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Explicit solvent repulsive scaling replica exchange molecular dynamics ( RS‐REMD ) in molecular modeling of protein‐glycosaminoglycan complexes
PublikacjaGlycosaminoglcyans (GAGs), linear anionic periodic polysaccharides, are crucial for many biologically relevant functions in the extracellular matrix. By interacting with proteins GAGs mediate processes such as cancer development, cell proliferation and the onset of neurodegenerative diseases. Despite this eminent importance of GAGs, they still represent a limited focus for the computational community in comparison to other classes...
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Epoxy Composites Filled with Natural Calcium Carbonate. 1. Epoxy Composites Obtained in the Presence of Monoperoxy Derivative of Epidian-6 Epoxy Resin
PublikacjaPhysico-mechanical properties of the products based on filled epoxy-oligomeric mixtures composed of Epidian-5 epoxy resin, oligoesteracrylate TGM-3 and monoperoxide derivative of Epidian-6 epoxy resin (PO) have been investigated. CaCO3 was used as a filler and polyethylene polyamine was a curing agent. The effect of PO and CaCO3 on the gel-fraction content and physico-mechanical properties was examined. Using a scanning electron...
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New-fangled sources of cellulose extraction: comparative study of the effectiveness of Cissus latifolia and Ficus benghalensis cellulose as a filler
PublikacjaRecycled polymers and biopolymers are receiving a great deal of attention these days. If these two can be combined, it will lead to an environment-friendly green material with a great deal of applications. Here the present work is about incorporating bio-based fillers in a recycled polyurethane matrix. Two unusual and extremely novel sources of cellulose have been proposed. The celluloses obtained from Cissus latifolia and Ficus...
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Opioid Growth Factor and its Derivatives as Potential Non-toxic Multifunctional Anticancer and Analgesic Compounds
PublikacjaIn this paper, we review the structure-activity relationship of OGF and its analogues. We highlight also OGF derivatives with analgesic, immunomodulatory activity and the ability to penetrate the blood-brain barrier and may be used as safe agents enhancing chemotherapy efficacy and improving quality of life in cancer patients. The reviewed papers indicate that Met-enkephalin and its analogues are interesting candidates for the...
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Electrochemical performance of thin free-standing boron-doped diamond nanosheet electrodes
PublikacjaIn the following work we describe preparation and the electrochemical performance of thin and free-standing heavy boron-doped diamond (BDD) nanosheets. The investigated foils were deposited on Ta substrate using microwave plasma-enhanced chemical vapor deposition technique (MPECVD). Foils of two B-dopant densities were investigated, obtained on the base of 10 k and 20 k ppm [B]/[C] ratio in the gas admixture. The obtained foils...
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The effect of morphology and crystalline structure of Mo/MoO3 layers on photocatalytic degradation of water organic pollutants
PublikacjaMolybdenum oxide layers were formed by anodization of the Mo metallic foil in a water/ethylene glycol-based electrolyte containing fluoride ions. The as-prepared, amorphous samples were annealed in air at different temperatures in a range from 100 �C to 700 �C. The crystal phase and morphology of anodized and annealed MoO3 layers were investigated using X-ray diffraction, Raman spectroscopy, and scanning electron microscopy. The...
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A comparison of tribological properties of nanolubricants containing carbon nanotori and additional additives
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Central Metal Determines Pharmacokinetics of Chlorophyll-Derived Xenobiotics
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Electrochemical and biological characterization of lyotropic liquid crystalline phases – retardation of drug release from hexagonal mesophases
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A coarse‐grained approach to NMR ‐data‐assisted modeling of protein structures
PublikacjaThe ESCASA algorithm for analytical estimation of proton positions from coarse-grained geometry developed in our recent work has been implemented in modeling protein structures with the highly coarse-grained UNRES model of polypeptide chains (two sites per residue) and nuclear magnetic resonance (NMR) data. A penalty function with the shape of intersecting gorges was applied to treat ambiguous distance restraints, which automatically...
