Search results for: cationic fragmentation
-
Potential energy curves of the doublet Sigma ungerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma ungerade plus (dSu+) states have been calculated for the Lithium dimer cation (Li2+). The results of the five excited states of the symmetry doublet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
-
Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
-
Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
-
Influence of the ionic strength on the amyloid fibrillogenesis of hen egg white lysozyme
PublicationThe study investigates the role of the electrostatic interactions in the fibrillation of the hen egg white lysozyme (HEWL). In order to achieve this aim the influence of the cations Na+, Mg2+ and Al3+ on the amyloid fibril formation and amorphous aggregation was tested. The amyloids are formed in the solution without added salt but the Thioflavin T fluorescence gives the false-negative result. In these conditions, the HEWL fibrils...
-
Cation homeostasis and transport related gene markers are differentially expressed in porcine buccal pouch mucosal cells during long-term cells primary culture in vitro
Publication -
H2O˙+ and OH+ reactivity versus furan: experimental low energy absolute cross sections for modeling radiation damage
PublicationRadiotherapy is one of the most widespread and efficient strategies to fight malignant tumors. Despite its broad application, the mechanisms of radiation-DNA interaction are still under investigation. Theoretical models to predict the effects of a particular delivered dose are still in their infancy due to the difficulty of simulating a real cell environment, as well as the inclusion of a large variety of secondary processes. This...
-
Influence of orientational disorder on the optical absorption properties in hybrid metal‐halide perovskite CH3NH3PbI3. A combined DFT/TD‐DFT and experimental study.
PublicationAn experimental and theoretical investigation is reported to analyze the relation between the structural and absorption properties of CH3NH3PbI3 in the tetragonal phase. More than 3000 geometry optimizations were performed in order to reveal the structural disorder and to identify structures with the lowest energies. The electronic structure calculations provide an averaged band gap of 1.674 eV, which is in excellent agreement...
-
The influence of chitosan hydrogels on the morphology of L929 cells
Open Research DataRepresentative image at 20x magnification of L929 cells following 24 h of treatment with chitosan derivatives: chitosan dissolved in carbonic acid, chitosan dissolved in carbonic acid endotoxin free, chitosan dissolved in hydroacetic acid at 1:3 diluent factor. The scale bar is 100 µm; Microscope Olympus IX83, Tokyo, Japan).
-
The effect of surfactants mixtures composition on wetting of different solid materials
PublicationThe wetting properties of surfactants mixtures were investigated. Three types of compounds were used: nonionic gemini α, α'-[2,4,7,9-tetramethyl-5-decyne-4,7-diyl]bis[ω-hydroxyl-olioxyethylene] (S-10), anionic sodium dodecyl sulphates (SDS) and cationic dodecyl trimethyl ammonium bromide (DTAB). The materials used in wetting experiments were steel and methyl polymethacrylate. These materials differ...
-
Superexcited states in the vacuum-ultraviolet photofragmentation of isoxazole molecules
PublicationThe photofragmentation of isoxazole molecules producing excited atomic and molecular fragments has been investigated over the energy range 16-50 eV, using photon-induced fluorescence spectroscopy. The following fragments have been identified by their fluorescence: the excited hydrogen atoms H(n), n = 3-7 and the diatomic CH(A2Δ, B2Σ−), CN(B2Σ+) and C2(d3Πg) fragments. The diatomic fragments are vibrationally and highly rotationally...
-
Tomasz Wąsowicz dr hab.
PeopleTomasz Wąsowicz's research was first related to high-resolution atomic spectroscopy and focused on measurements and analysis of the transition probabilities of the forbidden lines, the hyperfine and isotopic structure of spectral lines of heavy elements, Stark effect in the helium atom. Tomasz Wąsowicz currently studies physicochemical processes occurring during interactions of various forms of radiation with atoms and molecules...
