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Search results for: oxovanadium(iv) complexes
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Peroxymonosulfate-assisted photocatalytic degradation of artificial sweeteners in water
PublicationIn the present study, peroxymonosulfate (PMS) activation was proposed for efficient photocatalytic degradation of aspartame, acesulfame, saccharin, and cyclamate - artificial sweeteners frequently present in wastewaters and surface waters worldwide. The TiO2 nanosheets with exposed {0 0 1} facets were synthesised using the fluorine-free lyophilisation technique as a green concept for the synthesis and used for the photodegradation...
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Analiza konwencjonalnych nośników energii z biomasą do celów grzewczych. Cz. 1. Charakterystyka problemu oraz metodyka badań
PublicationW artykule przedstawiono istotę problemu zastosowania konwencjonalnych źródeł energii (węgla kamiennego, gazu ziemnego, oleju opałowego oraz energii elektrycznej pozyskiwanej z krajowego systemu elektroenergetycznego – KSE) w odniesieniu do odnawialnego źródła energii – OZE (jakie stanowi biomasa). Przedstawiona w artykule metodyka stanowi podstawę ilościowej realizacji analizy ekonomicznej i ekologicznej ww. nośników energii,...
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Analiza konwencjonalnych nośników energii z biomasą do celów grzewczych. Cz. 2. Studium przypadku
PublicationMateriał stanowi kontynuację podjętego przez Autorów problemu. W artykule przedstawiono wyniki analizy ekonomicznej oraz ekologicznej biomasy (pellety), w porównaniu z innymi, powszechnie stosowanymi nośnikami energii (węglem kamiennym, gazem ziemnym, olejem opałowym oraz energią elektryczną wytwarzaną w krajowym systemie elektroenergetycznym – KSE). Powyższą analizę wykonano na przykładzie budynku mieszkalnego, stanowiącego domek...
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Stan i możliwości rozwoju dróg wodnych w regionie
PublicationObecnie stan techniczny większości dróg wodnych w regionie, w tym międzynarodowej drogi wodnej E-70, nie pozwala na prowadzenie żeglugi towarowej na większości jej odcinków. Dla dostosowania polskich dróg wodnych do wymagań określonych w porozumieniu AGN (Europejska Konwencja AGN - Europejskie Porozumienie w Sprawie Wielkich Dróg Żeglownych o Międzynarodowym Znaczeniu) przewidującym, że drogi śródlądowe o znaczeniu międzynarodowym...
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Linear Pantographic Sheets: Existence and Uniqueness of Weak Solutions
Publicationwe address the well-posedness of the planar linearized equilibrium problem for homogenized pantographic lattices. To do so: (i) we introduce a class of subsets of anisotropic Sobolev’s space as the most suitable energy space E relative to assigned boundary conditions; (ii) we prove that the considered strain energy density is coercive and positive definite in E ; (iii) we prove that the set of placements for which the strain...
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Chemometria w analityce chemicznej. II. Kalibracja wielowymiarowa
PublicationArtykuł prezentuje zalety kalibracji wielowymiarowej i zawiera omówienie uzywanych w niej technik chemometrycznych. Celem kalibracji jest znalezienie ilościowej zależności pomiędzy wynikiem (wynikami)pomiaru pewnej cechy (cech) próbki a zawartością w niej określonego analitu. Przy tradycyjnej kalibracji jednowymiarowej wykorzystujemy tylko jedną spośród wielu zarejestrowanych wartości sygnału, podczas gdy w kalibracji wielowymiarowej...
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Rhodotorulic Acid and its Derivatives: Synthesis, Properties, and Applications
PublicationSiderophores are low molecular weight compounds produced by microorganisms to scavenge iron in iron-deficient environments. Rhodotorulic acid (RA), a natural hydroxamate siderophore, plays a vital role in iron acquisition for fungi and bacteria. As the simplest natural hydroxamate siderophore, RA exhibits a high affinity for ferric ions, enabling it to form stable complexes that facilitate iron uptake and transport within microorganisms....
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Ion recognition properties of new pyridine-2,6-dicarboxamide bearing propeller-like pendant residues: multi-spectroscopic approach
PublicationThe synthesis and ion binding properties of new amide derived from propeller-like tris(2-pyridyl)amine and 2,6-pyridinedicarboxylic acid chloride were described. Amide binds divalent metal cations: copper(II), nickel(II), zinc(II), and lead(II) in acetonitrile. In acetonitrile:water mixture (9:1 v/v) amide interacts only with copper(II) and nickel(II) cations forming complexes of 1:1 stoichiometry. It was found that the introduction...
