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Próba rekonstrukcji pierwotnej rzeźby obszaru Zespołu Staromiejskiego w Toruniu i jego bliskich przedmieść na podstawie geoinformacji geologicznej i historycznej
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Some analytical assays for the determination of bioactivity of exotic fruits
PublicationPrzedmiotem badań były próbki owoców egzotycznych (mango, durian, gruszka adwokacka) zebrane w 2008 roku w Tajlandii i w Izraelu (po etapie liofilizacji). W próbkach oznaczano zawartość:- białek, - tłuszczów,- węglowodanów,- flawonoidów,- tanin- polifenoli stosując zarówno zaawansowane techniki instrumentalne jak i proste testy spektrofotometryczne (FRAP, ABTS, DPPH, CUPRAC). Uzyskana wieloparametrowa baza danych pomiarowych została...
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Matrix solid-phase dispersion with sand in chromatographic analysis of essential oils in herbs
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Effect of extraction method on the yield of furanocoumarins from fruits ofArchangelica of?cinalis Hoffm.
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The optimisation of analytical parameters for routine profiling of antioxidants in complex mixture by HPLC coupled post-column derivatisation
PublicationIntroduction: The wide application of natural and artificial antioxidants in food, cosmetic and pharmaceutical industry as well as the recognition of the importance of food antioxidants for supporting human health created demand for reliable and industrially applicable methods of determining antioxidative activity. This requirement can be fullfilled with the recently proposed HPLC-post-column derivatisation approach enabling the...
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Multipoint Boundary Value Problems for ODEs. Part I
PublicationPraca dotyczy równań różniczkowych z wielopunktowymi liniowymi warunkami brzegowymi. Stosując metodę kwazilinearyzacji, pokazano że odpowiednio skonstruowane ciągi monotoniczne są zbieżne do jedynego rozwiązania omawianego problemu i jest to zbieżność kwadratowa. Otrzymano odpowiednie wyniki dla zagadnień, gdy współczynniki w warunkach brzegowych są wszystkie tego samego znaku.
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Antiperiodic boundary value problems for functional differential equations
PublicationRównania różniczkowo funkcyjne z antyokresowymi warunkami brzegowymi są przedmiotem rozważań tej pracy. Podane zostały warunki dostateczne na istnienie jedynego rozwiązania, które jest granicą dwóch monotonicznych ciągów. Szybkość tej zbieżności jest również określona. Metoda dowodzenia oparta jest na metodzie kwasilinearyzacji. Otrzymano również pewne wyniki dotyczące problemów liniowych.
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Smooth Orthogonal Projections on Riemannian Manifold
PublicationWe construct a decomposition of the identity operator on a Riemannian manifold M as a sum of smooth orthogonal projections subordinate to an open cover of M. This extends a decomposition on the real line by smooth orthogonal projection due to Coifman and Meyer (C. R. Acad. Sci. Paris, S´er. I Math., 312(3), 259–261 1991) and Auscher, Weiss, Wickerhauser (1992), and a similar decomposition when M is the sphere by Bownik and Dziedziul (Const....
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Are stabilizing osmolytes preferentially excluded from the protein surface? FTIR and MD studies
PublicationInteractions between osmolytes and hen egg white lysozyme in aqueous solutions were studied by means of FTIR spectroscopy and molecular dynamics. A combination of difference spectra method and chemometric analysis of spectroscopic data was used to determine the number of osmolyte molecules interacting with the protein, and the preferential interaction coefficient in presented systems. Both osmolytes – L-proline and trimethylamine-N-oxide...
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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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Double ZIF-L structures with exceptional CO2 capacity
PublicationCarbon dioxide emission is an emerging problem nowadays and new methods are designed for its control. In this article, a report on the formation of zeolitic imidazole framework with an apparent double leaf-like morphology DZIF-L is given. The special structure of the materials prevents from aggregation of the particles providing remarkable CO2 capacity. At 0.1 MPa the CO2 uptake was 2.99 ± 0.06 mmol/g. The capacity of synthesized...
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Multi-sensor monitoring of the corrosion rate and the assessment of the efficiency of a corrosion inhibitor in utility water installations
PublicationThis paper presents an implementation of the monitoring of the corrosion rate and the assessment of the efficiency of a corrosion inhibitor in a utility water installation using an automated corrosion monitoring system. Due to the fact that the corrosion inhibitor was added to water intended for human consumption, it was necessary to build a multi-sensor monitoring system. In order to implement corrosion monitoring using a linear...
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A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
PublicationIn this theoretical work, we present a spectroscopic analysis of the cis/trans-isomers of a molecular switch, penta-2,4-dienoic acid, attached to gold clusters of different size (1, 2 and 20 gold atoms). We have simulated 4 different spectroscopic techniques: Infrared spectroscopy, normal Raman scattering, absorption spectra and resonance Raman scattering. We discuss how the position and the conformation of the molecule determine...