-
Ocena wpływu pokarmowych kwasów nukleinowych i ich komponentów na replikacyjną i naprawczą syntezę DNA w modelach komórek ludzkiego układu pokarmowego
PublicationKwasy nukleinowe, do których należą DNA i RNA, są podstawowymi elementami każdej komórki niezbędnymi do prawidłowego funkcjonowania organizmu. Pomimo, że cząsteczki te stanowią również nieodłączne składniki produktów żywnościowych spożywanych przez człowieka, to badania na temat ich zawartości w żywności oraz wartości odżywczej są ograniczone. Wyniki uzyskane w niniejszej pracy doktorskiej pokazały istotne różnice w ilości, wielkości...
-
Design and Preparation of Magnetically-Oriented Poly(styr-co-MMA)-3MPS Capped Fe(ZnO) Hybrid Microspheres for Ion Exchange Removal of Toxic Pollutants from Wastewater
PublicationIn this work, polymeric microspheres derived from polystyrene-co-methyl methacrylate embedded with magnetic ZnO nanoparticles (poly(styrene-co-MMA)-3MPS-Fe (ZnO)) were synthesized using the suspension polymerization method. The surfaces of polymeric Fe(ZnO) microspheres were improved by functionalization with amino and sulphonate groups. The physicochemical analysis indicated a large number of positively charged (anion exchange)...
-
Unconditionally blue: Curing epoxy with polyethylene glycol (PEG) surface-functionalized Zn Fe3-O4 magnetic nanoparticles
PublicationNanoparticles govern early (chemical-controlled) and late (diffusion-controlled) stages of epoxy crosslinking, respectively. Surface functionalization of nanoparticles with macromolecules was recognized as an effective route to compensate for inadequate diffusion-controlled crosslinking. However, the effect of bulk composition amended with cations having catalytic effect towards epoxy ring opening has remained hitherto undescribed....
-
Enthalpies of formation of rare earth niobates, RE3NbO7
PublicationHigh-temperature oxide melt solution calorimetry was used to investigate energetics of a series of rare earth niobates RE3NbO7. All of investigated compounds were found to be stable in enthalpy in respect to their oxides. The enthalpy of formation from oxides becomes more exothermic as the size of the RE cation increases, a trend seen previously in other RE compounds including pyrochlores, perovskites, and phosphates. For smaller...
-
Public spaces connecting cities. Green and Blue Infrastructures potential.
PublicationA city fragmentation causes a lot of negative effects in urban environment such as: disconnecting the environmental, functional and compositional relations, a loss of urban compactness, chaotic development, visual chaos, a domination of technical landscape, reduction of security. This is why one of main challenges for urban planners is to connect the fragmented structures by creating friendly, attractive and safe public space....
-
Micellar aggregation of Triton X-100 surfactant in imidazolium ionic liquids
PublicationIn this work we investigated aggregation behavior of a nonionic surfactant Triton X-100 in eighteen imidazolium ionic liquids (ILs) with two to eight carbon atoms in cations alkyl chain, namely 1-ethyl-3-methylimidazolium, [EMIM], 1-butyl-3-methylimidazolium, [PrMIM], 3-methyl-1-propylimidazolium, [BMIM], 1-hexyl-3-methylimidazolium, [PMIM], 3-methyl-1-pentyl-imidazolium, [HMIM], and 1-octyl-3-methylimidazolium, [OMIM], and with...
-
Carbonic anhydrase inhibitors. Synthesis, and molecular structure of novel series N-substituted N'-(2-arylmethylthio-4-chloro-5- methylbenzenesulfonyl)guanidines and their inhibition of human cytosolic isozymes I and II and the transmembrane tumor-associated isozymes IX and XII
PublicationA series of novel N-substituted N'-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)guanidines 9 e41 have been synthesized and investigated as inhibitors of four isoforms of zinc enzyme carbonic anhydrase (CA.EC 4.2.1.1), that is the cytosolic CA I and II, and cancer-associated isozymes CA IX and XII. Against the human CA I investigated compounds showed KI in the range of 87e6506 nM, toward hCA II ranging from 7.8 to 4500 nM,...
