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Wyniki wyszukiwania dla: elliptic potential
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Evaluating the health risks of potentially toxic elements through wheat consumption in multi-industrial metropolis of Faisalabad, Pakistan
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C-1311 (Symadex), a potential anti-cancer drug, intercalates into DNA between A and G moieties. NMR-derived and MD-refined stereostructure of the d(GAGGCCTC) 2 :C-1311 complex
PublikacjaImidazoacridinone C-1311 (Symadex®) is an antitumor agent which has been recommended for Phase II clinical trials a few years ago. Previously, it was shown experimentally that during the initial stage of its action C-1311 forms stable intercalation complexes with DNA duplexes. Herein, a NMR-derived stereostructure of d(GAGGCCTC)2:C-1311 complex was reported. The ligand was found locating itself between A and G moieties, forming...
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Synthesis and molecular structure of novel 2-(alkylthio)-4-chloro-N-(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamideswith potential anticancer activity
PublikacjaOtrzymano 15 nowych związków: 2-(alkilotio)-4-chloro-N-(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-5-metylobenzenosulfonamidów, dla których opracowano nową metodę syntezy. Dla jednej pochodnej wyznaczono strukturę rentgenowską. Związek nr 36 wykazuje wysoką aktywność przeciwnowotworową w stosunku do 13 linii komórek nowotworowych o poziomie GI_50 w zakresie stężeń 1,9-3,0 μM.
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Ellipticity of gradient poroelasticity
PublikacjaWe discuss the ellipticity properties of an enhanced model of poroelastic continua called dilatational strain gradient elasticity. Within the theory there exists a deformation energy density given as a function of strains and gradient of dilatation. We show that the equilibrium equations are elliptic in the sense of Douglis–Nirenberg. These conditions are more general than the ordinary and strong ellipticity but keep almost all...
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Molecular Simulation Study of the Potentials of Mean Force for the Interactions between Models of Like-Charged and between Charged and Nonpolar Amino Acid Side Chains in Water
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Geochemical fractionation and spectroscopic fingerprinting for evaluation of the environmental transformation of potentially toxic metal(oid)s in surface–subsurface soils
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Operational control on environmental safety of potentially toxic elements during thermal conversion of metal-accumulator invasive ragweed to biochar
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Recent phytochemical and pharmacological advances in the genus Potentilla L. sensu lato – An update covering the period from 2009 to 2020
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Potentially positive ageing-related variations of medial smooth muscle cells in the saphenous veins used as aortocoronary bypass grafts
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The circle object detection with the use of Msplit estimation
PublikacjaThe paper presents the use of Msplit(q) - estimation in the filtration and aggregation of point clouds containing a known number of elliptical shapes with preliminary unknown - locations and dimensions. These theoretical solutions may have practical relevance especially in the modelling of terrestrial laser scanning data of objects that have similar shape to circles. Mentioned shapes can be scanned of tree trunks, columns, gutters,...
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Exsolution of Ni nanoparticles on the surface of cerium and nickel co-doped lanthanum strontium titanate as a new anodic layer for DIR-SOFC. Anti-coking potential and H2S poisoning resistance of the prepared material
PublikacjaThe aim of this study was to evaluate a new catalytic material for biogas fueled DIR-SOFC. This material was a perovskite-type SrTiO3 doped with La, Ce and Ni of a general formula La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-σ (LSCNT). Additional preparation steps were undertaken to promote a nickel exsolution process. Heat post-treatment of powders in a humidified H2 resulted in an intensive growth of nickel nanoparticles (NPs) while the temperature...
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Oscylacje różnicy potencjału elektrochemicznego między fazami oscylatora z membraną ciekłą zawierającego bromek heksadecylotrimetyloamoniowy.Oscyllations of electrochemical potential difference between phases of liquid membrane oscillator containing heksadecyltrimethylammonium bromide.
PublikacjaBadano zmiany różnicy potencjału elektrochemicznego między fazami wodnymi oscylatora z membraną ciekłą zawierającego bromek heksadecylotrimetyloamoniowy przy zastosowaniu mikroelektrod Ag/AgCl/Cl. Stwierdzono, iż główny udział do różnicy potencjału elektrochemicznego między fazami wodnymi, wnoszą różnice potencjału między odpowiednią faza wodną i membraną ciekłą. Wartości obliczone z poszczególnych składowych są w bardzo dobrej...
