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Search results for: PROTON AFFINITY
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Effects of n-butanol presence, inlet loading, empty bed residence time and starvation periods on the performance of a biotrickling filter removing cyclohexane vapors from air
PublicationThis paper presents the results of investigations on the removal of cyclohexane vapors from air using a peat-perlite packed biotrickling filter. Effects of basic process parameters i.e. IL (inlet loading) and EBRT (empty bed residence time) as well as introduction of n-butanol to the treated air stream and starvation periods on the process performance were evaluated. The results show that the introduction of hydrophilic n-butanol...
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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublicationWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
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Badania warunków spawania pod wodą metodą lokalnej komory suchej
PublicationZastosowanie do spawania pod wodą metody lokalnej komory suchej stanowi alternatywę dla mających znacznie większe znaczenie praktyczne metod spawania w warunkach mokrych. Zwiększenie zakresu stosowania procesów spawalniczych przy miejscowym odizolowaniu obszaru spawania od wody uwarunkowane jest opracowywaniem nowych rozwiązań konstrukcyjnych, ale także poszerzaniem stanu wiedzy o przebiegu procesu m.in. poznaniem warunków panujących...
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Napawanie elementów wymiennika ciepła austenitycznym drutem proszkowym
PublicationNa potrzeby przemysłu energetycznego produkuje się wymienniki ciepła przeznaczone do eksploatacji w warunkach agresywnych chemicznie, np. w środowisku siarkowodoru. Z przyczyn ekonomicznych często stosuje się w takim przypadku materiały bimetaliczne wytwarzane procesami napawania. W artykule przedstawiono wyniki badań nieniszczących, pomiarów twardości, analizy składu chemicznego, pomiarów ferrytu delta oraz badań makro- i mikroskopowych...
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Badania skłonności do pękania zimnego złączy doczołowych ze stali typu dupleks 2205 wykonanych w środowisku wodnym
PublicationW pracy zbadano skłonność stali dupleks 2205 do tworzenia pęknięć zimnych. Wykonano technologiczne próby Tekken w warunkach podwodnych metodą mokrą z wykorzystaniem elektrod otulonych. Przedstawiono wyniki badań twardości, badań metalograficzny makro i mikroskopowych oraz badań zawartości ferrytu.
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Wpływ namagnesowania elektrod otulonych na złącza spawane pod wodą metodą mokrą
PublicationDokonano analizy wpływu namagnesowania elektrod otulonych na geometrię i właściwości złączy teowych ze spoinami pachwinowymi wykonanych ze stali S235JR w środowisku wodnym. Stwierdzono, że dla zastosowanych warunków i parametrów spawania namagensowanie elektrod wpływa na stabilność jarzenia się łuku, powstawanie niezgoności spawalniczych typu błędy kształtu, natomiast nie ma wpływu na budowę mikrostrukturalną i twardość złączy...
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N-Alkyl Derivatives of L-Glutamine As Inhibitors of Glutamine - Utilizing Enzymes
PublicationA general facile method to synthesize the N-gamma-alkyl and N-gamma,N-gamma-dialkyl derivatives of L-glutamine (1a-d) from L-glutamic acid as a starting substrate is presented. The obtained compounds are shown to inhibit three diferent glutamine-utilizing enzymes, namely: glutaminase, gamma-glutamyl transpeptidase, and glucosamine-6-phosphate synthase, with inhibitory constants within the milimolar range.
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pH -Tunable equilibria in azocrown ethers with histidine moieties, Bioelectrochemistry
PublicationThe crown ethers with electro- and photoactive azo moieties containing substituents with mobile protons such as in the –COOH groups of histidine, show unique effect of pH switched on/off presence of the azo form. The differences observed for the electrochemical behavior of azocrown ethers with N-acetylhistidine and imidazole moieties reveal the interference of a chemical reduction pathway in strongly acidified solutions. This...
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Elimination and migration of hydrogen in the vacuum-ultraviolet photodissociation of pyridine molecules
PublicationElimination of the excited hydrogen atoms H(n), n = 4–7, and hydrogen migration in formation of the excited NH(A 3Π) free radicals in the photodissociation of pyridine, C5H5N, molecules have been studied over the 17.5–70 eV photon energy range. In the measurements the photon-induced fluorescence spectroscopy technique has been applied. Both fragments are produced through excitation of pyridine molecules into higher-lying superexcited...