-
Understanding the formation of metastable furan dication in collisions with ions
PublicationThis work relies on complementary theoretical and experimental studies of the processes induced by ion-furan collisions. Results of the Molecular Dynamics simulations and exploration of the energy profiles combined with coincidence mass spectrometry provide complete picture of the fragmentation of furan dication.
-
Micelle formation of Tween 20 nonionic surfactant in imidazolium ionic liquids
PublicationAggregation behavior of polyoxyethylene (POE)-type nonionic surfactant Tween 20 in imidazolium ionic liquids with varying chain length and different anions, such as tetrafluoroborate, hexafluorophosphate, bis(trifluoromethanesulfonyl)imide, and trifluoromethanesulfonate, was investigated by means of surface tension, conductivity and dynamic light scattering measurements. The role of the chain length, anion size as well as interactions...
-
Electron interactions with Bis(pentamethylcyclopentadienyl) titanium(IV) dichloride and difluoride
PublicationWe present a combined experimental and theoretical study of the interaction of electrons with Bis(pentamethylcyclopentadienyl)titanium(IV) dichloride (Cp∗2TiCl2) and difluoride (Cp∗2TiF2). We report the experimental measurements of partial cross sections for the dissociative electron attachment (DEA) and the electron ionization (EI) mass spectra of isolated molecules. Estimates of the absolute cross sections are done on the basis...
-
Dissociative electron attachment to the radiosensitizing chemotherapeutic agent hydroxyurea
PublicationDissociative electron attachment to hydroxyurea was studied in the gas phase for electron energies ranging from zero to 9 eV in order to probe its radiosensitizing capabilities. The experiments were carried out using a hemispherical electron monochromator coupled with a quadrupole mass spectrometer. Diversified fragmentation of hydroxyurea was observed upon low energy electron attachment and here we highlight the major dissociation...
-
Paweł Robert Surowiec mgr lic.
PeoplePhD student at The John Paul II Catholic University of Lublin (Poland), with an STL degree (specialisation: Ecumenism) awarded in 2022. Ecumenical Delegate of the Roman Catholic Diocese of Sandomierz. His research interests include the works and theology of Saint John Henry Newman (1801–1890). He is a member of the Polish Theological Society, the Society for the Study of Theology (UK), the European Society for Catholic Theology,...
-
Novel 2-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)-1-(1,3,5-triazin-2-ylamino)guanidine derivatives: Inhibition of human carbonic anhydrase cytosolic isozymes I and II and the transmembrane tumor-associated isozymes IX and XII, anticancer activity, and molecular modeling studies
PublicationA series of novel 2-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)-1-(6-substituted-4-chloro-1,3,5-triazin-2-ylamino)guanidine derivatives 9–20 have been synthesized by substitution of chlorine atom at the 1,3,5-triazine ring in compounds 5–8 with 3- or 4-aminobenzenesulfonamide and 4-(aminomethyl)benzenesulfonamide hydrochloride. All the synthesized compounds were evaluated for their inhibitory activity toward hCA I, II,...
-
Dissociative photo-double-ionization of isoxazole
PublicationIn the present communication, we present results on the photo-double-ionization and fragmentation of the isoxazole molecules. The experiments were carried out at the CiPo beamline at the Elettra-Sincrotrone radiation facility exploiting the VUV excitation and the ion time-of-flight spectrometry combined with the PEPICO technique. The dissociative processes where only one electron is emitted are quite well known [1]. However, double...
-
Theoretical calculation of the physico-chemical properties of 1-butyl-4-methylpyridinium based ionic liquids
PublicationACCEPTED MAIonic liquids (ILs) have attracted much attention for their unique physicochemical properties, which can be designed as needed by altering the ion combinations. Besides experimental work, numerous computational studies have been concerned with prediction of physical properties of ILs. The results of molecular dynamics simulations of ILs depend strongly on the proper force field parameterization. Classical force fields...