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Simple Physics-Based Analytical Formulas for the Potentials of Mean Force for the Interaction of Amino Acid Side Chains in Water. IV. Pairs of Different Hydrophobic Side Chains
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Estimating the pollution characteristics and health risks of potentially toxic metal(loid)s in urban-industrial soils in the Indus basin, Pakistan
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Characterizing pollution indices and children health risk assessment of potentially toxic metal(oid)s in school dust of Lahore, Pakistan
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Systematic investigation on combustion characteristics and emission-reduction mechanism of potentially toxic elements in biomass- and biochar-coal co-combustion systems
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Assessment of potentially cutting GHG emissions from shipping in relation to energy consumption trends using Fuzzy Analytic Hierarchy Process
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Holistic collision avoidance decision support system for watchkeeping deck officers
PublikacjaThe paper presents a 3-stage synthesis-based Decision Support System for watchkeeping deck officers. Its functional scope covers conflict detection, maneuver selection, and maneuver execution, all phases supplemented by collision alerts. First, a customized elliptic ship domain is used for checking if both OS and TS will have enough free space. A survey-based navigators’ declarative OS arena is then used to determine the time at...
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The 41Σ+ electronic state of LiCs molecule
PublikacjaThe 41Σ+ state of LiCs molecule is observed experimentally for the first time. The inverted perturbation approach (IPA) method is used to derive the potential energy curve of the state from the measured spectra. The experiment is accompanied by theoretical calculations of adiabatic potentials for excited states in LiCs including 41Σ+, performed with the MOLPRO program package. The irregular shape of the 41Σ+ state potential predicted...
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Evaluation of floor-wise pollution status and deposition behavior of potentially toxic elements and nanoparticles in air conditioner dust during urbanistic development
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Investigating the uptake and acquisition of potentially toxic elements in plants and health risks associated with the addition of fresh biowaste amendments to industrially contaminated soil
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Pollution characteristics and human health risks of potentially (eco)toxic elements (PTEs) in road dust from metropolitan area of Hefei, China
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Chromatographic analysis of extracts isolated from different poplar species as potential inhibitors of enzymatic hydrolysis Analiza chromatograficzna substancji ekstrakcyjnych pozyskanych z różnych odmian topoli jako potencjalnych inhibitorów hydrolizy enzymatycznej
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Towards temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. I: Molecular dynamics study of a pair of methane molecules in water at various temperatures
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In silico modelling for predicting the cationic hydrophobicity and cytotoxicity of ionic liquids towards the Leukemia rat cell line, Vibrio fischeri and Scenedesmus vacuolatus based on molecular interaction potentials of ions
PublikacjaIn this study we present prediction models for estimating in silico the cationic hydrophobicity and the cytotoxicity (log [1/EC50]) of ionic liquids (ILs) towards the Leukemia rat cell line (IPC-81), the marine bacterium Vibrio fischeri and the limnic green algae Scenedesmus vacuolatus using linear free energy relationship (LFER) descriptors computed by COSMO calculations. The LFER descriptors used for the prediction model (i.e....
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Synthesis, molecular structure, and metabolic stability of new series of N' -(2-alkylthio-4-chloro-5-methylbenzenesulfonyl)-1-(5-phenyl-1 H -pyrazol-1-yl)amidine as potential anti-cancer agents
PublikacjaA series of new N'-(2-alkylthio-4-chloro-5-methylbenzenesulfonyl)-1-(5-phenyl-1H-pyrazol-1-yl)amidine derivatives have been synthesized and evaluated in vitro by MTT assays for their antiproliferative activity against cell lines of colon cancer HCT-116, cervical cancer HeLa and breast cancer MCF-7. The studied compounds display selective activity mainly against HCT-116 and HeLa cells. Thus, five compounds show selective cytotoxic...
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A critical review on biochar-assisted free radicals mediated redox reactions influencing transformation of potentially toxic metals: Occurrence, formation, and environmental applications
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Morpho-chemical characterization and source apportionment of potentially toxic metal(oid)s from school dust of second largest populous city of Pakistan
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Method development and validation for optimized separation of quercetin derivatives in selected Potentilla species using high-performance thin-layer chromatography photodensitometry method
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Concentration of Potentially Bioactive Compounds in Italian Extra Virgin Olive Oils from Various Sources by Using LC-MS and Multivariate Data Analysis
PublikacjaHigh quality extra virgin olive oils represent an optimal source of nutraceuticals. The European Union (EU) is the world’s leading olive oil producer, with the Mediterranean region as the main contributor. This makes the EU the greatest exporter and consumer of olive oil in the world. However, small olive oil producers also contribute to olive oil production. Beneficial effects on human health of extra virgin olive oil are well...