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UAV Survey Images - 3D Model - Zukowo Church
Open Research DataDataset description: Raw images from photogrammetric survey. Object: Parafia Wniebowzięcia Najświętszej Maryi Panny w ŻukowieLocation: Żukowo, Pomorskie, Kartuski County, PolandDrone type: DJI Mavic Pro.Flight plan: CircleTarget Product: 3D ModelDate: 21.04.2018Direct georeferencing: yesMetadata data: yes/GPSGCP: NoGCP: No Camera Name: DJI FC220Model...
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UAV Survey Images - orthophotomap - Zukowo City
Open Research DataDataset description: Raw images from photogrammetric survey.Location: Żukowo, Pomorskie, Kartuski County, PolandDrone type: DJI Mavic Pro.Flight plan: Single gridTarget Product: OrthophotomapDate: 22.04.2018Direct georeferencing: yesMetadata data: yes/GPSGCP: yes (description and location in file)\GCP: RTK Camera Name: DJI FC220Model type: PerspectiveImage...
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Molecular simulation study of cooperativity in hydrophobic association
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AmiP from hyperthermophilic Thermus parvatiensis prophage is a thermoactive and ultrathermostable peptidoglycan lytic amidase
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Measurements of photoionization of mercury atoms into the 6s 2S1/2, 5d96s2 2D5/2 and 5d96s2 2D3/2 ionic states over the energy range from 10.5 eV to 18.7 eV
PublicationPhotoionization of mercury atoms into the three lowest ionic states, 5d106s 2S1/2, 5d96s2 2D5/2 and 5d96s2 2D3/2 has been studied in the photon energy ranges from their respective thresholds to 18.7 eV. The photoionization spectra were obtained with high energy resolution at an angle of 0° with respect to the polarization vector of the photon beam. The high energy resolution and sensitivity achieved in the measurements permitted...
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Jan Kreft prof. dr hab.
PeopleProf. dr hab. Jan Kreft, Politechnika Gdańska (WZiE), profesor Uniwersytetu Jagiellońskiego (WZiKS) 2013-2019. Kierownik Zakładu Zarządzania Algorytmicznego (Katedra Zarządzania) i Centrum Badań nad Zarządzaniem Algorytmicznym. Zainteresowania badawcze: zarządzanie organizacjami mediów i nowych technologii, teoria i praktyka manipulacji i propagandy. Wieloletni dziennikarz polskich mediów m.in. Agencji Reuters. Korespondent w...
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The structurally similar TRFH domain of TRF1 and TRF2 dimers shows distinct behaviour towards TIN2
PublicationThe telomere repeat binding-factor 1 and 2 (TRF1 and TRF2) proteins of the shelterin complex bind to duplex telomeric DNA as homodimers, and the homodimerization is mediated by their TRFH (TRF-homology) domains. We performed molecular dynamic (MD) simulations of the dimer forms of TRF1TRFH and TRF2TRFH in the presence/absence of the TIN2TBM (TIN2, TRF-interacting nuclear protein 2, TBM, TRF-binding motif) peptide. The MD results...
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Effect of osmolytes on the thermal stability of proteins: replica exchange simulations of Trp-cage in urea and betaine solutions
PublicationAlthough osmolytes are known to modulate the folding equilibrium, the molecular mechanism of their effect on thermal denaturation of proteins is still poorly understood. Here, we simulated the thermal denaturation of a small model protein (Trp-cage) in the presence of denaturing (urea) and stabilizing (betaine) osmolytes, using the all-atom replica exchange molecular dynamics simulations. We found that urea destabilizes Trp-cage...
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Experimental and Theoretical Insights into the Intermolecular Interactions in Saturated Systems of Dapsone in Conventional and Deep Eutectic Solvents
PublicationSolubility is not only a crucial physicochemical property for laboratory practice but also provides valuable insight into the mechanism of saturated system organization, as a measure of the interplay between various intermolecular interactions. The importance of these data cannot be overstated, particularly when dealing with active pharmaceutical ingredients (APIs), such as dapsone. It is a commonly used anti-inflammatory and...
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Tomasz Korczyński mgr
PeopleFrom February 2007 I'm working as a psychologist in Prison Service. I was working in almost all types of prisons with juvenile inmates, recidivist, “dangerous” inmates, women and first time offenders. I'm responsible for carrying out psychological consultations, testing, crisis intervention, suicide prevention. Other duties include promoting a healthy institutional environment to improve staff and inmate safety, delivering direct...
