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Hydration of N-Hydroxyurea from Ab Initio Molecular Dynamics Simulations
PublicationN-Hydroxyurea (HU) is an important chemotherapeutic agent used as a first-line treatment in conditions such as sickle cell disease and β-thalassemia, among others. To date, its properties as a hydrated molecule in the blood plasma or cytoplasm are dramatically understudied, although they may be crucial to the binding of HU to the radical catalytic site of ribonucleotide reductase, its molecular target. The purpose of this work...
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Monitoring of volatile organic compounds (VOCs) in atmospheric air. Part I. On-line gas analyzers
PublicationThe paper reviews the subject literature concerning the analytical instruments routinely used for monitoring volatile organic compounds in atmospheric air. The analyzers are classified as stationary or mobile according to their ease of transport. Stationary DOAS (Differential Optical Absorption Spectroscopy) analyzer is characterized, as are MIMS (Membrane Introduction Mass Spectrometry), MESI (Membrane Extraction with Sorbent...
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Modelowanie wybranych konstrukcji przetworników pomiarowych interferometrycznych czujników ciśnienia
PublicationW komunikacie przedstawiono wyniki modelowania wybranych konstrukcji membrany przeprowadzonego za pomocą metody elementów skończonych. Zaprezentowano zależność uzyskiwanych charakterystyk od doboru materiału, wymiarów i kształtu membrany. Przedstawiono kierunki dalszych prac nad konstrukcją omawianego czujnika.
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Potencjometryczne sensory smaku z membranamii polimerowymi
PublicationOmówiono wielkanałowe, potencjometryczne sensory smaku z elektrodami zawierającymi polimerowe membrany ze związkamoi jonoselektywnymi. Wykazano, że te sensory mozna zastosować do rozrózniania produktów podobnych z róznych firm. Wadą ich jest niewystarczająca stabiloność membrany polimerowej.
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Biomechanical properties of 3D-printed bone models
PublicationBone lesions resulting from large traumas or cancer resections can be successfully treated by directly using synthetic materials or in combination with tissue engineering methods (hybrid). Synthetic or hybrid materials combined with bone tissue’s natural ability for regeneration and biological adaptation to the directions of loading, allow for full recovery of its biological functions. Increasing interest in new production methods...
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Dual-Activity Fluoroquinolone-Transportan 10 Conjugates offer alternative Leukemia therapy during Hematopoietic Cell Transplantation
PublicationHematopoietic cell transplantation (HCT) is often considered a last resort leukemia treatment, fraught with limited success due to microbial infections, a leading cause of mortality in leukemia patients. To address this critical issue, we explored a novel approach by synthesizing antileukemic agents containing antibacterial substances. This innovative strategy involves conjugating fluoroquinolone antibiotics, such as ciprofloxacin...
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Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea
Publication1-Benzoylthioureas contain both carbonyl and thiocarbonyl functional groups and are of interest for their biological activity, metal coordination ability and involvement in hydrogen-bond formation. Two novel 1-benzoylthiourea derivatives, namely 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea, C₁₆H₁₆N₂O₃S, (I), and 1-benzoyl-3-(2-hydroxypropyl)thiourea, C₁₁H₁₄N₂O₂S, (II), have been synthesized and characterized. Compound (I) crystallizes...
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Determination of moisture resistance of covered electrodes according to PN-EN ISO 14372
PublicationMoisture present in the electrode covering is one of the sources of diffusible hydrogen in welded joints. In order to study the diffusible hydrogen content in deposited metal, a stand for moisturizing covered electrodes, in accordance with the PN-EN ISO 14372 standard, was built. After the stand was completed, a test of moisturizing the electrodes was carried out and measurements of the diffusible hydrogen content in deposited...
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Isogeometric Shell FE Analysis of the Human Abdominal Wall
PublicationIn this paper a nonlinear isogeometric Kirchhoff-Love shell model of the human abdominal wall is proposed. Its geometry is based on in vivo measurements obtained from a polygon mesh that is transformed into a NURBS surface, and then used directly for the finite element analysis. The passive response of the abdominal wall model under uniform pressure is considered. A hyperelastic membrane model based on the Gasser-Ogden-Holzapfel...
