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Search results for: SIMPLEX
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The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublicationDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
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Impact of High Pressure on Metallophilic Interactions and Its Consequences for Spectroscopic Properties of a Model Tetranuclear Silver(I)–Copper(I) Complex in the Solid State
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A Novel Electrochemical Sensor Based on Graphene Oxide Nanosheets and Ionic Liquid Binder for Differential Pulse Voltammetric Determination of Droxidopa in Pharmaceutical and Urine Samples
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Particle swarm optimization–artificial neural network modeling and optimization of leachable zinc from flour samples by miniaturized homogenous liquid–liquid microextraction
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Synthesis of UiO-66-OH zirconium metal-organic framework and its application for selective extraction and trace determination of thorium in water samples by spectrophotometry
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Highly Sensitive Determination of Bisphenol A in Bottled Water Samples by HPLC after Its Extraction by a Novel Th-MOF Pipette-Tip Micro-SPE
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Iminodiacetate complex of cobalt(II) – Structure, physicochemical characteristics, biological properties and catalytic activity for 2-chloro-2-propen-1-ol oligomerization
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Intercalation complex of imidazoacridinone C-1311, a potential anticancer drug, with DNA helix d(CGATCG)2: stereostructural studies by 2D NMR spectroscopy.
PublicationImidazoacridinone C-1311 (Symadex®) is a powerful antitumor agent, which successfully made its way through the Phase I clinical trials and has been recommended for Phase II few a years ago. It has been shown experimentally that during the initial stage of its action C-1311 forms a relatively stable intercalation complex with DNA, yet it has shown no base-sequence specificity while binding to DNA. In this paper, the d(CGATCG)2:C-1311...
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Determination of modifier contents in polymer-modified bitumens and in samples collected from the roads using high performance gel permeation/size exclusion chromatography
PublicationThis paper describes application of high performance gel permeation/size exclusion chromatography (HP-GPC/SEC) for the determination of content of polymer modifiers in modified road bitumens. The obtained results were compared with the measurements based on the procedure recommended by the American Association of State Highway and Transportation Officials, which employs Fourier transform mid-infrared spectroscopy (mid-IR FTIR)....
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Monitoring of occupational exposure to volatile organohalogen solvents (VOXs) in human urine samples of dry-cleaner workers by TLHS-DAI-GC-ECD procedure
PublicationChlorinated hydrocarbon solvents are often used for dry-cleaning clothes in the laundry industry. The object of this study was to monitor the occupational exposure of dry-clean employees coming into contact with VOXs. 25 workers collected their urine samples before the work shift, after 4 hours of work and after the work shift. The analyses of urine samples and solvents used in dry-cleaning were performed using TLHS-DAI-GC-ECD....
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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
PublicationCelem 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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Application of analytical procedure based on accelerated solvent extraction and ion chromatography technique for determination of thiocyanate and other inorganic ions in human placenta samples
PublicationExposure of a pregnant woman during pregnancy is a special case of exposure to toxic substances. Samples of placenta collected for the studies had been prepared with the technique of accelerated solvent extraction and later analyzed for the presence of thiocyanate ion and other inorganic ions, with the use of the technique of ion chromatography. The concentration of thiocyanate ion in placenta samples collected from active smokers...
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Application potential of dummy molecularly imprinted polymers as solidphase extraction sorbents for determination of low-mass polybrominated diphenyl ethers in soil and sediment samples
PublicationDespite the introduction of restrictive regulations in the USA and the European Union, polybrominated diphenyl ethers (PBDEs) are still found in various types of environmental and biological samples at significant concentration levels. The presence of these persistent organic pollutants in the environment raises important issues because of their negative impact on immunological and neurological systems, and on the hormonal balances...
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Solid-Contact Ion-Selective Electrodes with Highly SelectiveThioamide Derivatives of p-tert-Butylcalix[4]arene for theDetermination of Lead(II) in Environmental Samples
PublicationThioamide derivatives of p-tert-butylcalix[4]arene were used as ionophores in the development of solid-contact ion-selective electrodes based on conducting polymer poly(3,4-ethylenedioxythiophene)/polystyrene sulfonate (PEDOT/PSS) which was synthesized by electrodeposition on the glassy carbon electrodes. The typical ion-selective membranes with optionally two different plasticizers [bis(2-ethylhexyl)sebacate (DOS) and 2-nitrophenyl...