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Local atomic order in low Pt-content nanocatalysts investigated in situ by XAS
PublicationThe unique features of X-ray absorption spectroscopy allow investigations of nanosized catalysts for fuel cells under working conditions. We present the results of an experiment carried out on a low Pt content electrocatalyst supported by a mesoporous heteropolyacid salt and used at the cathode of a proton exchange membrane fuel cell (PEMFC). The analysis of the EXAFS signal at the Pt L3-edge indicates that upon operating the fuel...
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Greenhouse-PV Semitransparent PV coatings for greenhouse application
ProjectsProject realized in Zakład Fizyki Organicznych i Perowskitowych Struktur Fotowoltaicznych according to UMO-2021/03/Y/ST5/00233 agreement from 2022-07-01
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Yields and Time-of-Flight Spectra of Neutral High-Rydberg Fragments at the K Edges of the CO2 Molecule
PublicationWe have studied the production of neutral fragments in high-Rydberg (HR) states at the C 1s and O 1s edges of the CO2 molecule by performing two kinds of experiments. First, the yields of neutral HR fragments were measured indirectly by ionizing such fragments in a static electric field and by collecting resulting singly charged positive ions as a function of the photon energy. Such measurements reveal not only excitations below...
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Thymine dimer repair by electron transfer from photo-excited 2′,3′,5′-tri-O-acetyl-8-oxo-7,8-dihydroguanosine or 2′,3′,5′-tri-O-acetyl-ribosyluric acid – a theoretical study
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Flap Monitoring Techniques: A Review
PublicationPostoperative tissue flap vitality monitoring enables early detection of clinical complications, allowing for intervention. Timely re-operation can prevent the need for extensive correction procedures, thus reducing healthcare costs and hospitalisation time. Statistics show that monitoring can increase the success rate of flap survival to 95\% or higher. However, despite the significant progress in monitoring techniques, major...
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Homoclinic orbits for a class of singular second order Hamiltonian systems in ℝ3
PublicationWe consider a conservative second order Hamiltonian system \ddot{q}+ ∇V(q)=0 in R3 with a potential V having a global maximum at the origin and a line l ∩ {0} = ∅ as a set of singular points. Under a certain compactness condition on V at infinity and a strong force condition at singular points we study, by the use of variational methods and geometrical arguments, the existence of homoclinic solutions of the system.
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Role of the Solvation Water in Remote Interactions of Hyperactive Antifreeze Proteins with the Surface of Ice
PublicationMost protein molecules do not adsorb onto ice, one of the exceptions being so-called antifreeze proteins. In this paper, we describe that there is a force pushing an antifreeze protein molecule away from the ice surface when it is not oriented with its ice-binding plane toward the ice and that this pushing force may be also present even when the protein is oriented with its ice-binding plane toward the ice. This force is absent...
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New recombinant chimeric antigens, P35-MAG1, MIC1-ROP1, and MAG1-ROP1, for the serodiagnosis of human toxoplasmosis
PublicationThe aim of the study was to evaluate the usefulness of 3 chimeric Toxoplasma gondii antigens, P35-MAG1,MIC1-ROP1 andMAG1-ROP1, in the serodiagnosis of an acute toxoplasmosis in humans. Proteins were produced as fusion proteins containing His tags ends and then further purified by metal affinity chromatography. Their application for the diagnosis of recently acquired T. gondii infection was tested in IgG and IgM enzyme-linked immunosorbent...
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Towards β-selectivity in functional estrogen receptor antagonists
PublicationBased on the benzo[b]naphtho[1,2-d]furan and benzo[b]naphtho[1,2-d]thiophene frameworks, a series of ligands with different basic side chains (BSCs) has been synthesized and pharmacologically evaluated. Also, their binding modes have been modelled using docking techniques. It was found that the introduction of a BSC in these systems brings about a decrease of affinity for both estrogen receptors α and β in an in vitro competitive...
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Molybdenum-uranium-vanadium geochemistry in the lower Paleozoic Alum Shale of Scandinavia: Implications for vanadium exploration
PublicationThis paper investigates the hyper-enrichments of molybdenum (Mo), uranium (U), and vanadium (V) in the lower Paleozoic, Alum Shale of Denmark, Sweden, Norway, and Estonia. Molybdenum and U are mainly associated with organic matter and the highest contents are found in the Furongian part of the Alum Shale. This Furongian hyper-enrichment of Mo and U commenced with the Steptoean Positive Carbon Isotope Excursion (SPICE) event. The...