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Electrochemical determination of neurotransmitter serotonin using boron/nitrogen co-doped diamond-graphene nanowall-structured particles
PublikacjaElectrode fouling is a major issue in biological detection due to the adhesion of the protein itself and polymerization of biomolecules on the electrode surface, impeding the electron transfer ability and decreasing the current response. To overcome this issue, the use of anti-fouling material, especially boron-doped diamond (BDD) electrode, is an alternative way. However, the electrocatalytic activity of BDD is inadequate compared...
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Optimization of parallel implementation of UNRES package for coarse‐grained simulations to treat large proteins
PublikacjaWe report major algorithmic improvements of the UNRES package for physics-based coarse-grained simulations of proteins. These include (i) introduction of interaction lists to optimize computations, (ii) transforming the inertia matrix to a pentadiagonal form to reduce computing and memory requirements, (iii) removing explicit angles and dihedral angles from energy expressions and recoding the most time-consuming energy/force terms...
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Green capsule phase microextraction employing hydrophobic monolithic sol-gel octadecyl siloxane platforms for the monitoring of organophosphorus pesticides in environmental water samples
PublikacjaIn this study, a novel, facile and green capsule phase microextraction (CPME) method is presented for the extraction and preconcentration of organophosphorus pesticides (i.e., chlorpyrifos, disulfoton, ethoprophos, fenchlorphos, prothiofos, and parathion-methyl) from environmental water samples. Monolithic sol-gel octadecyl siloxane (sol-gel C18) sorbent encapsulated within porous polypropylene capsules was synthesized, characterized,...
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Hydrogels Based on Natural Polymers for Cardiac Applications
PublikacjaIn this work agar- and borax-based hydrogels with and without the addition of poly(vinyl alcohol) (PVA) at different concentrations were synthesized. Hydrogels were modified by the same amount of acetylsalicylic acid (ASA) which exhibits antithrombotic properties. The effect of modification by ASA on the properties of hydrogels was analyzed.
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High-temperature oxidation of the Crofer 22 H ferritic steel with Mn1.45Co1.45Fe0.1O4 and Mn1.5Co1.5O4 spinel coatings under thermal cycling conditions and its properties
PublikacjaThe aim of the presented study was to deposit protective-conducting Mn1.45Co1.45Fe0.1O4 and Mn1.5Co1.5O4 spinel coatings on the Crofer 22 H ferritic steel by means of electrophoresis and to evaluate their physicochemical properties after high-temperature oxidation under thermal cycling conditions. When the Crofer 22 H steel – whether uncoated or coated with the two spinels – was oxidized in 48-h cycles involving a temperature of...
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Induction of chirality in 4,4'-azopyridine by halogen-bonding interaction with optically active ditopic donors
PublikacjaOptically active ditopic halogen bond donors bearing two 4-iodotetrafluorophenyl groups were obtained by reaction of chiral diols with iodopentafluorobenzene. Co-crystallization of these donors with anti-4,4′-azopyridine afforded binary complexes containing infinite chains of the alternating component molecules connected by halogen bonds. The solid state CD measurements confirmed that complexation induces optical activity of the...
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Efficient synthesis and antifungal investigation of nucleosides’ quaternary ammonium salt derivatives
PublikacjaQuaternary ammonium salts are a group of compounds with diverse biological properties, the most important of which are their antiviral, antibacterial, and antifungal activities. The quaternization reactions of 5'-O-tosyl derivatives of uridine and thymidine with triethylamine, trimethylamine, 4-(N ,N -dimethylamino)pyridine, 2-methylpyridine, and pyridine are described in this article. Two of the synthesized compounds are exceptional...
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Medium-sized cyclic bis(anisylphosphonothioyl)- disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions
PublikacjaCyclic 8-, 9-, 10-, and 12-membered bis(anisylphosphonothioyl)disulfanes were synthesized. Next, structurally related 7 to 9-membered cis and trans sulfanes were isolated as a result of sulfur atom extrusion from the parent cyclic disulfanes. The results of the desulfurization of the disulfanes were compared to the results obtained for desulfurization of the respective bis(anisylphosphodithioates). Cyclic disulfanes predominantly...
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Enzymatic electrodes nanostructured with functionalized carbon nanotubes for biofuel cell applications
PublikacjaNanostructured bioelectrodes were designed and assembled into a biofuel cell with no separating membrane.
