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Why is the cubic structure preferred in newly formed ice?
PublikacjaMolecular dynamics was employed to explain the preference for the cubic structure in newly formed crystals of ice. The results showed that in supercooled liquid water the molecules connected by hydrogen bonds are more likely to adopt relative orientations similar to the ones characteristic for cubic ice. The observed preference for certain relative orientations of molecules in the hydrogen-bonded pairs results in the higher probability...
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Analysis of cyclone separator solutions depending on SEC outlet conditions in nCO2PP
PublikacjaUtilization of spray ejector condenser in order to carry out direct-contact condensation of vapour with inert gas (CO2) on a spray of subcooled liquid integrated with separator (to make pure CO2) has been proposed for the task of condensation and CO2 separation in the negative CO2 emission gas power plant. Condensation and separation has a significant impact on the thermodynamic efficiency of the entire negative CO2 emission gas...
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The luminescence study of Ga1.98–xAlxO3:0.02Cr3+ coumpounds.
Dane BadawczeA chemical and mechanical pressure-induced photoluminescence tuning method was developed through structural evolution and hydrostatic pressure involving phase transition. A series of Ga1.98−xAlxO3:0.02Cr3+ phosphors were synthesized by collaborators from National Taiwan University. Structural evolution reveals a crystal phase change with the incorporation...
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Leonard Komando MSc
OsobyPh.D. student at the Gdańsk University of Technology currently working on novel liquid-based thermoelectric cells.
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Ionic Liquids and Deep Eutectic Mixtures: Sustainable Solvents for Extraction Processes
PublikacjaIn recent years, ionic liquids and deep eutectic mixtures have demonstrated great potential in extraction processes relevant to several scientific and technological activities. This review focuses on the applicability of these sustainable solvents in a variety of extraction techniques, including but not limited to liquid- and solid-phase (micro) extraction, microwave-assisted extraction, ultrasound-assisted extraction and pressurized...
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Influence of nanoparticle concentration on thermal properties of thermal oil-MWCNT nanofluid
PublikacjaResults of the measurements of dynamic viscosity, thermal conductivity, electrical conductivity and pH of thermal oil-MWCNT (TO-MWCNT) nanofluid have been presented. Nanoparticles were tested at the concentration of 0.001%, 0.005%, 0.01%, 0.05%, and 0,1% by weight. Thermal oil (TO) was selected as a base liquid, because of possible application in ORC systems as an intermediate heating agent. Multi-walled carbon nanotubes were used...
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CERVIX UTERI, Exocervix - Female, 65 - Cell image [7050730000137571]
Dane BadawczeThis is the histopathological image of CERVIX UTERI cell sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Testing of DES toxicity towards Candida subhashii
Dane BadawczeDataset presents results of testing toxicity of selected DES solutions in mineral salt medium towards Candida subhashii.
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Novel materials and approaches for solid-phase (micro) extraction in LC-MS-based metabolomics
PublikacjaMetabolomics offers a unique approach to study biological systems. Liquid chromatography coupled to mass spectrometry serves as a powerful analytical tool to analyze complex mixtures of metabolites. However, successful metabolomic analysis relies on sample preparation. While untargeted analysis traditionally favors nonselective procedures like liquid-liquid extraction (LLE), these methods can compromise analytical performance due...
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SURFACTANTS IN KLODNICA RIVER (KATOWICE, POLAND). PART II. QUATERNARY AMMONIUM COMPOUNDS
PublikacjaThe paper presents methods of determination of analytes of the cation group (alkyl benzyl dimethyl ammonium (BDDA-C12-C16), alkyl trimethyl ammonium (TMA), hexadecyl piridinium (HP)) in surface water and bottom sediment samples. In the sample preparation phase the solid phase extraction (SPE) or accelerated solvent extraction/ultrasound assisted extraction (ASE/UAE)-SPE technique was used and in the identification phase and quantitative...