-
Synthesis, structural and spectroscopic properties of asymmetric schiff bases derived from 2,3-diaminopyridine
PublicationTwo Schiff base derivatives, 4-(2-amino-3-pyridyliminomethyl)phenol (I) and 3-(2-amino-3- pyridyliminomethyl)nitrobenzene (II ), were synthesised and characterised by spectroscopy. The structure of I was determined by single crystal X-ray diffraction studies. The asymmetric Schiff base derived from 2,3-diaminopyridine selectively recognise transition and heavy metal cations, and some anion. Ligands I and II form stable complexes...
-
Photofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region via superexcited states studied by fluorescence spectroscopy
PublicationPhotofragmentation of tetrahydrofuran molecules in the vacuum-ultraviolet region, producing excited atomic and molecular fragments, has been studied over the energy range 14-68 eV using photon-induced fluorescence spectroscopy. Excited hydrogen atoms H(n), n = 3-11, have been detected by observation of the Hα to Hı lines of the Balmer series. The diatomic CH(A2Δ), CH(B2Σ-) and C2(d3Πg) fragments, which are excited to low vibrational...
-
First evaluation of wastewater discharge influence on marine water contamination in the vicinity of Arctowski Station (Maritime Antarctica)
PublicationIn Antarctica,waste is generatedmainly during scientific research programmes and related logistics. In this study, the impact ofwastewater on the western shore of Admiralty Baywas investigated during austral summer in 2017 and 2019. A range of physicochemical parameters and the presence of selected trace metals, formaldehyde and different groups of surfactants were determined in wastewater coming from Arctowski Station and in nearby coastal...
-
Transparent nanocomposite coatings based on epoxy and layered double hydroxide: Nonisothermal cure kinetics and viscoelastic behavior assessments
PublicationLayered double hydroxide (LDH) has a particular place in clay family because of its flame retardant action. The nanoplatelet-like structure of LDH makes possible development of polymer composites with cationic or anionic nature structures in which macromolecules are positioned in between nanoplatelet galleries. In this work, neat epoxy and its transparent nanocomposite coatings with sodium dodecylbenzene sulfonate (SDBS)-modified...
-
Cytotoxicity of chitosan hydrogels aginst L929 cells
Open Research DataThis study presents absorbance values of formazan product (converted from MTT) which corresponds to the cytotoxicity of chitosan compounds (dissolved in carbonic acid, dissolved in carbonic acid endotoxin free, and dissolved in hydroxyacetic acid) aginst adult mouse fibroblast L929 cells. The experiments were carried out according to the ISO 10993-5:2009(E)...
-
The luminescence study of Ga2–x(Al0.68In0.32)xO3:Cr3+ coumpounds.
Open Research DataNear-infrared (NIR) phosphor-converted light-emitting diodes (pc-LEDs) are a highly efficient perspective NIR light source, with application hindered by a narrow emission band. In this work, we broaden the emission of a new series of NIR phosphors by controlling crystal structure disorder through cation cosubstitution. By substituting Ga3+ with (Al0.68In0.32)3+,...
-
Products of Photo- and Thermochemical Rearrangement of 19-Membered di-tert-Butyl-Azoxybenzocrown
PublicationThe preparation and characterization of products of the photochemical and thermochemical rearrangements of 19-membered azoxybenzocrowns with two, bulky, tert-butyl substituents in benzene rings in the para positions to oligooxyethylene fragments (meta positions to azoxy group, i.e., t-Bu-19-Azo-O have been presented. In photochemical rearrangement, two colored typical products were expected, i.e., 19-membered o-hydroxy-m,m′-di-tert-butyl-azobenzocrown...