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Synthetic Principles Determining Local Organization of Copolyesters Prepared from Lactones and Macrolactones
PublicationA highly effective and facile technique for catalytic ring-opening copolymerization (cROP) of lactones viz. ε- caprolactone and ε-decalactone with ω-pentadecalactone is being described. The reactions were mediated by Zn- and Cabased tridentate Schiff base complexes and benzyl alcohol as initiator. The catalysts were successfully employed for the preparation of numerous block and random copolymers. To unravel the composition of...
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Influence of Protonation State on the Excited State Dynamics of a Photobiologically Active Ru(II) Dyad
PublicationThe influence of ligand protonation on the photophysics of a ruthenium (Ru) dyad bearing the 2-(1-pyrenyl)-1H-imidazo[4,5-f][1,10]-phenanthroline (ippy) ligand was investigated by time-resolved transient absorption spectroscopy. It was found that changes in the protonation state of the imidazole group led to changes in the electronic configuration of the lowest lying excited state. Formation of the fully deprotonated imidazole...
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Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory.
PublicationTime dependent density functional theory calculations are applied on a series of molecular photocatalysts of the type [(tbbpy)2M1(tpphz)M2X2]2+ (M1 = Ru, Os; M2 = Pd, Pt; X = Cl, I) in order to provide information concerning the photochemistry occurring upon excitation of the compounds in the visible region. To this aim, the energies, oscillator strengths and orbital characters of the singlet and triplet excited states are investigated....
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Integrated spatial and energy planning – importance of a problem for contemporary architects and urban planners with focus on environmental factors
PublicationAlong with respecting basic sustainable development goals, planners will also be obliged to meet more stringent provisions related to energy efficiency in the coming years. In Poland, a crucial year will be 2021, when the EU directive on the energy efficiency of buildings comes into force. In this matter, not only the characteristics of individual objects are of great importance, but their whole complexes and the overall approach...
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The Prospects of Retail Payment Developments in the Metaverse
PublicationIn the age of technological development, rapid technological progress, and the metaverse development in which humans interact with each other and with the environment using virtual real-world metaphors, payment systems may also need to be re-considered. The study aims to find an answer to the question of what should be retail payments in the metaverse and to begin interdisciplinary discussions about...
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Chemometric analysis of UV-Vis spektra of associated forms of Amphotericin B and its derivatives
PublicationPrzedmiotem badań był proces agregacji nowych pochodnych antybiotyku polienowego Amfoterycyny B. Do śledzenia procesu agregacji wykorzystano spektroskopię absorpcyjną w zakresie widzialnym i bliskiego nadfioletu. Zastosowanie zaawansowanych technik chemometrycznych pozwoliło na dogłębną analizę agregacji tych pochodnych, co pozwoliło na wyciągniecie następujacych wniosków: i) w przypadku wszystkich pochodnych przy stężeniach poniżej...
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Experimental investigation on straight and u-bend double tube heat exchanger with active and passive enhancement methods
PublicationAuthors in this work want to demonstrate the possibility to increase the heat transfer efficiency by using simple wire coil inserts to create turbulent flow in the boundary layer as well as air blowing into the annulus of the pipe. In the study, Wilson plot approach was applied in order to estimate heat transfer coefficients for all heat exchanger (HX) configurations. The study focuses on experimental values of heat transfer coefficient...
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Solubilization of keratins and functional properties of their isolates and hydrolysates
PublicationThe keratinous wastes of the textile industry and poultry slaughterhouses may be used as sources of soluble keratins or hydrolysates. This review presents methods for processing raw keratin-based materials into bioproducts with functional and bioactive properties suitable for biomedical, cosmetic, food, and agricultural applications. Soluble keratin can be obtained by thermal treatment in some organic solvents, reduction, or oxidation...
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A study about daylighting knowledge and education in Europe. Results from the first phase of the DAYKE project
PublicationThis paper presents selected results from the first stage of DAYKE (Daylight Knowledge in Europe), a 3- phase project that investigates the knowledge on daylighting in buildings among architecture students and practitioners across Europe. Subjective judgements from 561 students from 8 architecture universities in the EU, collected through two surveys in 2018. The key findings are: (i) the spatial distribution of comfort and mood...