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Unusual behaviour of (Np,Pu)B2C
PublikacjaTwo transuranium metal boron carbides, NpB2C and PuB2C have been synthesized by argon arc melting. The crystal structures of the {Np,Pu}B2C compounds were determined from single-crystal X-ray data to be isotypic with the ThB2C-type (space group R3m, a = 0.6532(2) nm; c = 1.0769(3) nm for NpB2C and a = 0.6509(2) nm; c = 1.0818(3) nm for PuB2C; Z = 9). Physical properties have been derived from polycrystalline bulk material in the...
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Jacek Namieśnik prof. dr hab. inż.
OsobyUrodził się 10 grudnia 1949 r. w Mogilnie, zmarł 14 kwietnia 2019 r. w Gdańsku – polski chemik, profesor nauk chemicznych, specjalizujący się w chemii analitycznej i środowiskowej. Rektor Politechniki Gdańskiej w latach 2016–2019. Studia wyższe ukończył w 1972 r. na Wydziale Chemicznym Politechniki Gdańskiej, uzyskując tytuł magistra inżyniera chemika. W 1972 r. rozpoczął pracę na Politechnice Gdańskiej, gdzie w 1978 r. obronił...
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Usuwanie lotnych związków organicznych z fazy gazowej z zastosowaniem cieczy jonowych
PublikacjaUżycie cieczy jonowej do usuwania LZO jest limitowane przez rozpuszczalność usuwanych związków. Dane literaturowe sugerują, że ciecze jonowe jako faza membranowa mogą być z powodzeniem stosowane do selektywnej separacji węglowodorów aromatycznych z mieszanin węglowodorów aromatycznych i alifatycznych. Przedmiotem pracy było kompleksowe opisanie procesu separacji LZO z fazy gazowej z uwzględnieniem czynników wpływających na efektywność...
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Slurry Erosion -Design of Test Devices
PublikacjaDegradation of material caused by impacts of a solid particle (erodent) suspended in a liquid is called slurry erosion and is a major problem in the hydropower and maritime industry. Slurry erosion depends on many factors, e.g. liquid and erodent velocity, size, shape, angle of impact, hardness and number of erodents, and strength of a target material. The various types of test devices have been designed to investigate an effect...
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Application of a hybrid mechanistic/machine learning model for prediction of nitrous oxide (N2O) production in a nitrifying sequencing batch reactor
PublikacjaNitrous oxide (N2O) is a key parameter for evaluating the greenhouse gas emissions from wastewater treatment plants. In this study, a new method for predicting liquid N2O production during nitrification was developed based on a mechanistic model and machine learning (ML) algorithm. The mechanistic model was first used for simulation of two 15-day experimental trials in a nitrifying sequencing batch reactor. Then, model predictions...
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Solubility of carbon dioxide in water: Some useful results for hydrate nucleation
PublikacjaIn this paper, the solubility of carbon dioxide (CO2) in water along the isobar of 400 bar is determined by computer simulations using the well-known TIP4P/Ice force field for water and the TraPPE model for CO2. In particular, the solubility of CO2 in water when in contact with the CO2 liquid phase and the solubility of CO2 in water when in contact with the hydrate have been determined. The solubility of CO2 in a liquid–liquid...
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Flow Maps and Flow Patterns of R1233zd(E) in a Circular Minichannel at Low, Medium and High Values of Saturation Pressure
PublikacjaThere is a gap in knowledge regarding the flow pattern of low-boiling working fluids in the range of high saturation temperatures (above 120°C) and medium and high reduced pressures (0.5-0.9). Data are present in the literature for similar values of reduced pressures, but for lower values of saturation temperature. This is due to the existing refrigeration applications of these working fluids. At high values of reduced pressure,...
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The synthesis and structure of a potential immunosuppressant: N-mycophenoyl malonic acid dimethyl ester
PublikacjaThe synthesis of a potential immunosuppressant, i.e. dimethyl ester of N-mycophenoyl malonic acid was optimized in the reaction of mycophenolic acid (MPA) with amino malonic dimethyl ester in the presence of propanephosphonic anhydride (T3P) as a coupling reagent. The structural properties of the obtained MPA derivative were investigated by NMR, MS and single crystal X-ray diffraction methods. Theoretical considerations of conformational...