-
The influence of the type of composition of PVA-chitosan blends on stability at elevated temperature
Open Research DataThe dataset shows the results of a visual evaluation of chitosan and polyvinyl alcohol composites. The composites were prepared by combining chitosan water solutions, dissolved in selected acids, and polyvinyl alcohol solution, freeze drying, and heating at 150°C dry composites. The results confirm that the chitosan / PVA composites, in which the first...
-
Moving object tracking algorithm evaluation in autonomous surveillance system
PublicationResults of evaluation of video object tracking algorithm being a part of an autonomous surveillance system are presented. The algorithm was investigated employing a set of benchmarks recorded locally. The precision of object detection, evaluated with such metrics as fragmentation, object area recall and object precision, is in focus. The experiments aimed at examining the detection quality using various object detection algorithm...
-
Podejście środowiskowe w dydaktyce projektowania Sustainable approach in teaching of design
PublicationThe aim of the paper is to assess the inclusion of academic teaching design to the process of sustainable development and proposals for an integrated approach in training architects. The article presents an original interpretation of environmental design in the field of architecture and urban planning. The significance of the environmental perspective is presented in the context of growing spatial and social fragmentation. The...
-
Lower Rim Substituted p-tert-Butyl Calix[4]arenes(V). Synthesis of New 5,11,17,22-tetrakis-p-tert-Butyl-25-27-bis(dialkoxyphosphorylmethoxy)calix[4] arenes and Cation Complexation Studies in Ion Selective Membrane Electrodes.
PublicationZaprezentowano syntezę i właściwości trzech nowych związków (2-4), bis podstawionych na dolnym obrzeżu grupami z resztą fosforylową. Związki te były badane jako jonofory w membranowych elektrodach jonoselektywnych (ISE) wykazując selektywność na kationy Rb+,K+ oraz duży i płaski kation guanidyniowyG+). Badano korelację pomiędzy stereo-strukturą związków a ich selektywnością w ISE. Stałe trwałości kompleksów z kationami metali...
-
Influence of Property Division on the Technical Condition of a Building
PublicationIn this article, the correlation between a technical condition of a building and property division is analyzed and assessed. In the course of the usage of a building, the process of its degradation and the increase in the demands of property occupants can be observed. There is a direct connection between the difficult technical condition of a building and the fragmentation of the ownership structure. Although not considered in...
-
Mass spectrometry based identification of geometric isomers during metabolic stability study of a new cytotoxic sulfonamide derivatives supported by quantitative structure-retention relationships
PublicationA set of 15 new sulphonamide derivatives, presenting antitumor activity have been subjected to a metabolic stability study. The results showed that besides products of biotransformation, some additional peaks occurred in chromatograms. Tandem mass spectrometry revealed the same mass and fragmentation pathway, suggesting that geometric isomerization occurred. Thus, to support this hypothesis, quantitative structure-retention relationships...
-
Environmental degradation of Ti alloys in artificial saliva and a role of fluorides
PublicationThe titanium and its alloys are potentially prone to hydrogen embrittlement, including those proposed for dental implants. The research has been aimed to assess a susceptibility to environment-enhanced degradation of the Ti-13Zr-13Nb alloy in artificial saliva with or without hydrofluoric acid, subject or not to cathodic polarisation. The results have shown that even if artificial saliva is safe environment, both cathodic polarization...
-
Environmental degradation of titanium alloy in artificial saliva
PublicationThe titanium and its alloys are potentially prone to hydrogen embrittlement, including those proposed for dental implants. The research has been aimed to assess a susceptibility to environment-enhanced degradation of the Ti-13Zr-13Nb alloy in artificial saliva with or without hydrofluoric acid, subject or not to cathodic polarisation. The results have shown that even if artificial saliva is safe environment, both cathodic polarization...
-
Materials for energy storage and conversion devices 2022/2023
e-Learning CoursesElectrodes: Metals as electrodes in aqueous and non-aqueous systems, metal nanoparticles. Collectors current. 3D, 2D, 1 D carbons, carbon nanomaterials. Organic semiconductors "Synthetic metals" - p-type, n-type. Inorganic semiconductors: oxides, selenides, sulfides, others. Intercalated electrodes. Mixed conductors (MIEC). Photo-active semiconductor materials. Electrolytes. Water electrolytes in commercial products. Electroactive...