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Reply to “Comment on ‘Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials: Role of the Dipole Moment Correction Term in Successful Predictions'” by B. P. van Eijck and J. Kroon
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Arylated carbon nanotubes for biobatteries and biofuel cells
PublikacjaSinglwalled carbon nanotubes (swcnts)covalently phenylated, napthylated or terphenylated were used for the construction of cathodes in a biobattery and in a biofuel cell. zn is the anode in the biobaterry and single-walled carbon nanotubes are covalently modified with glucose oxidase/catalase (swcnt-gox/cat) and the biofuel cell anode. the cell parameters were determined and the potentials of each of the electrodes under cell working...
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A. Computational analysis by molecular docking of thirty alkaloid compounds from medicinal plants as potent inhibitors of SARS-CoV-2 main protease(2020). Focused on analysis of the Medicinal plants that have potential therapeutic ability against COVID-19.
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Do positrons measure atomic and molecular diameters?
PublikacjaWe report on density functional calculations (DFT) of elastic integral scattering cross-sections for positron collisions with argon, krypton, nitrogen and methane. The long-range asymptotic polarization potential is described using higher-order terms going much beyond an induced dipole potential (−α / r 4) while the short-range interaction is modeled by two different forms of electron – positron correlation potential (Boroński-Nieminen...
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Comparative effects of biochar-nanosheets and conventional organic-amendments on health risks abatement of potentially toxic elements via consumption of wheat grown on industrially contaminated-soil
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Evaluation of potentially toxic elements’ (PTEs) vertical distribution in sediments of Gafsa–Metlaoui mining basin (Southwestern Tunisia) using geochemical and multivariate statistical analysis approaches
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Direct-Ultrasonic Assisted Microextraction Coupled with RTL-GC-FID/GC-MS as a Future Standard Procedure for Monitoring 26 potentially Allergenic Fragrances in Water Samples
PublikacjaThis research topic grew up as a result of awareness of constant anthropogenic and natural input to the environment constituents of personal care products (PCPs) residues. This group of emerging pollutants encompasses a wide range of chemicals, including potentially allergenic fragrance compounds. The aim of the present study was to investigate presence of 26 fragrance allergens in water samples. Simple and rapid methodology based...
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NON-LOCAL VOLUMETRIC APPROACH TO ANALYSIS DEFECT'S SHAPE INFLUENCE ON SPECIMENS DURABILITY SUBJECTED TO BENDING AND TORSION
PublikacjaThe influence of defect features on fatigue behaviour is a complex trivial issue. Although the important advances over the last decades, the dialectical relationship between the defect orientation and durability is not clearly understood. The paper aims at studying the influence of the orientation of elliptical defects on the durability of samples made of C45 steel. Three types of samples with elliptical defects were subjected...
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On existence and uniqueness of weak solutions for linear pantographic beam lattices models
PublikacjaIn this paper, we discuss well-posedness of the boundary-value problems arising in some “gradientincomplete” strain-gradient elasticity models, which appear in the study of homogenized models for a large class ofmetamaterials whosemicrostructures can be regarded as beam lattices constrained with internal pivots. We use the attribute “gradient-incomplete” strain-gradient elasticity for a model in which the considered strain energy...
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Tetracycline and ampicillin resistance of Escherichia coli strains of surface water origin: the potential for horizontal transfer of resistance genes = Oporność na tetracyklinę i ampicylinę szczepów Escherichia Coli wyizolowanych z wody powierzchniowej : możliwość horyzontalnego przenoszenia genów oporności
PublikacjaThe aim of this preliminary study was to assess the occurrence and molecular diversity of tetracycline and ampicillin resistance genes carried by Escherichia coli present in surface water. Bacterial strains were isolated from two watercourses (the Reda River and the Oliwski Stream) that influence the quality of coastal waters in the Gdańsk Bay (Northern Poland) by direct discharge. The bacterial drug susceptibility, tested against...
