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Search results for: hydrogen-like atom
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Preliminary studies of seamless flux cored wires stored in extreme conditions
PublicationIn the paper preliminary experimental studies of flux cored wires moisturized under controlled conditions are described. Three seamless wires of different grades have been placed in environmental chamber and moisturized in extremely adverse conditions (temperature T = 60° C, relative humidity H = 90%) for 240 hours. During this time measurements of weight gain and observations of surface of wires have been carried out. Also diffusible...
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Radio- and photosensitization of DNA with compounds containing platinum and bromine atoms
Publication. Irradiations of plasmid DNA by both X-rays and UV light in the presence and absence of compounds containing platinum and bromine atoms were performed in order to asses the sensitization potential of these compounds. Plasmid DNA pBR322 was incubated with platinum (II) bromide, hydrogen hexabromoplatinate (IV), hydrogen hexahydroxyplatinate (IV) and sodium hexahydroxyplatinate (IV). Incubation was followed by X-ray or UV irradiations....
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Fabrication of ILs-Assisted AgTaO3 Nanoparticles for the Water Splitting Reaction: The Effect of ILs on Morphology and Photoactivity
PublicationThe design of an active, stable and ecient photocatalyst that is able to be used for hydrogen production is of great interest nowadays. Therefore, four methods of AgTaO3 perovskite synthesis, such as hydrothermal, solvothermal, sol-gel and solid state reactions, were proposed in this study to identify the one with the highest hydrogen generation eciency by the water splitting reaction. The comprehensive results clearly show that...
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Comprehensive evaluation of physical properties and carbon dioxide capacities of new 2-(butylamino)ethanol-based deep eutectic solvents
PublicationThe aim of this research was to assess the impact of the components of alkanolamine deep eutectic solvents (DESs) on the physical properties of those DESs and their carbon dioxide capacity. To achieve this goal, novel deep eutectic solvents were synthesized by using 2-(butylamino)ethanol (BAE) as the hydrogen bond donor (HBD), along with tetrabutylammonium bromide TBAB), tetrabutylammonium chloride (TBAC), or tetraethy- lammonium...
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The Role of Electron Transfer in the Fragmentation of Phenyl and Cyclohexyl Boronic Acids
PublicationIn this study, novel measurements of negative ion formation in neutral potassium-neutral boronic acid collisions are reported in electron transfer experiments. The fragmentation pattern of phenylboronic acid is comprehensively investigated for a wide range of collision energies, i.e., from 10 to 1000 eV in the laboratory frame, allowing some of the most relevant dissociation channels to be probed. These studies were performed in...
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Management of Dark Fermentation Broth via Bio Refining and Photo Fermentation
PublicationLignocellulose and starch-based raw materials are often applied in the investigations regarding biohydrogen generation using dark fermentation. Management of the arising post-fermentation broth becomes a problem. The Authors proposed sequential processes, to improve the efficiency of both hydrogen generation and by-products management carried under model conditions. During the proposed procedure, the simple sugars remaining in...
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Molecular and structural characteristics of cod gelatin films modifiedwith EDC and TGase
PublicationCod gelatin films before and after cross-linking of gelatin with 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide (EDC) or transglutaminase (TGase) have been characterized by FT-IR spectroscopy and DSC analysis. For comparison, a film prepared from unmodified pig gelatin has been also analysed. The difference spectra showed that cod gelatin during the film formation involved first of all water-to-amide hydrogen bonds, and the film...
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Effect of electrode waterproof coating on quality of underwater wet welded joints
PublicationIn this paper, the effects of different hydrophobic coatings on the surface of covered electrodes on the quality of wet welded carbon steel joints were discussed. Commonly available hydrophobic substances used in industrial applications were selected for the research. The aim of using waterproof coatings was to check the possibility to decreasing the susceptibility of highstrength low-alloy S460N steel to cold cracking. During...
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The structure of novel polyurethanes containing synthetic poly[(R,S)-3-hydroxybutyrate]
PublicationThe aim of this study was to estimate the structure of new polyurethanes with the potential to be used in medicine. Atactic poly[(R,S)-3-hydroxybutyrate], obtained via a ring-opening polymerization, and polycaprolactonediol or polyoxytetramethylenediol were used to built the soft segments. 4,4'-methylene dicyclohexyl diisocyanate and 1,4-butanediol were the components to form hard segments. Polyurethanes with low-molecular weight...