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Complexation of amino acids derivatives in water by calix[4]arene phosphonic acids
PublicationSeries of the calix[4]arene phosphonic acids with various substituents at the lower rim was synthesized. Complexing properties of these receptors towards methyl esters of six amino acids strongly depended on the calix[4]arene conformation flexibility. The complex formation processes were monitored using 1H NMR spectroscopy (deuterated phosphate buffer at pD 7.3, 22 oC) and association constant values were evaluated. Inherently...
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Studies on the influence of β-cyclodextrin derivatives on the physical stability of famotidine
PublicationThe usage of Fourier transform infrared spectroscopy, near infrared spectroscopy, differential scanning calorimetry and microscopy is presented in this work focused on the exploration of the effect of CD on the physical stability of famotidine (FAM). The most significant information was achieved by analysis of the second derivatives ofnear infrared (NIR) spectra recorded. Changes in the shape of spectra derivatives allow...
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Intermolecular Hydrogen Bonding Directed by Aryl–Perfluoroaryl π–π Stacking Interactions
PublicationThe crystal structures of five compounds capable of forming self-complementary hydrogen bonds but crystallizing as catemers or creating more complex crystal structures were compared with their complexes prepared by cocrystallization with perfluoroaryl compounds. The results of X-ray diffraction revealed that in all the cases the π–π stacking interactions caused reorganization of hydrogen bonds and induced creation of the expected...
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Comparative molecular modelling of biologically active sterols
PublicationMembrane sterols are targets for a clinically important antifungal agent – amphotericin B. The relatively specific antifungal action of the drug is based on a stronger interaction of amphotericin B with fungal ergosterol than with mammalian cholesterol. Conformational space occupied by six sterols has been defined using the molecular dynamics method to establish if the conformational features correspond to the preferential interaction...
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APPLICATION OF MAGNETIC NANOPARTICLES FOR WATER TREATMENT
PublicationIn this study magnetic nanoparticles were fabricated and used for water treatment. Nanoparticles were prepared in two ways. The first one involved NiZn ferrite nanoparticles synthesized by co-precipitation of metal cations with sodium hydroxide at high temperature. The second one featured maghemite nanoparticles was prepared by saltassisted solid-state reaction. Modification and functionalization of nanoparticles surface was investigated....
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Fortifications of Hel Peninsula in Poland – history, preservation and contemporary adaptation.
PublicationThe Hel Peninsula fortifications are one of the largest and most interesting historic coastal fortification complexes in Poland. Built from the 1930s until demilitarisation at the end of the Cold War, they are now one of the biggest tourist attractions of the region. The article attempts to describe the history of their development, current state and selected problems related to their protection and adaptation for touristic purposes....
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Insulin-like growth factor type 2 is better than insulin-like growth factor type 1 a survival marker in patients after acute decompensation of heart failure
PublicationIntroduction:A decreased IGF-1 has been found in heart failure (HF). There are no reports assessing IGF-2 in HF, although in vitro study has shown, that IGF-2 stimulates cardiomyocyte proliferation more than IGF-1. The study aim was to compare the IGF-1 and IGF-2 concentration depending on HF exacerbation and annual survival.Material and methods:Among 75 patients hospitalized...
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Doped-TiO2 :a review
PublicationTlenek tytanu(IV) jest efektywnym fotokatalizatorem do oczyszczania wody i powietrza oraz w powierzchniach samoczyszczących. TiO2 wykazuje stosunkowo wysoką reaktywność i stabilność chemiczną pod wpływem promieniowania UV, którego energia jest większa od pasma wzbronionego (3,3 eV dla czystego anatazu). Opracowanie metody otrzymywania fotokatalizatora wykazującego wysoką reaktywność pod wpływem światła widzialnego pozwoli na wykorzystanie...
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Estimation of platinum in environmental water samples with solid phase extraction technique using inductively coupled plasma mass spectrometry
PublicationZoptymalizowano metodykę oznaczania śladowych poziomów stężeń platyny (IV) w oparciu o technikę ekstrakcji do fazy stałej w połączeniu ze spektrometrią mas z plazmą wzbudzoną indukcyjnie. Na etapie wzbogacania platyny wykorzystano żel krzemionkowy modyfikowany grupami aminopropylowymi. Ilościowy odzysk platyny uzyskano poprzez wykorzystanie 1.0 mol L-1 roztworu tiomocznika jako eluenta. Odchylenie standardowe wyników (RSD) było...
