,...
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Determination of Toxicological Parameters of Selected Bioactive Organic Chemicals Using the Ostracodtoxkit FTM
PublikacjaAssessment of the impact of pharmaceutical residues on living organisms is very complex subject. Apart from taking into account the toxicity of individual compounds also their presence in mixtures should be taken into account. In this work, attempts were made to assess the ecotoxicity of biologically active substances (with 50 % effective concentration (EC50) values growing from fluoxetine (EC50 = 4.431 nM) >> gemfibrozil ≈ 17α-ethinylestradiol...
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Urinary Tract Infections Caused by K. pneumoniae in Kidney Transplant Recipients – Epidemiology, Virulence and Antibiotic Resistance
PublikacjaUrinary tract infections are the most common complication in kidney transplant recipients, possibly resulting in the deterioration of a long-term kidney allograft function and an increased risk of recipient’s death. K. pneumoniae has emerged as one of the most prevalent etiologic agents in the context of recurrent urinary tract infections, especially with multidrug resistant strains. This paper discusses the epidemiology and risk...
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Tracing of dynamic objects in distributed interactive simulation systems
PublikacjaDistributed interactive simulation systems require integration of several areas of computer science and applied mathematics to enable each individual simulation object to visualize effectively dynamic states of other objects. Objects are unpredictable,i.e., controlled by their local operators, and are remote, i.e., must rely on some transmission media to visualize dynamic scene from their local perspectives. The paper...
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Glucosamine-6-phosphate synthase with an oligoHis insert
PublikacjaGlucosamine-6-phosphate (GlcN-6-P) synthase known also as L-Glutamine: D-fructose-6-phosphate aminotransferase (EC 2.6.1.16), catalyzes the first committed step in the amino sugar biosynthetic pathway in prokaryotic and eukaryotic organisms. The final product of this pathway is an activated precursor of numerous macromolecules containing amino sugars, including chitin and mannproteins in fungi, peptydoglican and lipopolysaccharides...