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Thermoelectric properties of bismuth-antimony-telluride alloys obtained by reduction of oxide reagents
PublicationThe BieSbeTe alloys with different Bi/Sb/Te ratio were fabricated by an innovative method. For that purpose the oxide reagents were melted at high temperature, then quenched to form pellets, milled to a powder and finally reduced in hydrogen at various temperatures. Complex structures consisting of connected thin layers forming a continuous path between nano- and micrometer size grains have been obtained. The electrical conductivity,...
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Wykorzystanie wiązań niekowalencyjnych do otrzymywania jedno- i dwuskładnikowych struktur supramolekularnych
PublicationPrzedstawiona rozprawa doktorska dotyczy badań nad wykorzystaniem oddziaływań międzycząsteczkowych do projektowania i syntezy uporządkowanych struktur krystalicznych, ze szczególnym uwzględnieniem wiązań halogenowych i chalkogenowych jako stosunkowo nowych i bardzo atrakcyjnych z punktu widzenia inżynierii kryształu. Praca podzielona jest na kilka części. Pierwsza z nich stanowi wstęp teoretyczny obejmujący opis, założenia oraz...
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Cross section calculations for electron scattering from platinum chemotherapeutic compounds
PublicationCross section for electron impact ionization of carboplatin, C6H12N2O4Pt, and oxaliplatin, C8H14N2O4Pt, have been calculated within binary-encounter-Bethe model for energies from the ionization threshold up to 5000 eV. Cross section for elastic electron scattering from carboplatin and oxaliplatin molecules have also been derived using independent atom method (IAM) and additivity rule for collision energies ranging from 50 eV to...
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Elektryczne i magnetyczne statyczne podatności multipolowe jednoelektronowego atomu Diraca w stanie podstawowym
PublicationW rozprawie rozważono relatywistyczny atom jednoelektronowy w stanie podstawowym umieszczony w statycznym multipolowym polu elektrycznym i magnetycznym. Wykorzystano rachunek zaburzeń, wraz z rozwinięciem sturmowskim uogólnionej funkcji Greena-Diraca-Coulomba [R. Szmytkowski, JPhys. B 30 (1997) 825; errata 30 (1997) 2747], co umożliwiło wyznaczenie analitycznych wyrażeń dla podatności multipolowych pól dalekich i pól bliskich....
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Tlenek grafenu i redukowany tlenek grafenu
PublicationGrafen to alotropowa odmiana węgla o grubości jednego atomu. Charakteryzuje się niezwykłą wytrzymałością mechaniczną. W porównaniu z diamentem moduł Younga grafenu (określający sprężystość materiału) jest około 1000 razy większy. Każdy atom węgla w grafenie posiada cztery elektrony walencyjne– trzy z nich biorą udział w tworzeniu wiązań kowalencyjnych z sąsiednimi atomami, ostatni zaś tworzy chmurę zdelokalizowanych elektronów...
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Reactivity of triphosphinoboranes towards H3B·SMe2: access to derivatives of boraphosphacycloalkanes with diverse substituents
PublicationTriphosphinoboranes activated the B–H bond in the BH3 molecule without any catalysts at room temperature. Hydroboration reactions led to boraphosphacyloalkanes with diverse structures. The outcomes of reactions depend on the size of the phosphanyl substituent on the boron atom of the parent triphosphinoborane, where derivatives of boraphosphacyclobutane and boraphosphacyclohexane were obtained. Furthermore, the precursor of triphosphinoboranes,...
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A natural deep eutectic solvent - protonated L-proline-xylitol - based stationary phase for gas chromatography
PublicationThe paper presents a new kind of stationary phase for gas chromatography based on deep eutectic solvents (DES) in the form of a mixture of L-proline (protonated with hydrochloric acid) as a hydrogen bond acceptor (HBA) and xylitol as a hydrogen bond donor (HBD) in a molar ratio of HBA:HBD 5:1. DES immobilized on a silanized chromatographic support was tested by gas chromatography (GC) in order to determine its resolving power for...
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Electron collisions with methyl-substituted ethylenes: Cross section measurements and calculations for 2-methyl–2-butene and 2,3-dimethyl–2-butene
PublicationWe report electron-scattering cross sections determined for 2-methyl–2-butene [(H3C)HC==C(CH3)2] and 2,3-dimethyl–2-butene [(H3C)2C=C(CH3)2] molecules. Absolute grand-total cross sections (TCSs) were measured for incident electron energies in the 0.5–300 eV range, using a linear electron-transmission technique. The experimental TCS energy dependences for the both targets appear to be very similar with respect to the shape. In each...