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Polydopamine Biomaterials for Skin Regeneration
PublicationDesigning biomaterials capable of biomimicking wound healing and skin regeneration has been receiving increasing attention recently. Some biopolymers behave similarly to the extracellular matrix (ECM), supporting biointerfacial adhesion and intrinsic cellular interactions. Polydopamine (PDA) is a natural bioadhesive and bioactive polymer that endows high chemical versatility, making it an exciting candidate for a wide range of...
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Evaluation of Three Peptide Immobilization Techniques on a QCM Surface Related to Acetaldehyde Responses in the Gas Phase
PublicationThe quartz-crystal microbalance is a sensitive and universal tool for measuring concentrations of various gases in the air. Biochemical functionalization of the QCM electrode allows a label-free detection of specific molecular interactions with high sensitivity and specificity. In addition, it enables a real-time determination of its kinetic rates and affinity constants. This makes QCM a versatile bioanalytical screening tool for...
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Aravind Ayyolath
PeopleI am interested in the biology of bacterial stress response and its growth under stress conditions. Our lab focuses on two aspects; protein folding and lipopolysaccharide biosynthesis and we address them with Escherichia coli models. Our recent studies have provided more evidence regarding several genes involved in the survival of bacteria under stress. I am also interested in disease biology and also in identifying proper therapeutic...
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Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field
PublicationThe physics-based united-residue (UNRES) model of proteins ( www.unres.pl ) has been designed to carry out large-scale simulations of protein folding. The force field has been derived and parameterized based on the principles of statistical-mechanics, which makes it independent of structural databases and applicable to treat nonstandard situations such as, proteins that contain D-amino-acid residues. Powered by Langevin dynamics...
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The methodology of design of satellite working mechanism of positive displacement machine
PublicationIn this paper is described a methodology of design of satellite mechanism consisting of two noncircular gears (externally toothed rotor and internally toothed curvature) and circular gears (satellites). In the presented methodology is assumed that the rotor pitch line is known, and the curvature pitch line is necessary to designate. The presented methodology applies to mechanisms for which the number of the curvature humps is at...
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Optimization of microstructure and properties of acceptor-doped barium cerate
PublicationThe presented research concerns acceptor doped barium cerate and the attempts of improvement of its production method that would allow obtaining the solid electrolyte characterized by the particular properties. The authors suggest combining two production methods, molten salt synthesis and self-combustion, in order to achieve the compound material that has some of the advantages of both of the initial methods. An impact of nickel...
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9 - Solid oxide fuel and electrolysis cells
PublicationIn this chapter, the fundamental reactions, the geometrical designs, the material requirements, and the status of SOFCs and SOECs are presented. In the following seven chapters, the most important components of an SOC are described and the chapter ends with a summary and outlook. The described components are: (i) oxygen-ion conductors (electrolyte), (ii) anode materials for SOFCs (cathode in SOEC mode), (iii) cathode materials...
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VUV irradiation studies of plasmid DNA in aqueous solution
PublicationInteractions of VUV light and DNA samples in aqueous solutions are reported. The damage induced by such radiation is quantified by monitoring both loss of supercoiled DNA and formation of single and double strand breaks using agarose gel electrophoresis. Irradiations were performed using synchrotron VUV photons of 130, 150, 170 and 190 nm. VUV irradiation experiments revealed enhanced damage upon irradiation with 170 nm photons...
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Molecular dynamics study on the role of solvation water in the adsorption of hyperactive AFP to the ice surface
PublicationUsing computer simulations, the early stages of the adsorption of the CfAFP molecule to the ice surface were analyzed. We found that the ice and the protein interact at least as early as when the protein is about 1 nm away from the ice surface. These interactions are mediated by interfacial solvation water and are possible thanks to the structural ordering of the solvent. This ordering leads to positional preference of the protein...
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Rebuttal from L. E. K. Ratcliffe, W. Pijacka, F. D. McBryde, A. P. Abdala, D. J. Moraes, P. A. Sobotka, E. C. Hart, K. Narkiewicz, A. K. Nightingale and J. F. R. Paton
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Mariusz Franciszek Kaszubowski dr
PeopleBiogram Mariusz Kaszubowski works as Assistant Professor at the Department of Statistics and Econometrics, Faculty of Management and Economics, Gdansk University of Technology. He is teaching descriptive and mathematical statistics, as well social statistics and insurance statistics. He is lecturer of statistics in at postgraduate studies „Lean Six Sigma Black Belt”. He is a graduate of two majors: Management (specializing Insurance...