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A hartree-fock approach to the steklov eigenproblem for a two-electron atom in an s2 state
PublikacjaW pracy rozważono zagadnienie własne typu Stekłowa (z wartścią własną występującą wyłącznie w liniowym warunku brzegowym) dla nierelatywistycznego atomu dwuelektronowego w stanie s2, znajdującego się wewnątrz wnęki kulistej. Startując z zasady wariacyjnej, wyprowadzono równanie typu Hartree-Focka dla jednoelektronowej radialnej funkcji falowej.
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Spectroscopic and photophysical properties of ZNTPP in a room temperature ionic liquid
PublikacjaThe steady-state absorption and emission spectra and the time-resolved Soret- and Q-band excited fluorescence profiles of the model metalloporphyrin, ZnTPP, have been measured in a highly purified sample of the common room temperature ionic liquid, [bmim][PF(6)]. S(2)-S(0) emission resulting from Soret-band excitation behaves in a manner completely consistent with that of molecular solvents of the same polarizability. The ionic...
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Application of Immunological Techniques (from Vaccination to FinalMeasurements) in Determination of Pharmaceutical Residues in Environmental Samples
PublikacjaWiele biologicznie aktywnych związków wytwarzanych przez człowieka trafia ostatecznie do środowiska. Ich los środowiskowy pozostaje nadal wyzwaniem dla analityków środowiskowych i osób odpowiedzialnych za szacowanie ryzyka. Artykuł przedstawia przegląd jednej z najszerszych i bezpośrednich metod analiz środowiskowych - immunoanalitykę - ze szczególnych uwzględnieniem jej zastosowania do oznaczania jakościowego i ilościowego pozostałości...
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Determination of chlorinated solvents in industrial water and wastewater by DAI- GC-ECD
PublikacjaA very simple and quick analytical method, basedon direct aqueous injection, for determination of halogenatedsolvents in refinery water and wastewater, is described.There is a need to determine halogenated solvents in refinerywater streams, because they may originate from severalprocesses. There is also a need to develop methods enablingVOX to be determined in samples containing oil fractions.The method described enables simultaneous...
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Theoretical study of polymerization mechanism of p-xylylene based polymers
PublikacjaObliczenia kwantowe mechanizmu polimeryzacji parylenów, opartych o cząsteczki p-ksylilenów. Praca zawiera wyniki szczegółowych obliczeń wszystkich etapów polimeryzacji, wnioski dotyczące znalezionych stanów kwantowych i energetyki poszczególnych etapów procesu.
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Review: synthetic polymer hydrogels for biomedical applications
PublikacjaSynthetic polymer hydrogels constitute a group of biomaterials, used in numerous biomedical disciplines, and are still developing for new promising applications. The aim of this study is to review information about well known and the newest hydrogels, show the importance of water uptake and cross-linking type and classify them in accordance with their chemical structure.
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Application of headspace-solid phase microextraction followed by gas chromatography-mass spectrometry to determine short-chain alkane monocarboxylic acids in aqueous samples
PublikacjaCelem prowadzonych badań było opracowanie metodyki oznaczania krótkołańcuchowych kwasów alkanomonokarboksylowych (KKA), opartej na ich izolowaniu i wzbogacaniu za pomocą techniki HS-SPME, a następnie oznaczaniu za pomocą chromatografii gazowej sprzężonej ze spektrometrią mas (GC-MS). Do ekstrakcji zastosowano włókno pokryte polarną fazą stacjonarną opartą na glikolu polietylenowym (PEG). Dla celów porównawczych zastosowano również...
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Fate of Ionic Liquids in Soils and Sediments
PublikacjaZrozumienie losu cieczy jonowych w glebach i osadach dennych jest istotnym elementem ich implementacji z zachowaniem idei zrównoważonego rozwoju. Niniejsza publikacja zawiera analizę i podsumowanie danych dotyczących oddziaływań cieczy jonowych w roztworach wodnych oraz agregacji na powierzchniach stałych. Zaobserwowano, że silnie lipofilowe ciecze jonowe zawierające długi łańcuch węglowodorowy lub duży organiczny anion wykazują...