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Lipopolysaccharides: regulated biosynthesis and structural diversity
PublicationThe cell envelope of Gram-negative bacteria contains two distinct membranes, an inner (IM) and an outer (OM) membrane, separated by the periplasm, a hydrophilic compartment that includes a thin layer of peptidoglycan. The most distinguishing feature of such bacteria is the presence of an asymmetric OM with phospholipids located in the inner leaflet and lipopolysaccharides (LPSs) facing the outer leaflet. The maintenance of this...
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Strategy towards the use of ultrafiltration and reverse osmosis for industrial water recovery and reuse as part of the Green Deal Implementation
PublicationIn line with the European Parliament’s Resolution of February 10th, 2021 on the new action plan for a closed economy, most of the activities undertaken in the wastewater treatment process should focus on the search for new technologies that use wastewater as a source of water and nutrients. The paper reviews the concept of water reuse in industrial installations, with special emphasis on the use of membrane technologies for this...
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DIAGNOSTYKA I MONITORING NOWEGO PRZEKRYCIA OPERY LEŚNEJ W SOPOCIE
PublicationW artykule przedstawiono badania stanu wytężenia membrany nowego przekrycia Opery Leśnej w Sopocie. Diagnostykę membrany wykonano w celu sprawdzenia stanu wytężenia paneli z tkanin technicznych. Obliczenia rzeczywistych sił naciągu tkaniny w kierunku wątku i osnowy wykonano poprzez iteracyjne rozwiązanie problemu odwrotnego bazującego na modelu MES paneli i pomiarach deformacji membrany wykonanej przy pomocy laserów skanujących....
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Correlation between structural and electrical properties in highly porous (Y,Sr)(Ti,Nb)O3-delta SOFC anodes
PublicationIn order to find a relationship between structural and electrical properties, niobium and yttrium doped SrTiO3 ceramics were prepared via solid-state reaction. The samples were sintered in hydrogen and air conditions. The samples were also fabricated with a pore-former to obtain highly porous specimens. The electrical properties of Nb-doped SrTiO3 samples and yttrium and niobium co-doped SrTiO3 were compared. The comparable electrical...
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Photocatalysts for Solar Energy Conversion
PublicationPhotocatalytic oxidation over suspended solid photocatalysts (e.g., titanium dioxide) has been proposed as a sustainable process for treatment and purification of water and wastewater as well as the process for photoconversion of solar energy to hydrogen, methane, and other low hydrocarbons. Solar radiation could be used to drive heterogeneous electrochemical reactions at the surface of an optically active photocatalyst (e.g.,...
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Weakly Hydrated Solute of Mixed Hydrophobic–Hydrophilic Nature
PublicationInfrared (IR) spectroscopy is a commonly used and invaluable tool in studies of solvation phenomena in aqueous solutions. Concurrently, density functional theory calculations and ab initio molecular dynamics simulations deliver the solvation shell picture at the molecular detail level. The mentioned techniques allowed us to gain insights into the structure and energy of the hydrogen bonding network of water molecules around methylsulfonylmethane...
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Cell-penetrating peptides – mechanism of transduction and synthesis – short review
PublicationPotential antimicrobial agents may be effective if they are delivered efficiently to their site of action. In many cases, lack of permeability through the cell membrane is the main problem. One of the possible solutions could be a novel intracellular delivery system involving cell-penetrating peptides (CPPs), which may improve the efficiency of many new biophar-maceuticals. Among other things, CPPs are capable of trans-porting...
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Zaawansowane utlenianie odcieków składowiskowych - przegląd metod
PublicationPrzedstawiono rozwiązania unieszkodliwiania odcieków składowiskowych metodami zaawansowanego utleniania, takimi jak: reakcja Fentona, utlenienie ozonem i nadtlenkiem wodoru, utlenienie elektrochemiczne, utlenienie w warunkach nadkrytycznych oraz mokre utlenienie powietrzem. Podstawy teoretyczne tych metod, ich efektywność oraz stosowane reagenty. Uwarunkowania stosowania poszczególnych metod.
