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Search results for: transition metal complexes
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Gracjana Klein-Raina dr hab.
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Effect of chemical structure on complexation efficiency of aromatic drugs with cyclodextrins: The example of dibenzazepine derivatives
PublicationIt is widely believed that the hydrophobic effect governs the binding of guest molecules to cyclodextrins (CDs). However, it is also known that high hydrophobicity of guest molecules does not always translate to the formation of stable inclusion complexes with CDs. Indeed, a plethora of other factors can play a role in the efficiency of guest–CD interactions, rendering structure-based prediction of the complexation efficiency with...
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The XRD diffraction patterns of Ce0.9Gd0.1O2 prepared using modified Pechini/EDTA method
Open Research DataThe dataset includes XRD patterns of Ce0.9Gd0.1O2-s nanopowder (nanoparticles) prepared using modified Pechini method consisting of CA (citric acid), PEG (propylene glycol) and EDTA. Exact amount of metal nitrates were dissolved in water followed by addition of gelling agents and heated to 100C. Obtained gel was calcined at 600C for 4h. The powder...
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Isostructural zinc and cadmium silanethiolates with bridging biimidazole co-ligands – Enhanced luminescence of zinc complex
PublicationTwo dinuclear complexes of zinc and cadmium with silanethiolate and bridging biimidazole ligands are characterized by X-ray diffraction, FT-IR, UV–Vis and emission spectroscopies. The complexes 1 (Zn) and 2 (Cd) are isostructural but exhibit different electronic structures and different character of frontier HOMO orbitals as indicated by DFT calculations. Lluminescence studies prove strong emission properties of zinc complex.
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TEM micrographs of V2O5 nanostructures
Open Research DataThe DataSet contains the TEM images of V2O5 nanostructures obtained by the sol-gel method.
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An effective method for studying intermolecular interactions in binary liquids with hydrogen bonds: FTIR spectra and ab initio calculations in the N-methylformamide - methanol system
PublicationMolecular complexes in methanol (MeOH)−N-methylformamide (NMF) mixtures were studied based on their FTIR-ATR spectra, to which two methods of analysis were applied: factor analysis and a quantitative version of the difference-spectra method. The mean composition of a complex between NMF and MeOH molecules over the whole range of mixture compositions was determined. Absorbing species differentiated with regard to the interaction...
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Chemical investigations of the MoO3 doped by K films deposited FTO
Open Research DataMoO3 thin films were synthesized via thermal annealing of thin, metallic Mo films deposited onto the FTO substrate using a magnetron sputtering system. The influence of photointercalation of alkali metal cation (K+) into the MoO3 structure on the photoelectrochemical properties of the molybdenum trioxide films was investigated. The chemical characterisation...
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Photoresponsive, amide-based derivative of embonic acid for anion recognition
PublicationThe synthesis and ion-binding properties of amide-based derivative of embonic acid andp-aminoazobenzenewere described. The new compound was characterized by X-ray structural analysis and spectroscopic methods.Ligand interacts in acetonitrile with Y-shaped anions (benzoates and acetates) and dihydrogen phosphatesforming complexes of 1:1 stoichiometry. In more polar DMSO the complexes stoichiometry changes to 2:1(L:anion). Light-inducedtranstocisisomerization...
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Structural, magnetic and spectral properties of tetrahedral cobalt(II) silanethiolates: a variety of structures and manifestation of field-induced slow magnetic relaxation
PublicationBlue crystals of five heteroleptic cobalt(II) silanethiolates 1–5 have been obtained by the reaction of [Co{SSi (tBuO)3}2(NH3)]2 with aminopyridines and aminomethylpyridines at an appropriate molar ratio and their structural, spectral, thermal and magnetic properties have been established and described. All complexes 1–5 contain Co(II) ions in a tetrahedral CoN2S2 environment formed by (tBuO)3SiS− residues and pyridines and present...
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Piotr Szczuko dr hab. inż.
PeoplePiotr Szczuko received his M.Sc. degree in 2002. His thesis was dedicated to examination of correlation phenomena between perception of sound and vision for surround sound and digital image. He finished Ph.D. studies in 2007 and one year later completed a dissertation "Application of Fuzzy Rules in Computer Character Animation" that received award of Prime Minister of Poland. His interests include: processing of audio and video, computer...
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Materials Technology, W/L, DaPE, sem. 02, letni 21/22 (PG_00040170)
e-Learning Courses1. Engineering materials.2. Manufacturing technologies3. Metallurgy.4. Steelmaking.5. Molding (casting).6. Metal forming.