-
Nano-structured Pt embedded in acidic salts of heteropolymolybdate matrices: MS EXAFS study
PublicationA structural study of Pt nano-catalysts is presented in the paper. The innovation in the case of the considered catalytic materials resides in the use a meso-microporous inorganic matrix of heteropolyacid salt of composition X2.5H0.5YMo12O40 where X = Rb, Cs and Y = P, Si as a catalyst support. Metallic nanoparticles were created by platinum ions reduction in a hot H2/Argon stream and were mainly located into matrix pores. As the...
-
New uranium(vi) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study
PublicationThe crystal structures of S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) diacetate (1_ac), S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) dichloride (1_Cl), 1_U complex, S,S′-naphthalene-1,4-diylbis(methylisothiouronium) dichloride (2_Cl), and 2_U complex were determined for the first time. The supramolecular structures of the compounds obtained are mainly based on hydrogen bonding and ionic interactions...
-
Import Intensity of Production, Tasks and Wages: Microlevel Evidence for Poland.
PublicationObjective: This article relates to recent literature on labour market consequences of production fragmentation within Global Value Chains, analysed in the presence of workers’ heterogeneity and differences in the task content of jobs. The main aim is to assess if there is a relationship between wages of Polish workers and the degree of Polish production dependence on imported inputs. Research Design & Methods: Using microdata from...
-
The need for linear revitalization. Gdynia case
PublicationThe aim of the article is to discuss the need of defining and implementation of the linear revitalization - the new approach related to the revitalization processes. The results of the preliminary investigations indicate that this kind of revitalization seems to be an important tool supporting city management and planning, especially in cases of cities fragmentation - causing lack of physical, social, economic and ecological cohesion....
-
Analityka surfaktantów w próbkach środowiskowych
PublicationSurfaktanty stanowią grupę związków charakteryzujących się specyficznymi właściwościami fizykochemicznymi (m.in. amfifilowa budowa, zdolność rozpuszczania się w cieczach o różnej polarności, zdolność do tworzenia micelli) i z tego względu są one wykorzystywane w wielu sferach działalności człowieka. Związki powierzchniowo-czynne ulegają różnorodnym przemianom fizykochemicznym, co umożliwia ich migrację między różnymi elementami...
-
Position in global value chains and wages in Central and Eastern European countries
PublicationThis paper examines the relationship between the relative position of industries in Global Value Chains (GVC) and wages in 10 Central and Eastern European countries. We combine GVC measures of global import intensity of production, upstreamness and the length of the value chain with micro-data on workers. We find that the wages of Central and Eastern European countries workers are higher when their industry is at the beginning...
-
Drinking water safety evaluation in the selected sub-Saharan African countries: A case study of Madagascar, Uganda and Rwanda
PublicationIn the sub-Saharan region of Africa, access to safe drinking water remains limited in many countries. This study provides an overview of the quality of surface water and groundwater in rural and peri-urban areas of Madagascar, Uganda, and Rwanda. Selected physico-chemical parameters, inorganic species (including inorganic ions), and organic pollution indicators, such as total organic carbon, non-ionic surfactants, cationic surfactants, anionic...
-
Investigation of sweet substances of different molecular structure by potentiometric taste sensor with all solid state electrodes
PublicationA five channel potentiometric taste sensor consisting of an array of All Solid State Electrodes (ASSESs) with different lipid-polymer membranes has been developed. The electrodes are constructed of glassy carbon discs with electrochemically deposited poly(3,4-ethylenedioxythiophene) (PEDOT) acting as ion to electron transducer. The outer layer of the electrode is lipid-polymer membrane. Lipid substances immobilized in PVC membranes...