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High resolution X-ray diffractometry and reflectometry of semiconductor nano- and micro- structures based on X-ray refractive optics
PublicationIn this thesis proposed, discussed and studied novel synchrotron X-ray diffractometry and reflectometry methods based on a refractive optics. The experimental results obtained from the ID06 beamline at ESRF, Grenoble, France are presented and analyzed in this work to demonstrate a high angular and space resolution in addition to the opportunity to manage in situ and on operando experiments with the help of proposed X-ray optical...
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Preparation and X-ray structures of selected aminium thiosulfates
PublicationVarious types of aminium thiosulfates (1–6), including hydrates and mixed salts, have been obtained by the reaction of ammonium thiosulfate with amines. Tertbutylamine, cyclo-hexylamine and 1,6-diaminohexane gave crystals of (t-BuNH3)2S2O3·H2O (1), (c-C6H11NH3)2S2O3 (3) and {(NH4)2(H3NC6H12NH3)(S2O3)2} (6), respectively, which were investigated by X-ray structural analysis. Extensive hydrogen bonding of the N-H…O and N-H…S type...
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Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study
PublicationFibroin–chitosan composites, especially those containing nanohydroxyapatite, show potential for bone tissue regeneration. The physicochemical properties of these biocomposites depend on the compatibility between their components. In this study, the intermolecular interactions of fibroin and chitosan were analyzed using a molecular dynamics approach. Two types of systems were investigated: one containing acetic acid and the other...
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Interactions of protons with furan molecules studied by collision-induced emission spectroscopy at the incident energy range of 50–1000 eV
PublicationInvestigations of the ion-molecule reactions provide insight into many fields ranging from the stellar wind interaction with interstellar media, up to medicine and industrial applications. Besides the applications, the understanding of these processes is itself a problem of fundamental importance. Thus, interactions of protons with the gas-phase furan molecules have been investigated for the first time in the energy range of 50–1000...
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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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Influence of a lipid bilayer on the conformational behavior of amphotericin B derivatives - A molecular dynamics study.
PublicationAmphotericin B (AmB) is an effective but very toxic antifungal antibiotic. In our laboratory a series of AmB derivatives of improved selectivity of action was synthesized and tested. To understand molecular basis of this improvement, comparative conformational studies of amphotericin B and its two more selectivederivatives were carried out in an aqueous solution and in a lipid membrane. These molecular simulation studies revealed...
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Recent advances in aqueous virus removal technologies
PublicationThe COVID-19 outbreak has triggered a massive research, but still urgent detection and treatment of this virus seems a public concern. The spread of viruses in aqueous environments underlined efficient virus treatment processes as a hot challenge. This review critically and comprehensively enables identifying and classifying advanced biochemical, membrane-based and disinfection processes for effective treatment of virus-contaminated...
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Splice variants of mitofusin 2 shape the endoplasmic reticulum and tether it to mitochondria
PublicationIn eukaryotic cells, different organelles interact at membrane contact sites stabilized by tethers. Mitochondrial mitofusin 2 (MFN2) acts as a membrane tether that interacts with an unknown partner on the endoplasmic reticulum (ER). In this work, we identified the MFN2 splice variant ERMIT2 as the ER tethering partner of MFN2. Splicing of MFN2 produced ERMIT2 and ERMIN2, two ER-specific variants. ERMIN2 regulated ER morphology,...
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Investigation of the electrochemical behaviour of AA1050 aluminium alloy in aqueous alkaline solutions using Dynamic Electrochemical Impedance Spectroscopy
PublicationThe paper presents the electrochemical behaviour of aluminium alloy AA1050 in aqueous alkaline media in the pH range 14–8.5. Electrochemical study was applied in order to obtain comprehensive information on the mechanism and kinetics of the process of anodic dissolution of aluminium, supplemented by monitoring of surface topography using an electron microscope. The corrosion rate of AA1050 increases with increasing concentration...