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New Carvone-Based Deep Eutectic Solvents for Siloxanes Capture from Biogas
PublicationDuring biogas combustion, siloxanes form deposits of SiO2 on engine components, thus shortening the lifespan of the installation. Therefore, the development of new methods for the purification of biogas is receiving increasing attention. One of the most effective methods is physical absorption with the use of appropriate solvents. According to the principles of green engineering, solvents should be biodegradable, non-toxic, and...
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Exploring thiophene-2-acetate and thiophene-3-acetate binding modes towards the molecular and supramolecular structures and photoluminescence properties of Pb(ii) polymers
PublicationTo evaluate the impact of the flexible positional isomeric ligands thiophene-2-acetate (2tpacCOO) andthiophene-3-acetate (3tpacCOO) on the construction and self-assembly process of Pb(II) polymers, twonovel compounds, [Pb(2tpacCOO)2(H2O)]n(1) and [Pb(3tpacCOO)2]n(2), were preparedviaanonhydro-thermal method with respect to green chemistry rules. The obtained polymers were fully characterized byelemental analysis, TG/DTG and PXRD,...
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CaZnO-based nanoghosts for the detection of ssDNA, pCRISPR and recombinant SARS-CoV-2 spike antigen and targeted delivery of doxorubicin
PublicationOverexpression of proteins/antigens and other gene-related sequences in the bodies could lead to significant mutations and refractory diseases. Detection and identification of assorted trace concentrations of such proteins/antigens and/or gene-related sequences remain challenging, affecting different pathogens and making viruses stronger. Correspondingly, coronavirus (SARS-CoV-2) mutations/alterations and spread could lead to overexpression...
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Molecular basis of the osmolyte effect on protein stability: a lesson from the mechanical unfolding of lysozyme
PublicationOsmolytes are a class of small organic molecules that shift the protein folding equilibrium. For this reason, they are accumulated by organisms under environmental stress, and find applications in biotechnology where proteins need to be stabilized or dissolved. However, despite years of research, debate continues over the exact mechanisms underpinning the stabilizing and denaturing effect of osmolytes. Here, we simulated the mechanical...
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Audio codec employing frequency-derived tonality measure
PublicationA transform codec employing efficient algorithm for detection of spectral tonal components is presented. The tonality measure used in MPEG psychoacoustic model is replaced with the method providing adequate tonality estimates even if the tonal components are deeply frequency modulated. The reliability of hearing threshold estimated using psychoacoustic model with standardized tonality measure and the proposed one is investigated...
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DO WE NEED NAVIER NUMBER? – FURTHER REMARKS AND COMPARISON WITH ANOTHER DIMENSIONLESS NUMBERS
PublicationThis paper presents a role of the Navier number (Na-dimensionless slip-length) in universal modelling of flow reported in micro- and nano-channels like: capillary biological flows, fuel cell systems, micro-electro-mechanical systems and nano-electro-mechanical systems. Similar to another bulk-like and surface-like dimensionless numbers, the Na number should be treated as a ratio of internal viscous to external viscous momentum...
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Monomeric Triphosphinoboranes: Intramolecular Lewis Acid–Base Interactions between Boron and Phosphorus Atoms
PublicationHerein, we present the synthesis of the first fully characterized monomeric triphosphinoboranes. The simple reaction of boron tribromide with three equivalents of bulky lithium phosphide tBu2PLi yielded triphosphinoborane (tBu2P)3B. Triphosphinoboranes with diversified phosphanyl substituents were obtained via a two-step reaction, in which isolable bromodiphosphinoborane (tBu2P)2BBr is first formed and then reacts with one equivalent...
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Ryszard Katulski prof. dr hab. inż.
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Derivation of the scaling laws used in geotechnical centrifuge modelling-application of dimensional analysis and Buckingham Π theorem
PublicationGeotechnical centrifuge modelling has been a world-wide used technology in physical tests. In this paper a derivation of scaling laws by dimensional analysis for the centrifugal modelling is presented. Basic principles of centrifuge modelling are described. Scaling laws for slow events like consolidation and fast events like dynamic loads are shown. The differences in scale factors for both processes are noticed. The aim of this...