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A Cu/Zn heterometallic complex with solvent-binding cavity, catalytic activity for the oxidation of 1-phenylethanol and unusual magnetic properties
PublicationMononuclear and polymeric complexes of zinc(II) and copper(II) have been synthesized using two isomers of the hemi-salen ligand with a different mutual orientation of donor atoms. The heterometallic Cu/Zn metallocycle features a catalytic niche filled with the molecule of water and molecules of methanol. This unusual compound exhibits both pronounced catalytic activity in the reaction of oxidation of a secondary alcohol to ketone...
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Magnetic anisotropy and structural flexibility in the f ield-induced single ion magnets [Co{(OPPh2) (EPPh2)N}2], E = S, Se, explored by experimental and computational methods
PublicationDuring the last few years, a large number of mononuclear Co(II) complexes of various coordination geometries have been explored as potential single ion magnets (SIMs). In the work presented herein, the Co(II) S = 3/2 tetrahedral [Co{(OPPh2)(EPPh2)N}2], E = S, Se, complexes (abbreviated as CoO2E2), bearing chalcogenated mixed donor-atom imidodiphosphinato ligands, were studied by both experimental and computational techniques. Specifically,...
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Jacek Poplatek dr inż. arch.
PeopleJacek Poplatek – Assistant Professor at the Faculty of Architecture, Gdańsk University of Technology. In research work his interests focuses mainly on issues of programming and designing of healthcare architecture facilities, including general and specialist hospitals. The second field of research is 19th century historical architecture of Sopot city and protection of its architectural and cultural heritage. He is the author of...
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Preparation and Characterization of Indomethacin Supramolecular Systems with β-Cyclodextrin in Order to Estimate Photostability Improvement
PublicationCyclodextrins have found wide application in contemporary chemistry, pharmacy andmedicine. Because of their unique properties, cyclodextrins are constantly used in research on solubility or stability improvement, as well as other physicochemical properties of medicinal substances. Indomethacin (IND) is a photolabile molecule that also attracts the interest of researchers due to its therapeutic potential and the need to...
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Improvement of opipramol base solubility by complexation with β-cyclodextrin
PublicationOpipramol (OPI), a tricyclic antidepressant and anxiolytic compound, is administered orally in the form of a dihydrochloride. Salt form of the drug has a higher solubility in water and hence bioavailability and stability. A similar effect can be achieved by closing the hydrophobic part of the drug molecule in the cyclodextrin cavity. The paper presents opipramol inclusion complexes with beta-cyclodextrin (β-CD) in 1:1 molar ratio....
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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...
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The luminescence study of Ga1.98–xAlxO3:0.02Cr3+ coumpounds.
Open Research DataA 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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Optimization of the femtosecond laser impulse for excitation and the spin-orbit-mediated dissociation in the NaRb molecule
Open Research DataHigh accuracy ab initio potential energy curves (1tSigma+, 2sSigma+, 1tPi), electronic transition dipole moment function (1tSigma+ - 1tPi), and spin-orbit coupling (2sSigma+ - 1tPi) have been calculated for the NaRb molecule. The time-dependent excitation and dissociation processes in the polar alkali diatomic NaRb molecule and the quantum properties...
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Adolfo Poma
PeopleI am the group leader of the computational modelling of biomolecules divison at the institute of Fundamental Technological Research Polish Academy of Sciences in Poland. My group was hosted between 2021-2022 by International Centre for Research on Innovative Bio-based Materials (ICRI-BioM). In 2008, I got a Master degree in computational physics from the State University of Campinas, Brazil. Then I moved to Germany and under the...
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Michał Bernard Pietrzak dr hab.
PeopleMichal Pietrzak is head of the Department of Statistics and Econometrics at the Faculty of Economics and Management, Gdańsk University of Technology, and Deputy Editor-in-Chief for Statistical Reviewing of the journals: Oeconomia Copernicana and Equilibrium. Quarterly Journal of Economics and Economic Policy. Until October 2021, he worked as an associate professor at the Faculty of Economic Sciences and Management, Nicolaus...
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TEM micrographs of ammonium vanadate nanocrystals
Open Research DataThe DataSet contains the TEM images of ammonium vanadate nanobelts obtained by the hydrothermal method with different conditions. The results show that the microstructure of an ammonium vanadate single nanobelt dependent on reaction condition.