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Gentiana asclepiadea exerts antioxidant activity and enhances DNA repair of hydrogen peroxide- and silver nanoparticles-induced DNA damage
PublicationExposure to high levels of different environmental pollutants is known to be associated with induction of DNA damage in humans. Thus DNA repair is of great importance in preventing mutations and contributes crucially to the prevention of cancer. In our study we have focused on quantitative analysis of Gentiana asclepiadea aqueous or methanolic extracts obtained from flower and haulm, their antioxidant potency in ABTS post-column...
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Concept of a swirling diffuser in batch blending tanks
PublicationThe mixing of two or more components belongs to the category of the most common unit operations, both in technology and in nature. One particular version is homogenization (blending), the effectivity of which is strongly related to the blending time. Among many differentiated individual solutions of mixing systems used in blenders, one should distinguish the class of agitators with diffusers. An analysis of the character of the...
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Pyrrole bearing diazocrowns: Selective chromoionophores for lead(II) optical sensing
PublicationDiazocrowns of 18-, 21- and 23-membered rings with pyrrole residue as a part of macrocycle were for the first time used as chromoionophores in lead(II) selective optodes. Sensing properties of optodes depend on the type of macrocycle, namely its size and the type of linker: oligoether or hydrocarbon chain. The best results were obtained for optode bearing 18-membered crown with oligoether linker showing linear response range of...
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Mechanism of antifreeze protein functioning and the “anchored clathrate water” concept
PublicationIn liquid water, there is a natural tendency to form aggregates that consist of water molecules linked by hydrogen bonds. Such spontaneously formed aggregates are surrounded by a "sea" of disordered water molecules, with both forms remaining in equilibrium. The process of creating water aggregates also takes place in the solvation water of proteins, but in this case the interactions of water molecules with the protein surface shift...
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A comparative study on the decolorization of Tartrazine, Ponceau 4R, and Coomassie Brilliant Blue using persulfate and hydrogen peroxide based Advanced Oxidation Processes combined with Hydrodynamic Cavitation
PublicationDecolorization of Ponceau 4R, Tartrazine, and Coomassie Brilliant Blue (CBB) was studied using hybrid processes of hydrodynamic cavitation (HC) with potassium persulfate (KPS) and hydrogen peroxide (H2O2). The different properties of these dyes such as hydrophobicity, molecular structures, and molecular weights provided this opportunity to investigate the effects of these factors by comparing the decolorization values of the dyes....
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The importance of the shape of the protein-water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublicationSingle kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in solvation shell change along with the nature of neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water is not very different from bulk water. The local values of...
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Macrocyclic derivatives of imidazole as chromoionophores for bismuth(III)/lead(II) pair
Publication18-membered diazomacrocycles with imidazole or 4-methylimidazole residue as a part of macrocycle were used as chromoionophores in bismuth(III) and lead(II) dual selective optodes for the first time. Cellulose triacetate membranes doped with macrocyclic chromoionophores are bismuth(III) and lead(II) selective with color change from orange/red to different shades of blue and violet, respectively. Results obtained for model and real...
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Advances in olfaction-inspired biomaterials applied to bioelectronic noses
PublicationAmong all the senses, olfactory system of mammals is the least characterised as far as the mechanisms of odour identification are concerned. The results of recent investigations allow better understanding of the operation mechanism of the sense of smell. Progress in this field is crucial for the development of sensor technology based on olfaction-inspired biomaterials, which simulate the olfactory system of the biological counterparts....
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The importance of the shape of the protein–water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublicationA single kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in the solvation shell change along with the nature of the neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water are not very different from bulk water. The local...
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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublicationWe present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression...
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Wastewater treatment by means of advanced oxidation processes based on cavitation – A review
PublicationHydrodynamic and acoustic cavitation combined with advanced oxidation processes (AOPs), including, among others, the Fenton process, is a promising alternative to the technologies of wastewater treatment technologies in use today. The present review discusses processes based on cavitation combined with AOPs and evaluates their effectiveness in oxidation of organic contaminants. Complete degradation of, among others, p-nitrotoluene,...
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Wastewater treatment by means of Advanced Oxidation Processes at basic pH conditions: A review
PublicationAdvanced oxidation processes (AOPs) have been used as an alternative and effective option for treatment of industrial wastewater, especially in the case of the non-biodegradable compounds. Despite of several well developed AOPs, the majority of them are effective only at acidic or neutral pH, namely Fenton related processes, making the list of available effective advanced oxidation technologies strongly limited. In many cases,...
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Facet effect of TiO2 nanostructures from TiOF2 and their photocatalytic activity
PublicationIn this study, special attention is focused on the design of TiO2 morphology and microstructure in the two-step preparation procedure using TiOF2 as a precursor to study their photodegradation mineralization efficiency. Firstly, TiOF2 was synthesized by a simple solvothermal method using titanium(IV) tetrafluoride, which was further used as a precursor in preparation of anatase 2D nanosheets, octahedral, decahedral, and rectangular prisms...
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Water-mediated influence of a crowded environment on internal vibrations of a protein molecule
PublicationThe influence of crowding on the protein inner dynamics is examined by putting a single protein molecule close to one or two neighboring protein molecules. The presence of additional molecules influences the amplitudes of protein fluctuations. Also, a weak dynamical coupling of collective velocities of surface atoms of proteins separated by a layer of water is detected. The possible mechanisms of these phenomena are described....