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POTENTIAL APPLICATIONS OF ELECTRONIC NOSE BASED ON ULTRA FAST GAS CHROMATOGRAPHY TO DISTINGUISH ALCOHOLIC BEVERAGES MADE OF GRAIN = POTENCJALNE MOŻLIWOŚCI ZASTOSOWANIA ELEKTRONICZNEGO NOSA OPARTEGO NA ULTRA SZYBKIEJ CHROMATOGRAFII GAZOWEJ DO ODRÓŻNIANIA NAPOJÓW SPIRYTUSOWYCH POCHODZENIA ZBOŻOWEGO
PublikacjaStan środowiska a zwłaszcza powietrza ma wpływ na wiele aspektów życia, m in. na jakość produktów spożywczych. Z tego względu niezwykle ważne jest monitorowanie stanu środowiska, które odbywa się za pomocą wielu technik analitycznych. Jedną z nich jest elektroniczny nos. Pierwotnie elektroniczny nos był wykorzystywany tylko do badania uciążliwości zapachowej powietrza. Obecnie technika ta wykorzystywana jest również do monitorowania...
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Toward a universal Embedded-Atom Method: II. A set of transferable denisty and dimmer referenced embedding energy functions for all elements of the periodic table as tool for removing two gauge degrees of freedom in EAM potentials
PublikacjaZestaw kluczowych właściwości homodwuatomowych cząsteczek o Z ≤ 103 (równowagowa odległość między atomami re, energia dysocjacji DO, Liczba falowa drgań ωe) zostały zestawione na bazie dostępnych danych eksperymantalnych oraz obliczeń za pomocą teorii funkcjonałów gęstości elektronowej B3LYP/SBKJC.
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Influence of biochar produced from negative pressure-induced carbonization on transformation of potentially toxic metal(loid)s concerning plant physiological characteristics in industrially contaminated soil
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Highly linear CMOS triode transconductor for VHF applications
PublikacjaA high-speed, fully balanced complementary-symmetry metal-oxide-semiconductor (CMOS) triode transconductor is presented. The proposed approach exploits a pseudo-differential-pair triode configuration with a simple adaptive circuit stabilising the drain-to-source voltages of metal-oxide-semiconductor (MOS) transistors. Since no additional active circuits (apart from the resistors made of the cut-off MOS devices) and no feedback...
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Application of advanced spectroscopic methods in the assessment of the leachability degree of hazardous elements from the matrix of cellular concretea
PublikacjaDue to its structure, autoclaved cellular concrete exhibits good insulating properties with relatively high compressive strength values. It is increasingly used in construction because of its economic attractiveness. Autoclaved cellular concrete is mainly used in interior structure layers, and therefore its potential exposure to heavy metal leaching from the matrix may be related to the presence of a high pH medium from other materials...
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Resonant Frequencies in the Open Microstrip Structures Placed on Curved Surfaces
PublikacjaThe paper presents the research on open microstrip structures placed on curved surfaces such as cylindrical, elliptical or spherical. The numerical analysis of investigated structures is based on expansion of electric and magnetic fields into suitable function series. Utilizing the continuity conditions the boundary problem is formulated which is solved with the use of method of moments. The investigated structures find application...
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The influence of polarization of titania nanotubes modified by a hybrid system made of a conducting polymer PEDOT and Prussian Blue redox network on the Raman spectroscopy response and photoelectrochemical properties
PublikacjaIn this work we show the impact of applied potential on network vibrations and photoelectrochemical properties of a composite material containing hydrogenated titania nanotubes and poly (3,4-ethylenedioxythiophene) with iron hexacyanoferrate (H-TiO2/pEDOT:Fehcf) acting as a redox centre. For this purpose, Raman spectroscopy measurements under the working electrode (WE) polarization were carried out, allowing investigation of changes...
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Nano-engineered diamond-based materials for supercapacitor electrodes: A review
PublikacjaOwing to the popularity of carbon-based supercapacitors, diamond has also been examined as a potential candidate with unique advantages such as a wide electrochemical potential window and stable capacitive behavior in both aqueous and non-aqueous electrolytes. Moreover, its chemical stability in harsh environments at extreme applied potential and current provides rare opportunities for designing new supercapacitors. Owing to the...
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Physics-Based Coarse-Grained Modeling in Bio- and Nanochemistry
PublikacjaCoarse-grained approaches, in which groups of atoms are represented by single interaction sites, are very important in biological and materials sciences because they enable us to cover the size- and time-scales by several orders of magnitude larger than those available all-atom simulations, while largely keeping the details of the systems studied. The coarse-grained approaches differ by the scheme of reduction and by the origin...
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A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. III. Determination of scale-consistent backbone-local and correlation potentials in the UNRES force field and force-field calibration and validation
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