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Development of SPME fiber coatings with tunable porosity for physical confinement of ionic liquids as an extraction media
PublikacjaExtending the use of ionic liquids in sample preparation techniques remains a challenge. This paper presents procedures enabling the easy application of ionic liquids to the SPME technique. For this purpose, two approaches for producing a porous silica coating on a metal rod were investigated. Two silica precursor and porogen systems were used in the research: K2SiO3 + Formamide and Tetramethyl-orthosilicate + Polyethylene oxide....
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Removal of cyclohexane vapors from air in biotrickling filters: Effects of gas mixture composition and circular economy approach
PublikacjaThis work presents results of investigations on biotrickling filtration of air polluted with cyclohexane co-treated in binary, ternary and quaternary volatile organic compounds (VOCs) mixtures, including vapors of hexane, toluene and ethanol. The removal of cyclohexane from a gas mixture depends on the physicochemical properties of the co-treated VOCs and the lower the hydrophobicity of the VOC, the higher the removal efficiency...
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Comparitive study of heat transfer and pressure drop during flow boiling and flow condensation in minichannels
PublikacjaIn the paper a method developed earlier by authors is applied to calculations of pressure drop and heat transfer coefficient for flow boiling and also flow condensation for some recent data collected from literature for such fluids as R404a, R600a, R290, R32,R134a, R1234yf and other. The modification of interface shear stresses between flow boiling and flow condensation in annular flow structure are considered through incorporation...
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A new dilution-enrichment sample preparation strategy for expanded metabolome monitoring of human breast milk that overcomes the simultaneous presence of low- and high-abundance lipid species
PublikacjaThe complex nature of human breast milk (HBM) makes samples difficult to analyze, requiring several extraction techniques and analytical platforms to obtain high metabolome coverage. In this work, we combined liquid-liquid extraction (LLE) and solid-phase extraction (SPE) techniques to prepare HBM samples to overcome the challenge of low- and high-abundance lipid species, enabling the semiquantitative analysis of total HBM lipids...
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Novel complexes possessing Hg–(Cl, Br, I)⋯O=C halogen bonding and unusual Hg₂S₂(Br/I)₄ kernel. The usefulness of τ₄′ structural parameter
PublikacjaOne mononuclear and two binuclear Hg(II) complexes have been synthesized and characterized by X-ray diffraction, ATR IR and Hirshfeld surface analysis. Single-crystal X-ray diffraction showed that binuclear compounds are centrosymmetric and isostructural. All complexes form bifurcated intermolecular N–H···O hydrogen bonds that contribute to a formation of the centrosymmetric dimers. In binuclear complexes, sulfur atoms of thiourea...
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X-ray diffraction patterns of BaCe0.6Zr0.2Y0.1M0.1O3-δ (M = Fe, Pr, Tb)
Dane BadawczeThe dataset consists of three raw X-ray diffraction (XRD) files collected using a Phillips X’Pert Pro diffractometer (CuKα radiation (𝜆 = 1.541 Å), under 40 kV and 30 mA). The diffraction patterns of BaCe0.6Zr0.2Y0.1Fe0.1O3-δ (BCZYFe), BaCe0.6Zr0.2Y0.1Pr0.1O3-δ (BCZYPr), and BaCe0.6Zr0.2Y0.1Tb0.1O3-δ (BCZYTb) were collected at room temperature. Collected...
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Application of ionic liquids in microextraction techniques: Current trends and future perspectives
PublikacjaIonic liquids (ILs) with their unique properties found so far numerous analytical applications. Among them ILs both in their liquid form and immobilized on the surface or within the pores of a solid support were successfully utilized in microextraction techniques. The scope of this review will cover a comprehensive summarizing of available literature data on selected properties of ILs playing a key role in analytical purposes,...