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Synthesis of compounds with C-P-P and C=P-P bond systems based on the phospha-Wittig reaction
PublicationA reactivity study of a β-diketiminate titanium(III) phosphanylphosphido complex [MeNacNacTi(Cl){η2-P(SiMe3)-PtBu2}] (1) towards ketones such as benzophenone, 9-fluorenone, acetophenone, cyclopentanone, cyclohexanone and cycloheptanone is reported. The reactions of 1 with aromatic ketones (without α-protons) directly lead to the Ti(III) complex [MeNacNacTi(μ2-Cl)(OSiMe3)] (5) as well as Ti(IV) complexes with the pinacol condensation...
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Crystal and electronic structures of Ni(II) silanethiolates containing flexible diamine ligands
PublicationFive nickel(II) complexes containing aliphatic diamines and tri-tert-butoxysilanethiolate ligand have been synthesized for the purpose of studying their structural, spectral (IR, UV–Vis, HF EPR) and thermal properties. Complexes (1)–(5) have been prepared in high yield by reactions of [Ni{SSi(OtBu)3}2(NH3)(H2O)] with 1.3-propanediamine (L1), 1,6-hexanediamine (L2), or 1,7-heptanediamine (L3). The X-ray structures were determined...
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Ferromagnetism in Pr-rich binary Pr7Ru3 intermetallic compound
PublicationWe present the synthesis and experimental characterization of the binary intermetallic compound Pr7Ru3. The polycrystalline sample was prepared by arc melting pure Pr and Ru, followed by homogenization at 500 °C and 600 °C for 48 and 89 h, respectively. Powder x-ray diffraction confirms that Pr7Ru3 crystallizes in an orthorhombic crystal structure (Pnma, space group no. 62) with the lattice parameters: a = 7.3606(7) Å, b = 23.120(1)...
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The regional energy transformation in the context of renewable energy sources potential
PublicationThe topics addressed in the article concern the problem of exploiting the potential of renewable energy sources (RES) at the regional level and the problem of the course of regional energy transition processes. Throughout the world, energy transition proceeds in a specific way for each country, due to the different potential of the selected RES and political, institutional and socio-economic conditions. Energy transition processes...
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XPS measurements of the iron elements covered by chromium
Open Research DataAnticorrosive coatings are an important issue in modern materials engineering. One of the most commonly used, for that coating materials, is chrome. Three metal elements were measured, named as Turcja, WB Tech and Nomet. Names were given according to producer of elements. XPS measurements of the Cr 2p region give an ansver concering on surface chemical...
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Humanizacja traktu porodowego
PublicationPowszechny w latach 80-tych XX wieku zmedykalizowany model porodu podlega stopniowej humanizacji. Artykuł omawia współczesne tendencje w podejściu do porodu i ich wpływ na układ funkcjonalno-przestrzenny traktu porodowego. Przedstawia najważniejsze wymagania stawiane obecnie traktom porodowym. Na podstawie przykładów rozwiązań realizacyjnych i projektowych analizuje problematykę modernizacji zespołów porodowych w Polsce.
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Process engineering in circular economy
e-Learning CoursesDefinition and principles of the circular economy (CE). The transition from a linear model to a circular model. Business models for the CE. Circular design and innovation. CE assessment carbon footprint, life cycle assessment. Case studies of the cities implementing the CE concept. CE policy and legislation (EU and Poland). Wastewater treatment plants as an element of the CE. Energy and nutrient recovery technologies in wastewater...
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Structural phase transitions in multicomponent La0.2Nd0.2Sm0.2Gd0.2RE50.2NbO4 (RE5 = Ho, Y, Tb, Eu, Pr) oxides
PublicationIn this work, the influence of compositional complexity on the structural and thermal properties of multicomponent rare-earth ortho-niobates from the La0.2Nd0.2Sm0.2Gd0.2RE50.2NbO4 (RE5 = Ho, Y, Tb, Eu, Pr) series have been investigated. Based on X-ray powder diffraction studies using synchrotron radiation, it was found that all tested materials were pure single-phase compositions and showed stability in the monoclinic I2/c crystal...
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Adaptive Method for Modeling of Temporal Dependencies between Fields of Vision in Multi-Camera Surveillance Systems
PublicationA method of modeling the time of object transition between given pairs of cameras based on the Gaussian Mixture Model (GMM) is proposed in this article. Temporal dependencies modeling is a part of object re-identification based on the multi-camera experimental framework. The previously utilized Expectation-Maximization (EM) approach, requiring setting the number of mixtures arbitrarily as an input parameter, was extended with the...
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Network Approach to Increments of RR-intervals for Visualization of Dynamics of Cardiac Regulation
PublicationThe transition network for RR -increments is pre- sented in a directed and weighted graph, with vertices represent- ing RR -increments and edges corresponding to the order in a sequence of increments. The adjacency matrix and the transition matrix of this network provide a graphical tool which could be useful in the assessment of cardiac regulation. As an example, the method is applied in detecting differences between diurnal activity...