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Impacts of Using Exhaust Gas Recirculation and Various Amount of Dimethyl Ether Premixed Ratios on Combustion and Emissions on a Dual-Fuel Compression Ignition Engine
PublicationIn the presented research, the authors dealt with the specific properties of the combustion process of dimethyl ether (DME) in a combustion car (Volkswagen Golf IV) engine AJM 1.9 TDI PDE made by Volkswagen factory. Dimethyl ether is an alternative fuel produced most often from natural gas, which can be used in compression ignition engines as a single fuel or co-burned with diesel oil. This work describes the impacts of using exhaust...
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Effect of Laser Treatment on Intrinsic Mechanical Stresses in Titanium and Some of Its Alloys
PublicationLaser surface treatment conducted at different power levels is an option to modify titanium bone implants to produce nano- and microtopography. However, such processing can lead to excess mechanical stress within the surface layer. This research aims to calculate the level of such residual stresses after the surface processing of Ti grade IV, Ti15Mo, and Ti6Al7Nb alloys with an Nd:YAG laser. Light and scanning electron microscopies...
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Elektrochemiczne magazyny energii - baterie przepływowe typu "redox flow"
PublicationRozwój i wzrost udziału energii odnawialnej, ze względu na kurczące się zasoby konwencjonalnych źródeł energii i ochronę środowiska, jest możliwy tylko dzięki współpracującym z nimi odpowiednim stacjonarnym magazynom energii. Technologia baterii przepływowych (ang. redox flow batteries, RFB) pozwala świetnie zaspokoić tego typu potrzeby ze względu na: (i) wyjątkowo dużą skalowalność układów; (ii) niezależny dobór mocy i pojemności...
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Problemy i wyzwania w zakresie bezpieczeństwa ruchu drogowego w Nowej Dekadzie
PublicationPo wieloletnim okresie systematycznego spadku liczby ofiar śmiertelnych i rannych w wypadkach drogowych w ostatnich kilku latach nastąpiła stagnacja, a nawet odwrócenie tej korzystnej tendencji. Pandemia COVID-19, w wyniku której nastąpiło zmniejszenie mobilności mieszkańców, przyczyniła się do powrotu do tendencji spadkowej liczby ofiar śmiertelnych i ciężko rannych. W artykule przedstawiono prognozę liczby ofiar śmiertelnych...
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Defective TiO2 Core-Shell Magnetic Photocatalyst Modified with Plasmonic Nanoparticles for Visible Light-Induced Photocatalytic Activity
PublicationIn the presented work, for the first time, the metal-modified defective titanium(IV) oxide nanoparticles with well-defined titanium vacancies, was successfully obtained. Introducing platinum and copper nanoparticles (NPs) as surface modifiers of defective d-TiO2 significantly increased the photocatalytic activity in both UV-Vis and Vis light ranges. Moreover, metal NPs deposition on the magnetic core allowed for the effective separation...
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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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Rhodotorulic Acid and its Derivatives: Synthesis, Properties, and Applications
PublicationSiderophores are low molecular weight compounds produced by microorganisms to scavenge iron in iron-deficient environments. Rhodotorulic acid, a natural hydroxamate siderophore, plays a vital role in iron acquisition for fungi and bacteria. As the simplest natural hydroxamate siderophore, it exhibits a high affinity for ferric ions, enabling it to form stable complexes that facilitate iron uptake and transport within microorganisms....
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Syntheses and structures of the first terminal phosphanylphosphido complex of hafnium [cp2hf(cl){η1-(me3si)p-p(net2)2}] and the firstzirconocene-phosphanylphosphinidene dimer [cp2zr{μ2-p-p(net2)2}2zrcp2]
PublicationReactions of (Et2N)2P-P(SiMe3)Li with [Cp2MCl2] (M= Zr, Hf) in toluene or pentane yield the related terminal phosphanylphosphido complexes [Cp2M(Cl){η1-(Me3Si)P-P(NEt2)2}]. The solid statestructure of [Cp2Hf(Cl){η1-(Me3Si)P-P(NEt2)2}] was established by single crystal X-ray diffraction. The reaction of (Et2N)2P-P(SiMe3)Li with [Cp2ZrCl2] in THF or DME solutions leads to the formationof deep red crystals of the first neutral diamagnetic...