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Spin-glass behavior in a binary Pr 3 Ir intermetallic compound
PublikacjaPolycrystalline Pr3Ir was synthesized by arc melting. Its cementite-type crystal structure (Pnma) was confirmed by powder X-ray diffraction and estimated lattice parameters are in agreement with literature. Physical properties were measured by means of the ac and dc magnetic susceptibility, electrical resistivity and heat capacity. Our results indicate spin-glass behavior in Pr3Ir with a freezing temperature Tf = 6.58 K and activation...
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CHARAKTERYSTYKA WYMIANY CIEPŁA I OPORÓW PRZEPŁYWU OMYWANIA MIKROSTRUGAMI ROZWINIĘTEJ POWIERZCHNI
PublikacjaW artykule przedstawiono eksperymentalne badania kompaktowego wymiennika ciepła z intensyfikacją przejmowania ciepła przy użyciu mikrostrug. Niniejszy artykuł przedstawia projekt i testy prototypu, wymiennika ciepła typu mikrostrugowego. Modułowa konstrukcja wymiennika umożliwia zmianę wymiarów geometrycznych, a także zmianę materiału przegrody wymiennika ciepła. Metoda graficzna Wilsona została z zastosowana w celu określenia...
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Analytical procedures for the determination of surfactants in environmental samples
PublikacjaBecause of their specific physical and chemical properties (amphiphilicity, solubility in polar and nonpolar liquids, ability to form micelles, adsorption at phase boundaries, low toxicity) surfactants (surface-active compounds) are widely applied in industry and in the household. As their applications are on a very large scale, it has become necessary to acquire a more detailed understanding of their environmental fate.In the...
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Miniaturized solid-phase extraction techniques
PublikacjaMore than 80% of analysis time is spent on sample collection and sample preparation, so sample preparation is a critical part of the analytical process. Traditionally, liquid-liquid extraction was developed and employed to screen for general unknowns. However, solid-phase extraction (SPE) is becoming highly popular as an alternative, due to its simplicity and economy in terms of time and solvent. This review summarizes the current...
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Determination of free tyrosine in equestrian supplements by LC–MS/MS and comparison of its quantity with total free amino acids content in view of doping control
PublikacjaThe reports on the probable beneficial impact of tyrosine (TYR) supplementation on performance enhancement have contributed to the growth of interest in TYR in equestrian sports field and related industries, such as the manufacture of dietary and nutritional supplements. In this study, the first attempt to the assessment of horses exposure to TYR during nutritional supplementation was demonstrated by quantification of unbound TYR...
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Numerical Study of the Impinging Jets Formed by an Injector with Different Nozzle Diameters
Dane BadawczeThe data set contains the simulation files related to the research paper “Numerical Study of the Impinging Jets Formed by an Injector with Different Nozzle Diameters”, https://doi.org/10.4271/2022-01-1080.
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Synthesis, spectroscopy and computational studies of some biologically important hydroxyhaloquinolines and their novel derivatives
PublikacjaA series crystalline compounds of methyl and phosphinyl derivatives of 2-methylquinolin-8-ol (1a) and related 5,7-dichloro-2-methylquinolin-8-ol (1b) were quantitatively prepared and characterized by microanalysis, IR, UV-vis and multinuclear NMR spectroscopy. Five of them have been characterized by single crystal X-ray diffraction method. The known compounds, 8-methoxy-2-methylquinoline (2a) and 8-methoxyquinoline (2d), were synthesised...
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Dimeric structure of the N-terminal domain of PriB protein from Thermoanaerobacter tengcongensis solved ab initio
PublikacjaPriB is one of the components of the bacterial primosome, which catalyzes the reactivation of stalled replication forks at sites of DNA damage. The N-terminal domain of the PriB protein from the thermophilic bacterium Thermoanaerobacter tengcongensis (TtePriB) was expressed and its crystal structure was solved at the atomic resolution of 1.09 Å by direct methods. The protein chain, which encompasses the first 104 residues of the...