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On the Possibility of the Amphotericin B-Sterol Complex Formation in Cholesterol- and Ergosterol-Containing Lipid Bilayers: A Molecular Dynamics Study
PublicationAmphotericin B (AmB) is a well-known membrane-active antibiotic that has been used to treat systemicfungal infections for more than 45 years. Therapeutic application of AmB is based on the fact that it is moreactive against ergosterol-containing membranes of fungal cells than against mammalian membranes withcholesterol. In this paper, we examine the hypothesis according to which the selectivity of the AmB's membraneaction originates...
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Microstructure and Mechanical Properties of Combined GTAW and SMAW Dissimilar Welded Joints between Inconel 718 and 304L Austenitic Stainless Steel
PublicationA dissimilar welded joint of Inconel 718 and 304L austenitic stainless steel was prepared using a combined procedure with the gas tungsten arc welding and shielded metal arc welding processes by employing the Ni-based fillers: ERNiCr-3 and ENiCrFe-3. The welded joints were investigated for metallographic testing and mechanical properties, and a relationship was established between the microstructure and the resultant mechanical...
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Effect of Electron Beam Power Density on the Structure of Titanium Under Non-Vacuum Electron-Beam Treatment
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Corrosion behaviour of Cr coatings deposited from Cr(III) formate - urea electrolytes
PublicationPowłoki chromowe były otrzymane z elektrolitów Cr(III) zawierających odpowiednie ligandy, zapewniające ich dobry wygląd. Zbadano wpływ hydrazyny oraz hydrohylo aminofosfatu na właściwości korozyjne Cr otrzymanego z kąpieli mocznikowo-formaldehydowych Cr(III). Właściwości warstw testowano przy pomocy metody EIS rejestrując widma impedancyjne dla próbek o różnych czasach ekspozycji w zakwaszonym roztworze siarczanowym ( pH 2,6) stosując...
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Interplay of hydrogen bonding and aryl-perfluoroaryl interactions in construction of supramolecular aggregates
PublicationThe stacking between aryl and perfluoroaryl units is an important class of the aromatic – aromatic interactions that has attracted rapidly growing interest in recent years. Continuing interest of our group in this subject it had been prepared three new complexes of pentafluorobenzoic acid with benzyl alcohol, 4-methylbenzyl alcohol and 4-tert-butylbenzyl alcohol and in the next step investigated their self-assembly modes by...
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A Panel Analysis of the Impact of Green Transformation and Globalization on the Labor Share in the National Income
PublicationThis study aims to examine the impact of green transition and globalization processes on changes in the labour share. The study covers 76 national economies diversified in development, global production share and energy transition stage from 2000 to 2018. Based on the Total Economy Database data, panel models of the relationship between green transition, globalization and the labour share in the national income were estimated....
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Copper(I) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence
PublicationReaction of copper(I) halides with chiral dithiodianthranilidesmdtaandbdtaafforded polymeric complexeswhere polynuclear CuX clusters were linked together by ditopic bridging ligands into 1D chains or 2D layerstructures. In the case of racemic ligands double stranded chain polymers were formed where the Cu4X4(X = I or Br) cores are connected by enantiomeric pairs of the ditopic ligands. In contrast, a homochiralmdtaligand created...
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Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-D-galactosidase from Arthrobacter sp. 32cB
PublicationArthbetaDG is a dimeric, cold-adapted beta-D-galactosidase that exhibits high hydrolytic and transglycosylation activity. A series of crystal structures of its wild form, as well as its ArthbetaDG_E441Q mutein complexes with ligands were obtained in order to describe the mode of its action. The ArthbetaDG_E441Q mutein is an inactive form of the enzyme designed to enable observation of enzyme interaction with its substrate. The...
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How do sterols determine the antufungal activitiy of amphotericin B? Free energy of binding between the drug and its membrane targets.
PublicationAmphotericin B (AmB) is a well-known polyene antibiotic used to treat systemic fungal infections. It is commonly accepted that the presence of sterols in the membrane is essential for the AmB biological activity, that is, for the formation of transmembrane ion channels. The selective toxicity of AmB for fungal cells is attributed to the fact that it is more potent against fungal cell membranes containing ergosterol than against...