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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
PublicationIn 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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Enhanced Mechanical and Electromechanical Properties of Compositionally Complex Zirconia Zr1–x(Gd1/5Pr1/5Nd1/5Sm1/5Y1/5)xO2−δ Ceramics
PublicationCompositionally complex oxides (CCOs) or high-entropy oxides (HEOs) are new multi-element oxides with unexplored physical and functional properties. In this work, we report fluorite structure derived compositionally complex zirconia with composition Zr1- x(Gd1/5Pr1/5Nd1/5Sm1/5Y1/5)xO2-δ (x = 0.1 and 0.2) synthesized in solid-state reaction route and sintered via hot pressing at 1350 °C. We explore the evolution of these oxides'...
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An insight into the mixed quantum mechanical-molecular dynamics simulation of a ZnII-Curcumin complex with a chosen DNA sequence that supports experimental DNA binding investigations
PublicationAn important aspect of research pertaining to Curcumin (HCur) is the need to arrest its degradation in aqueous solution and in biological milieu. This may be achieved through complex formation with metal ions. For this reason, a complex of HCur was prepared with ZnII, that is not likely to be active in redox pathways, minimizing further complications. The complex is monomeric, tetrahedral, with one HCur, an acetate and a molecule...
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Application of chemometric modeling for ionic liquid-based ultrasonic-assisted dispersive liquid-liquid microextraction: Analysis of fosetyl-aluminum in fruit and vegetable samples
PublicationThis manuscript presents a new method for selective extraction and determination of fosetyl-aluminum in fruits and vegetable samples based on ultrasonic-assisted dispersive liquid-liquid microextraction method using ionic liquids (IL-UA-DLLME). A UV-Visible spectrophotometer was used for detection and quantification. Plants used for sample collection were grown under controlled conditions in a greenhouse. Central composite design...
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Determination of organotin compounds in biological samples using accelerated solvent extraction, sodium tetraethylborate ethylation, and multicapillary gas chromatography flame photometric detection.
PublicationPrzedstawiono metodę oznaczania związków cynoorganicznych w próbkach biologicznych. Procedura oparta jest na wykorzystaniu ekstrakcji pod zwiększoną temperaturą i ciśnieniem (ASE) do izolacji związków cynoorganicznych z próbek wątroby morświnów odłowionych w Morzu Bałtyckim. Walidacji metody dokonano na podstawie analizy materiału odniesienia NIES No 11.
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Modern solutions in the field of microextraction using liquid as a medium of extraction
PublicationThe monitoring of compounds present in samples at trace/ultra-trace level usually requires a preliminary step of isolation and/or enrichment of analytes. Against, sample preparation is considered as crucial part of whole analytical procedures, in particular in samples characterized by complex matrices composition. Several new miniaturized extraction techniques is introduced and extensively applied to different type of samples....
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Temperature Evolution, Material Flow, and Resulting Mechanical Properties as a Function of Tool Geometry during Friction Stir Welding of AA6082
PublicationThe friction stir welding process was simulated for joining AA6082 aluminum alloy with the use of the computational fluid dynamics method. Two different tool geometries were used—a tapered cylindrical pin (simple pin) and a hexagonal pin with grooves (complex pin). The analysis of the simulations performed was discussed in terms of temperature evolution during the process, total heat input, residual stresses and material flow....
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Reducing the number of periodic points in the smooth homotopy class of a self-map of a simply-connected manifold with periodic sequence of Lefschetz numbers
PublicationLet f be a smooth self-map of an m-dimensional (m >3) closed connected and simply-connected manifold such that the sequence of the Lefschetz num- bers of its iterations is periodic. For a fixed natural r we wish to minimize, in the smooth homotopy class, the number of periodic points with periods less than or equal to r. The resulting number is given by a topological invariant J[f] which is defned in combinatorial terms and is...
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Ultrasound-Assisted Solvent Extraction of a Porous Membrane Packed Sample for the Determination of Tobacco-Specific Nitrosamines in the Replacement Liquids for E-Cigarettes
PublicationThe content of tobacco-specific nitrosamines (TSNAs) possessing carcinogenic properties has been an important area of research since replacement liquids were introduced for e-cigarettes. A method for determining N′-nitrosonornicotine (NNN), 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), N′-nitrosoanatabine (NAT), and N′-nitrosoanabasine (NAB) in replacement liquids for electronic cigarettes was developed using liquid chromatography–tandem...