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Synchrotron radiation photoemission spectroscopy of the oxygen modified CrCl3 surface
PublikacjaWe 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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Oxolane Ammonium Salts (Muscarine-Like)—Synthesis and Microbiological Activity
PublikacjaCommercially available 2-deoxy-D-ribose was used to synthesize the appropriate oxolane derivative—(2R,3S)-2-(hydroxymethyl)oxolan-3-ol—by reduction and dehydration/cyclization in an acidic aqueous solution. Its monotosyl derivative, as a result of the quaternization reaction, allowed us to obtain eight new muscarine-type derivatives containing a quaternary nitrogen atom and a hydroxyl group linked to the oxolane ring. Their structure...
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New coordination polymers based on a V-shaped ligand and lanthanides: Structural description and symmetry-luminescence correlation using europium as a probe
PublikacjaWe have synthesized new luminescent coordination polymers using 4,4'-sulfonyldibenzoic acid (H2SDA) and several lanthanide ions by open crystallization in DMF. Three different 1-D structures were obtained, as determined by single-crystal X-ray diffraction: [La(η2-NO3)(μ-SDA)(DMF)3]n (1), [Sm(η2-NO3)(μ-SDA)(DMF)2 2DMF]n (3), [Ln(η2-NO3)(μ-SDA)(DMF)2 DMF]n (Ln ¼ Eu (4), Dy (5), Ho (6), Er (7), Tm (8) and Lu(9)). A 2-D structure,...
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Visualizing spatially decomposed intermolecular correlations in the infrared spectra of aprotic liquids
PublikacjaInfrared (IR) spectroscopy is commonly used to study intermolecular interactions in the liquid phase, including solvation phenomena. On the other hand, ab initio molecular dynamics (AIMD) simulations offer the possibility to obtain IR spectra from first principles. Surpassing the experiment, AIMD simulations can deliver additional information on the spatial intermolecular correlations underlying the IR spectrum of the liquid. Although...
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Hydrophobic deep eutectic solvents in microextraction techniques–A review
PublikacjaOver the past decade, deep eutectic solvents (DES) have been widely studied and applied in sample preparation techniques. Until recently, most of the synthesized DES were hydrophilic, which prevented their use in the extraction of aqueous samples. However, after 2015 studies on the synthesis and application of hydrophobic deep eutectic solvents (HDES) has rapidly expanded. Due to unique properties of HDES i.e. density, viscosity,...
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Determination of Glycerol, Propylene Glycol, and Nicotine as the Main Components in Refill Liquids for Electronic Cigarettes
PublikacjaRefill liquids for electronic cigarettes are an important area of research due to the health safety and quality control of such products. A method was developed for the determination of glycerol, propylene glycol, and nicotine in refill liquids using liquid chromatography, coupled with tandem mass spectrometry (LC-MS/MS) in multiple reaction monitoring (MRM) mode with electrospray ionisation (ESI). Sample preparation was based...
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Electron attachment and electron iozization of acetic acid clusters embedded in helium nanodroplets
PublikacjaThe effect of incident electrons on acetic acid clusters is explored for the first time. The acetic acid clusters are formed inside liquid helium nanodroplets and both cationic and anionic productsejected in to the gas phase aredetected by mass spectrometry.
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Thermal Energy Development in Magnetohydrodynamic Flow Utilizing Titanium Dioxide, Copper Oxide and Aluminum Oxide Nanoparticles: Thermal Dispersion and Heat Generating Formularization
PublikacjaThe main aim of this article heat transfer in thermal engineering deals with the production, use, transformation, and transfer of thermal energy. Engineering and industrial fields including food packaging, the production of food additives, electronic cooling, microturbines, etc. heavily rely on heat transmission. Due to its intriguing potential in industries like the production of polymers, paper, crystal glass, etc., scientists...
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Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety
PublikacjaFour sulfonamide derivatives with a methoxyphenyl moiety, namely N-{4-[(2-methoxyphenyl)sulfamoyl] phenyl}acetamide (1a), N-{4-[(3-methoxyphenyl)sulfamoyl]phenyl}acetamide (1b), 4-amino-N-(2- methoxyphenyl)benzenesulfonamide (2a) and 4-amino-N-(3-methoxyphenyl)benzenesulfonamide (2b), have been synthesized and characterized physiochemically by CHNS, MS, FT-IR, 1H NMR, 13C NMR, PXRD and TG methods. Crystal structures were determined...