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Corrosion and Cavitation Resistances of Low Alloy Steel After Frictional-Mechanical Treatment
PublicationPaper presents the results of the studies of wear, corrosion and cavitation resistances of the S355J2 low alloy medium carbon steel subjected to surface modification by friction-mechanical treatment, as tested in sea water simulated solution. To evaluate the effect of the surface treatment, the comparative studies of the corrosive properties of the steel before and after treatment have been considered. The treatment due to a severe...
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Sztuczne oscylatory membranowe
PublicationOmówiono oscylatory homogeniczne, heterogeniczne wśród których znajdują się oscylatory z membranami polimerowymi oraz z membraną ciekłą. Sztuczne oscylatory membranowe mogą stanowić modele złożonych oscylacyjnych procesów biologicznych zachodzących w organizmach żywych. Przedstawiono możliwości praktycznego wykorzystania oscylatorów z jonowymi surfaktantem i membraną ciekłą. Wykazano, że mogą one być użyte do rozpoznawania cząstek...
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Why is the cubic structure preferred in newly formed ice?
PublicationMolecular dynamics was employed to explain the preference for the cubic structure in newly formed crystals of ice. The results showed that in supercooled liquid water the molecules connected by hydrogen bonds are more likely to adopt relative orientations similar to the ones characteristic for cubic ice. The observed preference for certain relative orientations of molecules in the hydrogen-bonded pairs results in the higher probability...
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Potentiometric Solid-Contact Ion-Selective Electrode for Determination of Thiocyanate in Human Saliva
PublicationA new solid-contact potentiometric ion-selective electrode for the determination of SCN− (SCN-ISE) has been described. Synthesized phosphonium derivative of calix[4]arene was used as a charged ionophore. The research included selection of the ion-selective membrane composition, determination of the ISEs metrological parameters and SCN-ISE application for thiocyanate determination in human saliva. Preparation of the ISEs included...
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Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences
PublicationCooperation of aryl⋯perfluoroaryl stacking interactions and hydrogen bonds was utilized in the construction of six novel cocrystals of aromatic cis-amides with pentafluorobenzoic acid (pfba) and pentafluorophenol (pfp). They were obtained by crystallization from solution and structurally characterized. In four instances, the components form heterotetrameric motifs, in which amide:amide homodimer interacts symmetrically on two sides...
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Specific Binding of Cholesterol to the Amyloid Precursor Protein: Structure of the Complex and Driving Forces Characterized in Molecular Detail
PublicationC99 is the C-terminal membrane-bound fragment of the amyloid precursor protein that is cleaved by γ-secretase to release Aβ peptides, the hallmark of Alzheimer’s disease (AD). Specific interactions of C99 with cholesterol have been proposed to underlie the recognized role of cholesterol in promoting amyloidogenesis. By using molecular dynamics simulations, we studied cholesterol binding to C99 in a lipid bilayer. We determined...
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Antimicrobial molecular nanocarrier–drug conjugates
PublicationMany antimicrobial drugs are poorly active against pathogenic microbes causing intracellular infections, such as Mycobacterium tuberculosis or Plasmodium falciparum. On the other hand, several known antimicrobial agents are not effective enough because of their limited cellular penetration. A common feature of both challenges is the inability of an active agent to cross the biological membrane(s). One of the possible approaches...
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Anticancer Properties of Amino Acid and Peptide Derivatives of Mycophenolic Acid
PublicationBackground: Although Mycophenolic Acid (MPA) is applied as prodrugs in clinic as an immunosuppressant, it also possesses anticancer activity. MPA acts as Inosine-5’-Monophosphate Dehydrogenase (IMPDH) inhibitor, where the carboxylic group at the end of the side chain interacts with Ser 276 of the enzyme via hydrogen bonds. Therefore, MPA derivatives with other polar groups indicated high inhibition too. On the other hand, potent...