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Optical recognition elements: macrocyclic imidazole chromoionophores entrapped in silica xerogel
PublicationMaterials containing new chromoionophores consisting of crown residue and azole moiety as partsof macrocycles were encapsulated by the sol-gel procedure in silica xerogel matrices and proposed aschemical recognition elements especially for such metal ions as Li+, Cs+ and Cu2+. Action of these recognition elements is in principle based on changes of reflectance. The recognition elements containing 21-membered chromogenic...
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Determination of safety indicators of the freight wagons by mobile systems
PublicationThe organization of the movement of freight trains in Ukraine is an important factor in integrating the country’s railway transport into the European system. A situation that requires a significant renewal of the freight wagon park with modern wagons to meet the freight transportation requirements has arisen. Also, a significant drawback of railway transport in Ukraine is the limitation of the speed of trains, which include freight...
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Thermodynamic Studies of Interactions between Sertraline Hydrochloride and Randomly Methylated β-Cyclodextrin Molecules Supported by Circular Dichroism Spectroscopy and Molecular Docking Results
PublicationThe interaction between sertraline hydrochloride (SRT) and randomly methylated β-cyclodextrin (RM β CD) molecules have been investigated at 298.15 K under atmospheric pressure. The method used—Isothermal Titration Calorimetry (ITC) enabled to determine values of the thermodynamic functions like the enthalpy (DH), the entropy (DS) and the Gibbs free energy (DG) of binding for the examined system. Moreover, the stoichiometry coefficient...
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Structural Control of Photoinduced Dynamics in 4H-Imidazole- Ruthenium Dyes
PublicationThe photoinduced dynamics of a series ofterpyridine 4H-imidazole-ruthenium complexes, which constitutea new family of panchromatic dyes, is investigated. Thedynamics involves two excited states localized within the 4Himidazolesphere. Upon MLCT excitation, an excited state ispopulated, which is localized on the central part of the 4Himidazoleligand caused by its nonplanar conformation. Thepopulation of the second excited state is...
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New lanthanide–CB[6] coordination compounds: relationships between the crystal structure and luminescent properties
PublicationThe reaction between cucurbit[6]uril (CB[6]) and lanthanide chlorides (Eu, Sm, Tb and Tm) in acidic aqueous media led to four new structures. The compounds obtained are isostructural with general formula [Ln2(H2O)12(H2O@CB[6])]Cl6(H2O)4 (Ln = Eu3+ (1), Sm3+ (2), Tb3+ (3) and Tm3+ (4)) and crystallize in the P21/c space group. For the complexes with Eu3+, Sm3+ and Tb3+, the luminescent properties in the solid state and aqueous media...
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Synthesis, structural and spectroscopic properties of asymmetric schiff bases derived from 2,3-diaminopyridine
PublicationTwo Schiff base derivatives, 4-(2-amino-3-pyridyliminomethyl)phenol (I) and 3-(2-amino-3- pyridyliminomethyl)nitrobenzene (II ), were synthesised and characterised by spectroscopy. The structure of I was determined by single crystal X-ray diffraction studies. The asymmetric Schiff base derived from 2,3-diaminopyridine selectively recognise transition and heavy metal cations, and some anion. Ligands I and II form stable complexes...
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Advances in mass spectrometry for iron speciation in plants
PublicationIron is an important nutrient essential for plants and critical for human health. The state-of-the art of methods for iron speciation in cereal grains and plant fluids is critically reviewed. Particular attention is given to the latest developments in the coupling of HPLC with the parallel ICP MS and electrospray ionization (ESI) MS/MS detection, usually QTOF MS or Q-Orbitrap MS, for the identification and quantification of iron...
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A novel chemiluminescent immunoassay based on original acridinium ester labels as better solution for diagnosis of human toxoplasmosis than conventional ELISA test
PublicationToxoplasma gondii infection is one of the most common human zoonosis. Laboratory diagnosis of this disease is mainly based on the results of serological methods detecting specific antibodies in the patient’s sera. In this study we aimed to evaluate the performance of a chemiluminescence immunoassay (CLIA) based on the use of a novel immunochemical reagent in the form of the conjugate of original acridinium label (AL) attached to...