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The supramolecular organization of self-assembling chlorosomal bacteriochlorophyll c, d, or e mimics
PublikacjaBacteriochlorophylls (BChls) c, d, and e are the main light-harvesting pigments of green photosynthetic bacteria that self-assemble into nanostructures within the chlorosomes forming the most efficient antennas of photosynthetic organisms. All previous models of the chlorosomal antennae, which are quite controversially discussed because no single crystals could be grown so far from these organelles, involve a strong hydrogen-bonding...
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Manifestation of Intermolecular Interactions in the IR Spectra of 2- and 4-Methylmethcathinones Hydrochlorides: DFT Study and Hirshfeld Surfaces Analysis
PublikacjaThis paper reports a Hirshfeld surfaces analysis of crystalline 2- and 4-methylmethcathinone (2-MMC and 4-MMC) hydrochlorides to analyze NH∙Cl and CH∙∙∙Cl intermolecular interactions and approve the formation of the NН2+–Cl– salt fragment in both 2-MMC∙HCl and 4-MMC∙HCl crystals. Two isomeric dimers were separated from the corresponding crystal packing to model IR spectra of the crystalline 2-MMC∙HCl...
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The influence of azide and imidazole on the properties of Mn- and Cd-based networks: conductivity and nonlinear phenomena
PublikacjaWe report a study on a family of four new Mn- and Cd-azide-imidazolate-based compounds with various crystal architectures. Notably, three of these compounds display noncentrosymmetric crystal arrangements at room temperature, a rare phenomenon in hybrid organic–inorganic materials. Both nonlinear optical (NLO) and electrical phenomena in these compounds are observed. The NLO processes include second and third harmonic generation,...
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Solubility of Methane in Water: Some Useful Results for Hydrate Nucleation
PublikacjaIn this paper, the solubility of methane in water along the 400 bar isobar is determined by computer simulations using the TIP4P/Ice force field for water and a simple LJ model for methane. In particular, the solubility of methane in water when in contact with the gas phase and the solubility of methane in water when in contact with the hydrate has been determined. The solubility of methane in a gas–liquid system decreases as temperature...
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Zastosowanie addytywów w separacji pianowej białek serwatkowych i białek mlecznych
PublikacjaZaproponowano proces separacji pianowej do wydzielania białek ze strumieni poprodukcyjnych przemysłu mleczarskiego Ponadto zaproponowano zastosowanie w separacji pianowej białek serwatkowych i mlecznych addytywów dopuszczonych ustawą do stosowania w żywności. Jako cel pracy przyjęto uzyskanie wyników uzasadniających wybór takich addytywów, które intensyfikują przebieg i polepszają wynik procesu separacji pianowej białek. W części...
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Response of a steel tank during earthquakes and mining tremors - experimental investigation
PublikacjaCylindrical steel tanks are very popular shell structures used to store the products of chemical and petroleum industries. Any failure might have disastrous consequences, therefore their safety and reliability is essential. Earthquakes are the most dangerous and also the most unpredictable dynamic loads acting on such structures. On the other hand, mining tremors are usually considered to be less severe due to lower acceleration...
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Determination of 3,4-methylenedioxy-α-pyrrolidinobutiophenone (MDPB) in blood. A case report
PublikacjaSynthetic drugs, known as ‘‘legal highs’’, are still very popular on black market. The determination of their composition are required in courts of law and also to understand what potential users may be subjected to. The interest of new cathinones, e.g. MDPBP, is in view of psychoactive effects that they cause and that, in many cases, they are not controlled by law. The case outlined here concerns 19 years-old man, who was found...
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Novel Desorber for Online Drilling Mud Gas Logging
PublikacjaThis work presents the construction solution and experimental results of a novel desorber for online drilling mud gas logging. The traditional desorbers use mechanical mixing of the liquid to stimulate transfer of hydrocarbons to the gaseous phase that is further analyzed. The presented approach is based on transfer of hydrocarbons from the liquid to the gas bubbles flowing through it and further gas analysis. The desorber was...