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Właściwości katalityczne i biomedyczne związków zawierających jony rutenu(II) oraz rutenu(III)
PublicationRuthenium complexes appear in scientific publications mainly as catalysts in the olefins metathesis process. In this review, we want to indicate the research niche regarding the use of ruthenium(II) and ruthenium(III) complexes in other catalytic processes, i.e. polymerization or epoxidation of olefins and depolymerization. We would like to combine the catalytic properties of ruthenium(II,III) complex compounds with their biomedical...
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Analityczna weryfikacja dokładności komercyjnych programów komputerowych wspomagających projektowanie układów geometrycznych toru
PublicationW pracy podjęto próbę wyjaśnienia kwestii uzyskiwanej dokładności w projektowaniu układów geometrycznych toru z wykorzystaniem komercyjnych programów komputerowych typu CAD. Użytkownikowi najczęściej nie są znane zasady działania tych programów, w tym również wykorzystywane algorytmy obliczeniowe. Opisano w sposób ogólny funkcjonowanie dwóch wiodących programów. Przedstawiono własną, analityczną metodę projektowania układów torowych,...
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Marcin Kujawa dr hab. inż.
PeopleI have graduated from the Faculty of Civil Engineering, Gdańsk University of Technology (https://pg.edu.pl/en) in 1999. I received my M.Sc. degree in civil engineering structures with specialization in bridge structures. Next, in 2007, I received my doctoral degree in technical sciences under the supervision of professor Czesław Szymczak (Scopus Author ID: 6603993146) at the Faculty of Civil Engineering, Gdańsk University of Technology....
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NADBUDOWY I RENOWACJE ELEWACJI Z WYKORZYSTANIEM MATERIAŁÓW I ELEMENTÓW LEKKIEJ OBUDOWY
PublicationW artykule omówiono podział i charakterystykę lekkich przegród budowlanych. Przedstawiono możliwości zmian elewacji i wykonywania nadbudowy. Opisano kolejne kroki przygotowania inwestycji dotyczącej projektowania i realizacji nadbudowy obiektu budowlanego.
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The XRD diffraction patterns of Ce0.8La0.2O2/Ni prepared using soft template method and impregnation
Open Research DataThe dataset includes XRD patterns of Ce0.8La0.2O2-s nanopowders (nanoparticles,nanocatalyst) prepared using soft template method and further impregnated with 10wt.%Ni using aqueous nitrate solution.
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π-Indenyl substituted zirconium compounds containing terminal bondedphosphanylphosphido ligands [Ind2Zr(Cl){(Me3Si)P-PR2-jP1}]. Synthesis,X-ray analysis and NMR studies
PublicationPraca prezentuję reakcję kompleksów indenylowych cyrkonu z solami litowymi difosfanów o ogólnym wzorze R2P-P(SiMe3)Li, gdzie R = tBu, Et2N, iPr2N. W wyniku tych reakcji otrzymano 3 nowe kompleksy fosfanylofosfidowe.Otrzymane nowe kompleksy zbadano przy pomocy technik rentgenowskiej analizy strukturalnej i NMR.Dichloro-bis(indenyl)zirconium(IV) reacts with lithium derivatives of diphosphanes R2P-P(SiMe3)Li (R = tBu, Et2N, iPr2N)...
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Extended phase diagram of RNiC2 family: Linear scaling of the Peierls temperature
PublicationPhysical properties for the late-lanthanide-based RNiC2 (R = Dy, Ho, Er, and Tm) ternary compounds are reported. All the compounds show antiferromagnetic ground state with the Néel temperature ranging from 3.4 K for HoNiC2 to 8.5 K for ErNiC2. The results of the transport and galvanomagnetic properties confirm a charge density wave state at and above room temperature with transition temperatures TCDW = 284, 335, 366, and 394 K for...
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The methylome and transcriptome of fetal skin: implications for scarless healing
PublicationAim: Fetal skin is known to heal without scarring. In mice, the phenomenon is observed until the 16–17 day of gestation – the day of transition from scarless to normal healing. The study aims to identify key methylome and transcriptome changes following the transition. Materials & methods: Methylome and transcriptome profiles were analyzed in murine dorsal skin using microarray approach. Results & conclusion: The genes associated...
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Synthesis of CoFe2O4 Nanoparticles: The Effect of Ionic Strength, Concentration, and Precursor Type on Morphology and Magnetic Properties
PublicationThe present study highlights the effect of metal precursor types (SO4 2¯, Cl¯, and NO3¯), their concentration, and the influence of ionic strength of reaction environment on the morphology, surface, and magnetic properties of CoFe2O4 particles. The magnetic nanoparticles were obtained by chemical coprecipitation in alkaline medium at increasing metal concentration in the range of 0.0425 mol·dm-3 to 0.17 mol·dm-3 and calcination...