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1,3-Di-<i>n</i>-butylthiourea
PublicationIn the title compound, C9H20N2S, the n-butyl groups are in syn and anti positions in relation to the C=S bond. In the crystal, two molecules are connected by two N-H···S=C hydrogen bonds into a centrosymmetric dimer. Another N-H···S=C hydrogen bond links the dimers, forming layers with a hydrophilic interior and a hydrophobic exterior, which spread across the (100) plane. Interlacing of the...
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Investigation of solid polymer electrolyte gas sensor with different electrochemical techniques
PublicationIn this work solid polymer electrolyte (SPE) amperometric sulphur dioxide sensor is investigated. Nafion was used as a membrane electrode and 1M sulphuric acid as an internal electrolyte. Sensor response to sulphur dioxide was measured. Besides traditional constant voltage amperometry also different electrochemical techniques were used. Results obtained by these methods are compared.
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Electrochemical sensor for measurement of volatile organic compounds in air
PublicationPrzedstawiono rezultaty badań prototypowego czujnika do oznaczania mrówczanu etylu i formaldehydu w powietrzu. Określono czułość wskazań czujnika i jego granice oznaczalności wykorzystując jako techniki detekcyjne pulsową woltamperometrię różnicową (DPV) oraz woltamperometrię fali prostokątnej (SWV). Elektrodę roboczą i przeciwelektrodę stanowiły elektrody z Pt. Elektrolitem wewnętrznym była ciecz jonowa (chlorek 1-heksylo,3-metyloimidazolinowy)....
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Effect of temperature and composition on physical properties of deep eutectic solvents based on 2-(methylamino)ethanol – measurement and prediction
PublicationNovel deep eutectic solvents were synthesized using 2-(methylamino)ethanol as hydrogen bond donor with tetrabutylammonium bromide or tetrabutylammonium chloride or tetraethylammonium chloride as hydrogen bond acceptors. Mixtures were prepared at different molar ratios of 1:6, 1:8 and 1:10 salt to alkanolamine and then Fourier Transform Infrared Spectroscopy measurements were performed to confirm hydrogen bonds interactions between...
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Structural change of carbon supported Pt nanocatalyst subjected to a step-like potential cycling in PEM FC
PublicationIn this paper we present detailed X-ray absorption fine structure (XAFS), X-ray diffraction (XRD) and transmission electron microscopy (TEM) investigations of the changes in the local geometric and electronic structure of Pt nanoparticles used as a cathode catalyst in proton exchange membrane fuel cell (PEMFC), working under controlled potential cycling conditions.
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Wodór jako paliwo cz. 1
PublicationW artykule przedstawiono wodór jako nowoczesny nośnik energii oraz jego zastosowanie techniczne w ujęciu konwersji energii. Przybliżono jego odkrycie, właściwości oraz jego wykorzystanie od odkrycia do współczesności. Dokonano opisu budowy i zasady działania ogniw paliwowych. Omówiono ich podział przedstawiając zalety i wady każdego rozwiązania oraz ich zastosowanie techniczne w zależności od typu ogniwa.
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ENVIRONMENTAL DEGRADATION OF DISSIMILAR AUSTENITIC 316L AND DUPLEX 2205 STAINLESS STEELS WELDED JOINTS
PublicationThe paper describes structure and properties of dissimilar stainless steels welded joints between duplex 2205 and austenitic 316L steels. Investigations were focused on environmentally assisted cracking of welded joints. The susceptibility to stress corrosion cracking (SCC) and hydrogen embrittlement was determined in slow strain rate tests (SSRT) with the strain rate of 2.2 × 10–6 s–1. Chloride-inducted SCC was determined in the...
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Customizing nano-chitosan for sustainable drug delivery
PublicationChitosan is a natural polymer with acceptable biocompatibility, biodegradability, and mechanical stability; hence, it has been widely appraised for drug and gene delivery applications. However, there has been no comprehensive assessment to tailor-make chitosan cross-linkers of various types and functionalities as well as complex chitosan-based semi- and full-interpenetrating networks for drug delivery systems (DDSs). Herein, various...