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Superexcited states in the vacuum-ultraviolet photofragmentation of isoxazole molecules
PublicationThe photofragmentation of isoxazole molecules producing excited atomic and molecular fragments has been investigated over the energy range 16-50 eV, using photon-induced fluorescence spectroscopy. The following fragments have been identified by their fluorescence: the excited hydrogen atoms H(n), n = 3-7 and the diatomic CH(A2Δ, B2Σ−), CN(B2Σ+) and C2(d3Πg) fragments. The diatomic fragments are vibrationally and highly rotationally...
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Calibration images under different lighting conditions vol. 2
Open Research DataDataset description: Calibration images under different lighting conditions vol. 1
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Calibration images under different lighting conditions - static for feature localisation
Open Research DataDataset description: Calibration images under different lighting conditions - static mode for feature detection
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Water-mediated long-range interactions between the internal vibrations of remote proteins
PublicationIt is generally acknowledged that the mobility of protein atoms and the mobility of water molecules in the solvation layer are connected. In this article, we answer the question whether a similar interdependence exists between the motions of atoms of proteins separated by the hydration layers of variable thickness. The system consisted of a kinesin catalytic domain and a tubulin dimer. It was studied using molecular dynamics simulations....
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Influence of geometrical and operational parameters on tooth wear in the working mechanism of a satellite motor
PublicationThis article describes the phenomena affecting the wear of the rotor of the working mechanism in a hydraulic satellite motor. The basic geometrical relationships that allow the calculation of the coordinates of the points of contact between the satellite and the rotor and the curvature are presented. A method for calculating the number of contacts of the satellite teeth with the rotor teeth and of the satellite teeth with the curvature...
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PROBABILISTYCZNE ASPEKTY ZUŻYCIA SKOJARZEŃ CIERNYCH UKŁADÓW KORBOWO-TŁOKOWYCH NA PRZYKŁADZIE OKRĘTOWYCH SILNIKÓW SPALINOWYCH DWUSUWOWYCH NAPĘDU GŁÓWNEGO
PublicationW artykule przestawiono propozycję rozpatrywania zarówno obciążenia jak i zużywania ślizgowych skojarzeń ciernych (łożysk głównych i korbowych) układów korbowo-tłokowych silników spalinowych, zwłaszcza głównych, a także skojarzeń „tłok-tuleja” tych silników, jako procesów stochastycznych. Propozycję tę uzasadniono tym, że deterministyczne podejście do badania zarówno obciążenia jak i zużycia wspomnianych skojarzeń uniemożliwia...
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Advanced oxidation treatment of Pentoxifylline in aqueous solution
PublicationThe degradation of pentoxifylline (PTX) using H2O2, UV, H2O2/UV, Fenton and photo- Fenton processes has been examined in aqueous solution. The influence of various amount of oxidation agent on H2O2, H2O2/UV, Fenton and photo-Fenton reactions were investigated. Initial PTX concentration in Fenton and photo-Fenton was considerated. The addition of inorganic ions (Cl-, NO3-, SO42- and CO32-) on the degradation efficiency of PTX were...
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Paweł Syty dr inż.
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A magnetic imprinted polymer nano-adsorbent with embedded quantum dots and mesoporous carbon for the microextraction of triazine herbicides
PublicationA magnetic molecularly imprinted polymer (MMIP) adsorbent incorporating amino-functionalized magnetite nanoparticles, nitrogen-doped graphene quantum dots and mesoporous carbon (MIP@MPC@NGQDs@ Fe3O4–NH2) was fabricated to extract triazine herbicides from fruit juice. The embedded magnetite nanoparticles simplified the isolation of the adsorbent from the sample solution. The N-GQDs and MPC enhanced adsorption by affinity binding...
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Phosphorylation‐mediated regulation of heat shock response in Escherichia coli
PublicationEscherichia coli has two heat shock regulons under the transcriptional control of Esigma(32) and Esigma(E) RNA polymerases. These polymerases control the expression of genes, the products of which are needed for correct folding of proteins in the cytoplasm and the extracytoplasm respectively. In this study, we report that mutations in a tyrosine phosphatase-encoding gene led to decreased activity of these heat shock regulons. The...