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Managing and funding the innovative path: a close look at the SimLE scientific club at Gdańsk University of Technology, Poland
PublicationThis article presents a case study of the simply learn experience (SimLE) scientific club at Gdańsk University of Technology (Gdańsk Tech), Gdańsk, Poland, showcasing an effective model for blending theoretical knowledge with practical engineering applications. This student-led organisation aims to develop soft skills and handson experience through project work, participation in international contests and conferences. This study...
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Combined extraction and microextraction techniques: Recent trends and future perspectives
PublicationThe latest advancements in the analytical sample preparation indicate a trend of combining different extraction techniques with targeting an improvement in separation, cleanup, detection limits, enrichment factors, and dealing with complex matrices. This manuscript identifies mainly two groups of combined sample preparation techniques. The first group integrates conventional or enhanced extraction techniques with microextraction....
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Efficient, fast, simple, and eco-friendly methods for separation of toxic chromium(VI) ions based on ion exchangers and polymer materials impregnated with Cyphos IL 101, Cyphos IL 104, or D2EHPA
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Fabrication of a Molecularly Imprinted Polymer Adsorbent for Pipette Tip Micro Solid-phase Extraction of Levofloxacin from Aqueous Samples Prior to its Spectrophotometric Determination
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Application of molecularly imprinted polymer pipette tip micro-solid phase extraction of nalidixic acid and acetaminophen from pills and seawater samples and their determination by spectrophotometry
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Fast determination of bisphenol A in spiked juice and drinking water samples by pipette tip solid phase extraction using cobalt metal organic framework as sorbent
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Application of In-Syringe Dispersive Liquid–Liquid Microextraction and Narrow-Bore Tube Dispersive Liquid–Liquid Microextraction for the Determination of Trace Amounts of BTEX in Water Samples
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Application of response surface methodology for silver nanoparticle stir bar sorptive extraction of heavy metals from drinking water samples: a Box–Behnken design
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DETERMINATION OF POLYCYCLIC AROMATIC HYDROCARBONS IN SOIL SAMPLES USING ULTRASONIC PROBE AND SALT-ASSISTED LIQUID-LIQUID EXTRACTION COUPLED WITH HIGH-PERFORMANCE LIQUID CHROMATOGRAPHY
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Determination of mefenamic acid in urine and pharmaceutical samples by HPLC after pipette-tip solid phase microextraction using zinc sulfide modified carbon nanotubes
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Application of Taguchi L16 design method for comparative study of ability of 3A zeolite in removal of Rhodamine B and Malachite green from environmental water samples
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Co-microprecipitation/flotation of trace amounts of cadmium from environmental samples through its complexation with iodide and neutralization with cetyltrimethylammonium bromide in the presence of perchlorate ions
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Power Grid Frequency Estimation Based on Zero Crossing Technique Using Least Squares Method to Approximate Sampled Voltage Signal Around Zero Level
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Solid-Contact Ion-Selective Electrodes with Highly Selective Thioamide Derivatives of p-tert-Butylcalix[4]arene for the Determination of Lead(II) in Environmental Samples
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Structure, physicochemical and biological properties of new complex salt of aqua-(nitrilotriacetato-N,O,O′,O″)-oxidovanadium(IV) anion with 1,10-phenanthrolinium cation
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Solid phase microextraction–comprehensive twodimensional gas chromatography–time-of-flight mass spectrometry: a new tool for determining PAHs in airport runoff water samples
Publicationfundamental aspect of airport operations is the pollution caused by airport runoff waters. Polycyclic aromatic hydrocarbons (PAHs) are one of the most important groups of xenobiotics which are commonly found in runoff water originating from airports. Only very limited data on the analysis of airport runoff water have been published until now. Therefore, a reliable and accurate analytical method based on headspace solid-phase microextraction...
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Current trends in analytical strategies for the determination of polybrominated diphenyl ethers (PBDEs) in samples with different matrix compositions – Part 2: New approaches to PBDEs determination
PublicationHerein, we review the latest technical solutions for polybrominated diphenyl ethers (PBDEs) determination in samples with different matrix compositions, largely focusing on gas chromatography but also presenting some liquid chromatography–based solutions. Moreover, we discuss the use of diverse sample injection techniques while considering the advantages and disadvantages of each injection system in the context of PBDEs analysis....