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Application of H2O2 to optimize ammonium removal from domestic wastewater
PublicationThe paper presents the results of application of hydrogen peroxide (H2O2) for the optimization of the effects of ammonia nitrogen removal from domestic wastewater. The investigations were carried out at a model wastewater treatment plant consisting of a preliminary sedimentation tank and a sand filter with a horizontal flow of wastewater at a constant hydraulic load of 1.44 L/day. The efficiency of ammonia nitrogen removal was...
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Green porous benzamide-like nanomembranes for hazardous cations detection, separation, and concentration adjustment
PublicationGreen biomaterials play a crucial role in the diagnosis and treatment of diseases as well as health-related problem-solving. Typically, biocompatibility, biodegradability, and mechanical strength are requirements centered on biomaterial engineering. However, in-hospital therapeutics require an elaborated synthesis of hybrid and complex nanomaterials capable of mimicking cellular behavior. Accumulation of hazardous cations like...
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Influence of the internal electrolyte composition on amperometric sulphur dioxide sensor properties
PublicationIn this work investigation of an amperometric sulphur dioxide sensor with a liquid electrolyte, a mercury sulphate reference electrode and solid polymer electrolyte (Nafion) covered with gold as a working electrode properties is presented. The main goal of this research is to determine the influence of internal electrolyte composition on the sensor properties. Sensor filled with 1M and 5M sulphuric acid has been studied.
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Configurational and Conformational Preferences in Stereoselective Acylations of N-Methyl-1,3-diaminopropane with Acyl Chlorides
PublicationEvidence for a stereoinduction profile of the reaction of N-methyl-1,3-diaminopropane with acyl chlorides was provided. A possibility to engage in intramol. CH2···HN and Cl···H-N interactions and the proton migration process to the methylamino group leads to the E secondary amides carrying the N···H+···N or N-H···N bridges, that show unusual spectroscopic images. Empirical relations between the ΔδC chem. shift differences,...
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Wet H2S corrosion and degradation of pipeline in amine regeneration system
PublicationThe paper presents the results of NDT examinations, metallographic tests and risk assessment of degradation related to corrosion of amine regeneration unit in a desulphurisation system. Intensive corrosion resulting from acid gases environment upon water condensation causes perforation of the pipeline. Detailed analysis reveals cracking related to the mechanism of wet H2S. Hydrogen penetration, resulting from the wet H2S process,...
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Optimization of a Fabric Phase Sorptive Extraction protocol for the isolation of six bisphenols from juice pouches to be analysed by high performance liquid chromatography coupled with diode array detector
PublicationFabric Phase Sorptive Extraction (FPSE) combined with high pressure liquid chromatography using to diode array detection (HPLC-DAD) was applied for the simultaneous determination of bisphenols (BPA, BPB, BPC, BPE, BPF, BPS) in juice pouches. The FPSE procedure was optimized with regards to the critical parameters that affect the performance of the method including the selection of the FPSE membrane type and size, adsorption time,...
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Molecular Targets for Anticandidal Chemotherapy
PublicationA relatively small number of anticandidal chemotherapeutics used in clinical practice is at least in part consequence of a limited number of their molecular targets: ergosterol in the membrane, lanosterol demethylase, b(1!3) glucan synthase, and DNA/RNA biosynthesis. Much more potential novel targets have been revealed by the comparative genomic studies identifying essential genes unique for Candida albicans or resulted from recognition...
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Electrochemical sensor for measurement of volatile organic compounds = Elektrochemiczny czujnik do oznaczania lotnych związków organicznych
PublicationPrzedstawiono rezultaty badań prototypowego czujnika do oznaczania benzaldehydu i formaldehydu w powietrzu. Określono czułość wskazań czujnika i jego granice oznaczalności wykorzystując jako technikę detekcyjną woltamperometrię fali prostokątnej (SWV). Elektrodę roboczą i przeciwelektrodę stanowiły elektrody z Pt. Elektrolitem wewnętrznym były ciecze jonowe: chlorek 1-heksylo,3- metyloimidazolinowy i bis(trifluorometylosulfonylo)imidek...