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Propensity of salicylamide and ethenzamide cocrystallization with aromatic carboxylic acids
PublicationThe cocrystallization of salicylamide (2-hydroxybenzamide, SMD) and ethenzamide (2-ethoxybenzamide, EMD) with aromatic carboxylic acids was examined both experimentally and theoretically. The supramolecular synthesis taking advantage of the droplet evaporative crystallization (DEC) technique was combined with powder diffraction and vibrational spectroscopy as the analytical tools. This led to identification of eleven new cocrystals...
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Degradation of bisphenol S – a contaminant of emerging concern - by synergistic ozone and percarbonate based AOP
PublicationDegradation of bisphenol S was studied using ozone activated by sodium percarbonate and the effectiveness of optimized process was compared with the peroxone process. The influence of several factors including sodium percarbonate concentration, ozone dose, pH, and water matrix were investigated. A synergetic coefficient of 3.84 was achieved for the combination of sodium percarbonate and ozone, confirming the effectiveness of this...
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(Di-tert-butylmethylphosphane)(η2-di-tert-butylphosphanylphosphinidene)(triphenylphosphane)platinum(0)
PublicationStruktura krystaliczna tytułowego związku, [(Ph3P)(tBu2PMe)Pt(η2-tBu2PP)], zawiera cztery cząsteczki w części niezależnej nieznacznie różniące się konformacjami. Odległości P-P w ligandzie tBu2PP są zbliżone dla wszystkich czterech cząsteczek [2.0661(13)-2.0678(13)A˚]. Odległości te, wskazują na wielokrotny charakter wiązania P-P w ligandzie tBu2PP. Atom platyny w kompleksie wykazuje koordynację płaską kwadratową. Prezentowana...
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Preparation and characterisation of visible light responsive iodine doped TiO2 electrodes
PublicationPraca przedstawia charakterystykę domieszkowanego jodem ditlenku tytanu (I-TiO2) otrzymanego na drodze hydrotermicznej syntezy, gdzie prekursor stanowiły komplesy tytanu (IV) z ligandami zawierającymi atom jodu. Struktura nowego materiału została opisana za pomocą technik XPS, XRD, UV-vis i FT-IR-ATR. Badania te potwierdziły, że otrzymany proszek I-TiO2 ma zmniejszoną przerwę energetyczną. Praca prezentuje również badania elektrochemiczne...
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Oxygen sensitivity of hydrogenesis’ and methanogenesis’
PublicationIn the chapter, results of dark fermentation of sour cabbage in presence of oxygen with concentrations 2-9% are presented. The presence of oxygen in such concentration inhibits methanogesis (and methane production more than 2 times) and increases hydrogen production 6 times. It also shortens the fermentation process above 40%.
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Interactions of positrons with atoms and molecules
PublicationThe positron is the antiparticle of the electron. It has the same mass as the electron, but opposite charge. The understanding of the interactions of positrons with normal matter, like atoms and molecules, is of interest in various scientific fields, like nuclear medicine, plasma physics and astronomy. In this talk we will give a short introduction to some theoretical methods to describe the interactions of positrons with atoms...
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Adiabatic potential energy curves of the singlet Pi ungerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi ungerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry singlet Pi ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Adiabatic potential energy curves of the singlet Pi and Delta gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi and Delta gerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries singlet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the five excited states of the symmetry triplet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Pi gerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry triplet Pi gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Adiabatic potential energy curves of the singlet Sigma gerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the ground state and three excited states of the symmetry singlet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Adiabatic potential energy curves of the singlet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry singlet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma gerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry triplet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi and Delta ungerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Pi and Delta ungerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries triplet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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ZAPEWNIENIE SYNCHORNIZACJI CZASU PRZY CZĘŚCIOWYM WSPARCIU SIECI
PublicationCelem badań zaprezentowanych w artykule było sprawdzenie czy możliwe jest zapewnienie dużej dokładności synchronizacji czasu przy częściowym wsparciu sieci w oparciu o model HRM-1 składający się z 12 szeregowo podłączonych urządzeń sieciowych wraz z wygenerowanym ruchem sieciowym. Badania wykazały, że dla obecnie stosowanych technologii mobilnych takich jak LTE TDD możliwe jest zapewnienie odpowiedniej jakości synchronizacji czasu....