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Theoretical Assessment of Excited State Gradients and Resonance Raman Intensities for the Azobenzene Molecule
PublicationThe ground state geometries and vibrational frequencies as well as the excitation energies and excited state gradients of the S 1(nπ*) and S 2(ππ * ) states of trans - and cis -azobenzene are investigated by several DFT methods, namely B3LYP, PBE, M06-2X, CAM-B3LYP, and ω B97X. Excited state properties and in particular gradients are also assessed using the wave function based methods EOM-CCSD and RASPT2/RASSCF. Comparison with...
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MoS2-containing composite membranes for separation of environmental energy-relevant liquid and gas mixtures: A comprehensive review
PublicationMolybdenum sulfide (MoS2) materials adapted into membranes have demonstrated potential for different areas dealing with molecular separations. For instance, MoS2-based membranes have been proposed for distinct environmental applications, such as water treatment, seawater desalination, gas separation, and solvent separation. Emergently, such membranes have been ultimately investigated for energy-relevant gas separation mixtures,...
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Optical investigations of electrochemical processes using a long-period fiber grating functionalized by indium tin oxide
Publicationhe growing needs for fast and reliable sensing devices stimulate development of new technological solutions. In this work a new multi-domain sensing method is demonstrated where optical sensing device has been applied to enhance amount of data received during electrochemical analysis. Thin, optically transparent, high-refractive-index, and electrically conductive indium tin oxide (ITO) film was deposited using magnetron sputtering...
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Synchrotron radiation photoemission spectroscopy of the oxygen modified CrCl3 surface
PublicationWe investigate the experimentally challenging CrCl3 surface by photon energy dependent photoemission (PE). The core and valence electrons after cleavage of a single crystal, either in a ultrahigh vacuum (UHV) or in air, are studied by keeping the samples at 150 1C, aiming at confirming the atomic composition with respect to the expected bulk atomic structure. A common spectroscopic denominator revealed by data is the presence of...
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Failure analysis and modernization of high-pressure hydraulic press for drilling tubes testing
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Thermodynamics of the thermal decomposition of calcium oxalate monohydrate examined theoretically
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Theoretical methods in thermodynamics of condensed phases
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Theoretical prediction of enthalpies and temperatures of sublimation of organochlorine compounds including pesticides
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Reactive deposition of TiNx layers in a DC-magnetron discharge
PublicationTiNx layers have been deposited in 'balanced mode' and 'unbalanced mode' of a reactive DC-magnetron plasma (carrier gas argon, reactive gas nitrogen) under different conditions. Discharge power and reactive gas flow have been varied. The layers have been examined by X-ray photoelectron spectroscopy (XPS), X-ray reflectometry (XR), and spectroscopic ellipsometry (SE). The results of the layer analyses were combined with plasma investigations...
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QSRR Evaluation of the New Anticancer Sulfonamides in View of the cis-trans Isomerism
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Biological Activity of Compounds Exhibiting Local Anesthetics's Properties Evaluated by QSAR Approach
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Post-failure fracture surface analysis of notched steel specimens after bending-torsion fatigue
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Effect of multiaxial bending-torsion loading on fracture surface parameters in high-strength steels processed by conventional and additive manufacturing
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Fractal analysis of the bending-torsion fatigue fracture of aluminium alloy
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Thermal subjective sensations of motorcyclists
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A PAIR OF PERFECTLY CONDUCTING DISKS IN AN EXTERNAL FIELD
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A risk analysis of winter navigation in Finnish sea areas
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Case study of masts damage of the sail training vessel POGORIA
PublicationArtykuł przedstawia opis i analizę przyczyn zdarzenia polegającego na utracie masztów w lipcu 2009 przez barkentynę sts ''POGORIA'' w trakcie regat Tall Ships Race 2009. Przedstawiono podstawowe okoliczności stanowiące tło zdarzenia, dokonano anlizy przyczyn w skali globalnej, zaprezentowano analizę szczegółową utraty nośności konstrukcji stalowej, a na tym tle wypunktowano szczegółowe przyczyny leżące u źródeł wypadku. We wnioskach...
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On Nonlinear Volterra Integral Equations With State Dependent Delays in Several Variables
PublicationW pracy badane jest istnienie i jednoznaczność rozwiązań nieliniowego równania całkowego typu Volterry z opóźnionym argumentem zależnym od funkcji niewiadomej wielu zmiennych. Poszukiwane są ciągłe rozwiązania lipschitzowskie. Rozwiązania są poszukiwane metodą porównawczą z zastosowaniem twierdzenia Banacha o punkcie stałym.
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Non-destructive testing of industrial structures with the use of multi-camera Digital Image Correlation method
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Thermal properties of poly(vinyl chloride)/polyurethane blends
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Application of the DSC analysis of thermoplastic polyurethane elastomers to a comparative study of their technological properties
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Primary and secondary crystallization of poly(ethylene adipate)
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