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ANALYSIS OF WIND CONDITIONS AROUND A BUILDING DEVELOPMENT AS A PART OF ITS FORM DESIGNING PROCESS, A CASE STUDY
PublicationAerodynamic phenomena that occurs around building developments exert a significant impact on the quality of climate in cities. Environmental wind engineering is a dynamically developing field of knowledge that offers a chance to study and, in consequence, regulates the air flow around buildings and complexes of building developments. The following paper discusses the issue of wind conditions that may be experienced on pedestrian...
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Synteza i badania strukturalne związków kompleksowych miedzi(I) i rtęci(II) z wybranymi ligandami tioamidowymi
PublicationPrzedstawiona rozprawa doktorska poświęcona jest związkom tiokarbonylowym (wybranym tioamidom i tiomocznikom) oraz ich połączeniom kompleksowym z halogenkami miedzi(I) i rtęci(II). Istota i cel takich badań przedstawione są we wstępie pracy. W części teoretycznej opisane zostały kluczowe pierwiastki wchodzące w skład syntezowanych związków kompleksowych (siarka, miedź i rtęć), jak również tioamidy i tiomoczniki. Szczególna uwaga...
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Indeksy demokracji i stan zaawansowania ich rozwoju dla pomiaru jakości demokracji na poziomie lokalnym - Democracy indices and current state of their advancement for measuring quality of democracy at a local level
PublicationJak mierzyć demokrację? Jak ocenić, czy jeden ustrój demokratyczny jest bardziej de-mokratyczny od innego i na jakiej podstawie to stwierdzić? Pomiary jakości demokracji na poziomie państw istnieją już od 1946 roku, a na ich podstawie powstawały indeksy demokracji jak np. Freedom House, Polity IV, czy też Varieties of Democracy. Poza poziomem państw jest zdecydowanie mniej narzędzi tego typu, a istniejące – jak np. Local Autonomy...
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Assessment of metal removal in a surface flow constructed wetland treating landfill leachate
PublicationThe study concerns heavy metal retention and transformation processes in a free water surface constructed wetland treating landfill leachate in a temperate climate. The total effectiveness of heavy metals removal in the analyzed CW was evaluated basing on heavy metals inflow and outflow concentrations. The concentrations of eight heavy metals (Fe, Mn, Zn, Pb, Ni, Cu, Cr, Cd) in landfill leachate (LL) and sediments were measured....
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Structural changes of water caused by non-electrolytes: Volumetric and compressibility approach for urea-like analogues
PublicationHydration of thiourea (TU), hydroxyurea (HU, hydroxycarbamide), acetone (AC, 2-propanone) and dimethyl sulfoxide (DMSO) has been investigated with the help of the volumetric and compression measurement. The apparent molar volumes and the apparent molar isentropic (adiabatic) compression have been calculated from the density and speed of sound data at temperatures ranging from 288.15 to 308.15 K at atmospheric pressure (0.1 MPa)....
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Randomly Functionalized Polyethylenes: In Quest of Avoiding Catalyst Deactivation
PublicationWell-defined randomly functionalized polyolefins produced by catalysis form an interesting class of polymers with great potential for various applications. One of the major challenges for the production of these materials forms the incompatibility of the commonly used electrophilic group 4 metal based catalysts and the desired nucleophilic, especially protic functionalities like hydroxyl and carboxylic acid groups. Although pacification...
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Chemical composition, antioxidant and anticancer effects of the seeds and leaves and indigo (polygonum tinctorium Ait.) Plant
PublicationSeeds and leaves of indigo (Polygonum tinctorium Ait.) plant were investigated and compared with another medicinal plant named prolipid for their properties such as chemical composition, antioxidant, and anticancer effects by Fourier transform infrared, three-dimensional fluorescence spectroscopy, and electrospray ionization-MS in negative mode. It was found that polyphenols, flavonoids, and flavanols were significantly higher...
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The Effect of Sterols on Amphotericin B Self-Aggregation in a Lipid Bilayer as Revealed by Free Energy Simulations
PublicationAmphotericin B (AmB) is an effective but toxic antifungal drug, known to increase the permeability of the cell membrane, presumably by assembling into transmembrane pores in a sterol-dependent manner. The aggregation of AmB molecules in a phospholipid bilayer is, thus, crucial for the drug’s activity. To provide an insight into the molecular nature of this process, here, we report an atomistic molecular dynamics simulation study...