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Bromidotetrakis(2-ethyl-1H-imidazole-KN3)copper(II) bromide
PublicationThe CuII ion in the title complex, [CuBr(C5H8N2)4]Br, is coordinated in a square-pyramidal geometry by four N atoms of imidazole ligands and one bromide anion in the apical position. In the crystal, the ions are linked by a 3-D network of N-H---Br and CH---Br hydrogen bonds.
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Napawanie elementów wymiennika ciepła austenitycznym drutem proszkowym
PublicationNa potrzeby przemysłu energetycznego produkuje się wymienniki ciepła przeznaczone do eksploatacji w warunkach agresywnych chemicznie, np. w środowisku siarkowodoru. Z przyczyn ekonomicznych często stosuje się w takim przypadku materiały bimetaliczne wytwarzane procesami napawania. W artykule przedstawiono wyniki badań nieniszczących, pomiarów twardości, analizy składu chemicznego, pomiarów ferrytu delta oraz badań makro- i mikroskopowych...
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Structural and dynamic properties of water within the solvation layer around various conformations of the glycine-based polypeptide
PublicationSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighbouring space around these molecules were investigated. It was found, that water forms a well-defined layer - the first solvation shell - around the peptide molecule, and thickness of this layer is independent of the peptide structure, and it equals to approximately 0.28 nm....
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First deep eutectic solvent-based (DES) stationary phase for gas chromatography and future perspectives for DES application in separation techniques
PublicationThe paper presents the first application of deep eutectic solvents (DES) as stationary phases for gas chromatography. DES obtained by mixing tetrabutylammonium chloride (TBAC) as a hydrogen bond acceptor (HBA) with heptadecanoic acid being a hydrogen bond donor (HBD) in a mole ratio of HBA:HBD equal to 1:2 was characterized by its ability to separate volatile organic compounds (VOCs). The Rohrschneider – McReynolds constants determined...
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Elżbieta Marczak dr inż. arch.
PeopleElżbieta Marczak (Architect, Phd) – Assistant Professor at the Faculty of Architecture, Gdańsk University of Technology, Department of Urban Architecture and Waterscapes (since 1997). Studies at the Faculty of Architecture GUT graduated in 1995. Degree of Doctor obtained in 2006 presenting dissertation The ship’s architecture against the background of the maritime transport development. Her research and publications focus on...
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Luminescent collisions of He+ and He++ ions with H2 molecules at energies below 2 keV
PublicationSpectroscopic studies of collisions between He+ and He++ ions with H2 gas target have been performed in the 200–600nm wavelength range. Atomic lines of hydrogen Balmer series and several helium lines were identified and their excitation functions between 50 eV and 1keV (2keV for He++) were determined.
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Di-{bis(tri-tert-butoxysilanethiolato-S)(dimethylformamide-O)cadmium(II)}-μ-trans-1,2-di-4-pyridylethene-κ2N:N'
PublicationW przypadku tytułowego związku di-{bis(tri-tert-butoksysilanotiolano-S)(dimetylformamid-O)kadm(II)}-μ-trans-1,2-di-4-pirydyloeten [Cd(C12H27O3SSi)4(C3H7NO)2(C12H10N2)], centralny atom kadmu jest skoordynowany z czterema atomami donorowymi, tworząc rdzeń typu CdNOS2. Jest to pierwszy kompleks Cd(II) o tego typu centrum i ze względu na obecność dwóch reszt tiolanowych, N- i O-donora może on służyć za model centrum katalitycznego...
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The CON−H…+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway
PublicationThe paper is focusing on the amide linkage exceptional properties and usage of chemistry (conformational rearrangement, geometrical stereoisomers, spectroscopic blue shift phenomenon, protonation and deprotonation reactions, synthetic scope, and mechanistic implications). Hydrogen-bond-stabilized acylation reactions of a diamine with thioamides or nitriles reveal how substituents influence both the outcome of stereoselectivity...
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Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen
PublicationDeep eutectic solvents (DESs) are commonly used in pharmaceutical applications as excellent solubilizers of active substances. This study investigated the tuning of ibuprofen and ketoprofen solubility utilizing DESs containing choline chloride or betaine as hydrogen bond acceptors and various polyols (ethylene glycol, diethylene glycol, triethylene glycol, glycerol, 1,2-propanediol, 1,3-butanediol) as hydrogen bond donors. Experimental...