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Determination of bromhexine and its metabolites in equine serum samples by liquid chromatography – Tandem mass spectrometry: Applicability to the elimination study after single oral dose
PublicationBromhexine (BH), expectorant used in the treatment of respiratory disorders associated with viscid or excessive mucus, is not permitted for use in the competing horse by many authorities in horseracing and Olympic disciplines. Metabolic studies are of the great importance in anti-doping field because they allow for updating the selection of the most appropriate markers for prohibited substances, such as metabolites present at higher...
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The miniaturised emission chamber system and home-made passive flux sampler studies of monoaromatic hydrocarbons emissions from selected commercially-available floor coverings
PublicationThe estimation of the emission rate of organic compounds released from various types of indoor materials can be performed using stationary environmental test chambers (ETC) classified as ex-situ methods or small-scale portable analytical devices based on the use of passive technique at the stage of analytes sampling from the gaseous phase (in-situ methods). The paper presents results of emissions of selected organic compounds from...
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Discovery of small-molecule regenerative drugs using a model of complex tissue injury in mice. Transcriptomic responses of neurodevelopmental genes during pharmacologically induced regeneration
PublicationDespite significant development in regenerative medicine, there is a deficit of effective therapies for wound healing and tissue regeneration. Research performed using animal wound models allows for a better understanding of this complex process, searching for compounds with pro-regenerative properties, and assessing their efficacy and safety. Unfortunately, the lack of adequate preclinical models proves to be an issue as no animal...
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Izolacja lotnych związków organicznych z próbek wody. Metody i aparatura. Analysis of volatile organic compounds (VOCs) in water samples. Methods and apparatus.
PublicationOmówiono techniki wykorzystywane do przygotowania próbek wody do oznaczeń analitów z grupy lotnych związków organicznych (VOCs) za pomocą chromatografii gazowej. Opisano wady i zalety takich technik jak: bezpośrednie dozowanie próbki wody do kolumny chromatograficznej, ekstrakcja rozpuszczalnikiem, ekstrakcja do fazy stałej lub stacjonarnej, ekstrakcja membranowa oraz analiza fazy nadpowierzchniowej. Omówiono także nowe rozwiązania...
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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
PublicationThe influence of sucrose combustion products on smoking and nicotine addiction is still controversial because the presence of the sucrose may be treated as a source of aldehydes and organic acids. In e-liquids used as refills for electronic cigarettes, which are made primarily of poly(propylene glycol), glycerine and ethanol, sucrose may be present at trace levels, and its impact on mainstream smoke formation, and hence on human...
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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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Simple Physics-Based Analytical Formulas for the Potentials of Mean Force for the Interaction of Amino Acid Side Chains in Water. 3. Calculation and Parameterization of the Potentials of Mean Force of Pairs of Identical Hydrophobic Side Chains
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Polymeric porous membranes as solid support and protective material in microextraction processes: A review
PublicationPolymeric porous membranes have proven to be a versatile and efficient material for microextraction processes. In analytical practice, they are used both as a solid support and as a protective medium for improved sample preparation in various analytical applications. Polymeric porous membranes offer unique advantages in microextraction due to their large surface area and controllable pore size, eliminating interfering effects from...
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Recent developments and future trends in solid phase microextraction techniques towards green analytical chemistry
PublicationSolid phase microextraction find increasing applications in the sample preparation step before chromatographic determination of analytes in samples with a complex composition. These techniques allow for integrating several operations, such as sample collection, extraction, analyte enrichment above the detection limit of a given measuring instrument and the isolation of analytes from sample matrix. In this work the information about...
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Przegląd metod oznaczania pozostałości pestycydów i polichlorowanych bifenyli w próbkach żywności = Methods of determination of residues of pesticides and polychlorinated biphenyls in food samples - a review
PublicationOznaczanie pozostałości pestycydów i analitów z grupy polichlorowanych bifenyli w próbkach żywności wymaga zastosowania specyficznych technik w zakresie przygotowania próbki do analizy, jak i samych technik analizy instrumentalnej, pozwalających na uzyskanie bardzo niskiej granicy oznaczalności. Problemem związanym ze stosowaniem związków z grupy pestycydów i polichlorowanych bifenyli jest konieczność kontroli ich pozostałości...