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Monitoring and analytics of semivolatile organic compounds (SVOCs) in indoor air
PublikacjaThis paper reviews literature information on the behaviour of semivolatile organic compounds (SVOCs) in the indoor environment, as well as the most likely emission sources. The consecutive stages of analytical procedures used for monitoring SVOCs in indoor environments are described. The most common approaches used for collecting samples from the gas and particulate phases are mentioned. The paper discusses and compares various...
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On the derivative of the associated Legendre function of the first kind of integer order with respect to its degree (with applications to the construction of the associated Legendre function of the second kind of integer degree and order).
PublikacjaWyprowadzono szereg zamkniętych wyrażeń dla pochodnych stowarzyszonej funkcji Legendre'a pierwszego rodzaju względem jej dolnego indeksu w przypadku, gdy górny indeks jest liczbą całkowitą. Wyniki zastosowano do znalezienia pewnych nowych reprezentacji (w tym typu Rodriguesa) stowarzyszonych funkcji Legendre'a drugiego rodzaju o indeksach całkowitych.
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Sample preparation procedure for the determination of polycyclic aromatic hydrocarbons in petroleum vacuum residue and bitumen
PublikacjaThis paper describes a novel method of samplepreparation for the determination of trace concentrations ofpolycyclic aromatic hydrocarbons (PAHs) in high-boilingpetroleum products. Limits of quantitation of the investigatedPAHs in materials of this type range from tens ofnanograms per kilogram to <20 μg/kg. The studies revealedthat in order to separate most of interferences from theanalytes without a significant loss of PAHs, it...
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Employment of passive sampling in monitoring indoor air quality in selected residences in a Tri-city area in Poland
PublikacjaTime-weighted average concentrations of selected volatile compounds were measured in chosen residences in a Tri-City area of Poland by means of passive sampling. The results were compared to those obtained by dynamic technique – sorption tubes filled with Tenax TA sorbent. Results obtained by employing the two techniques were similar. Total volatile organic compound (TVOC) parameters were also determined. An attempt was also...
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Joint time–frequency analysis of electrochemical noise
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Instantaneous impedance spectra of a non-stationary model electrical system
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Passive sampling and/or extraction techniques in environmental analysis: a review
PublikacjaThe current state-of-the-art of passive sampling and/or extraction methods for long-term monitoring of pollutants in different environmental compartments is discussed in this review. Passive dosimeters that have been successfully used to monitor organic and inorganic contaminants in air, water, sediments, and soil are presented. The application of new approaches to the determination of pollutants at the sampling stage is discussed....
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Frequency dispersion of harmonic components of the current of an electrode process
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Influence of the analyzing window on electrode impedance measurement by the continuous frequency scanning method
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Theoretical description of the measuring method of instantaneous impedance spectra
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Application of Discrete Wavelet Transform in the Analysis of Nonlinear Chemical System
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An evaluation of sucrose as a possible contaminant in e-liquids for electronic cigarettes by hydrophilic interaction liquid chromatography–tandem mass spectrometry
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18th European Symposium on Radiopharmacy and Radiopharmaceuticals
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CROSSLINKING OF EPOXY-OLIGOESTERIC MIXTURES IN THE PRESENCE OF DIOXYDIPHENYLPROPANE DIGLYCIDYL ETHER MODIFIED WITH ADIPIC ACID
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Microwave Assisted Liquefaction with Crude Glycerol as a Potential Method of Brewer’s Spent Grain Utilization
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Spectral assignment and proton transfer studies ofN-(R-salicylidene)-1-amino-1-deoxy-d-sorbitols
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RECENT DEVELOPMENTS IN POLYURETHANE FOAMS CONTAINING LOW-COST AND PRO-ECOLOGICAL MODIFIERS
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Driving proton transfer reactions in the 2-methylfuran ring with external forces
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Comparison of the characteristics of gold nanoparticles synthesized using aqueous plant extracts and natural plant essential oils of Eucalyptus globulus and Rosmarinus officinalis
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Relativistic electron beams above thunderclouds
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Theoretical studies of the dependence of nuclear quadrupole coupling constants on intermolecular forces
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Solvent effects on the nitrogen NMR chemical shifts in 1-methylazoles – a theoretical study
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Hanging drop cathode-atmospheric pressure glow discharge as a new method of sample introduction for inductively coupled plasma-optical emission spectrometry
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