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Wyniki wyszukiwania dla: CONFORMATIONAL TRANSITION
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Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals
PublikacjaGlobal reactivity descriptors of isopropyl acetate (IPA) and thermo-kinetic aspects of its oxidation via OH radicals have been studied. Transition state theory (TST) was utilized to estimate the bimolecular rate constants. Ten oxidation pathways have been investigated, and all of them are exothermic. The potential energy diagram has been sketched using different pre- and post-reactive complexes for all reaction pathways. Rate coefficient...
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Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects
PublikacjaThe radiative emission lifetime and associated S1 excited state properties of a BODIPY dye are investigated with TDDFT and EOM-CCSD calculations. The effects of a solvent are described with the polarizable continuum model using the linear response (LR) approach as well as state-specific methods. The Franck–Condon (FC), Herzberg–Teller (HT) and Duschinsky vibronic effects are evaluated for the absorption and emission spectra, and...
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Karol Grębowski dr inż.
OsobyKarol Grębowski (dr inż.) pracuje jako adiunkt w Katedrze Technicznych Podstaw Projektowania Architektonicznego na Wydziale Architektury Politechniki Gdańskiej. Jego badania naukowe dotyczą zjawisk szybkozmiennych zachodzących podczas drgań konstrukcji budowlanych, obiektów mostowych (trzęsienia ziemi) oraz badania w zakresie metodologii projektowania budynków stanowiących system ochrony pasywnej (SOP) odpornych na uderzenia pojazdów...
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The ab initio and experimental study of the spectroscopic and magnetic properties of Ho(III)-EDTA
Dane BadawczeIn this dataset, the ab initio calculations of the electronic structure and the magnetic properties are discussed in the context of the experimental data for the Ho–EDTA complex. In the calculations different models of the cluster have been applied to examine the influence of various parts of the environment of the Ho(III)-EDTA complex on its properties....
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Optical measurements of lithium titanate sol-gel derived thin films
Dane BadawczeNanocrystalline thin films with 800 nm thickness were prepared by sol–gel method. To examine the influence of the annealing time on as-prepared films crystallization, the coatings were heated at 550 °C for 10, 20 and 80 h. On the basis of transmission characteristic optical properties were calculated. It was found that transmission through the thin...
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ZMIANY STRUKTURY DEMOGRAFICZNEJ LUDNOŚCI – WYZWANIA DLA RYNKU PRACY
PublikacjaPolska, podobnie jak i inne kraje europejskie doświadcza w przyspieszonym tempie zmian demograficznych, które w krajach o rozwiniętych gospodarkach rynkowych rozpoczęły się w latach 60. XX wieku. Procesy nieodwracalne, związane ze starzeniem się społeczeństwa na początku zaobserwowano w Skandynawii, następnie proces ten objął kraje Europy Zachodniej, Europy Południowej, w latach 90. XX wieku – również Europę Środkową i Wschodnią....
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Exploring the role of social networks among entrepreneurial Polish immigrants
PublikacjaThe paper reports on the explanatory case study among seven Polish enterprising migrants from Aberdeen Scotland. The aim of the paper is to examine role of social support structure and social networks for enterprising Poles. It also attempts to extend of Waldinger et al (2000) ethnic business development model in the context of entrepreneurial strategies taken from by immigrants from their country of origin, claiming that transition...
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Epitaph of Henry Giese in St. Mary's Church in Gdańsk
Dane BadawczeThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk, that is dedicated to Henry Giese, a member of merchant family that came from Germany and settled down in Gdańsk in XVI century. Data set contains one general photo of the epitaph, transcription of its text in Latin, its translation in Polish, and the biography...
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Epitaph of Oehm family in St. Mary's Church in Gdańsk
Dane BadawczeThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk, that is dedicated to Öhm family, rather unknown to Gdańsk. The epitaph was erected by two latest representatives of family – John and Andrew. Data set contains one general photo of the epitaph, transcription of its text in Latin, its translation in Polish,...
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WPŁYW KOMUNIKACJI MARKETINGOWEJ NA KSZTAŁTOWANIE ARCHITEKTURY OBIEKTÓW SŁUŻBY ZDROWIA - THE EFFECT OF MARKETING COMMUNICATION ON SHAPING THE ARCHITECTURE OF HEALTHCARE FACILITIES
PublikacjaXX wiek wraz z rozwojem kultury masowej przyniósł gwałtowny wzrost znaczenia komunikacji marketingowej, która początkowo pełniła rolę głównie informacyjną, związaną z działaniami reklamowymi. Współcześnie można zauważyć zwiększone zainteresowanie specjalistów z dziedziny marketingu oddziaływaniem na człowieka poprzez przestrzeń, w której on przebywa. Podejmowanie działań marketingowych w ramach usług świadczonych przez jednostki...
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Endometriosis - Female, 49 - Tissue image [6110730021447511]
Dane BadawczeThis is the histopathological image of CERVIX UTERI tissue 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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Endometriosis - Female, 49 - Tissue image [6110730021447641]
Dane BadawczeThis is the histopathological image of CERVIX UTERI tissue 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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Endometriosis - Female, 49 - Tissue image [6110730021444411]
Dane BadawczeThis is the histopathological image of CERVIX UTERI tissue 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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A comparison of structural and luminescence properties of lead(II) coordination polymers with isomeric thiophenecarboxylate ligands
PublikacjaTwo new lead(II) coordination polymers with isomeric thiophenecarboxylates, namely [Pb(2tpCOO)2]n (1) and [Pb(3tpCOO)2(H2O)]n (2) (2tpCOO− = thiophene-2-carboxylate, 3tpCOO− = thiophene-3-carboxylate), were synthesized and characterized. Single crystal X-ray crystallography revealed a distorted pentagonal pyramidal geometry {PbO6} around Pb in 1 and a distorted dodecahedral geometry {PbO8} in 2. The distortion derived from the...
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Structural and dynamic insights on the EmrE protein with TPP+ and related substrates through molecular dynamics simulations
PublikacjaEmrE is a bacterial transporter protein that forms an anti-parallel homodimer with four transmembrane helices in each monomer. EmrE transports positively charged aromatic compounds, such as TPP+ and its derivatives. We performed molecular dynamics (MD) simulations of EmrE in complex with TPP+, MeTPP+, and MBTPP+ embedded in a membrane. The detailed molecular properties and interactions were analysed for all EmrE-ligand complexes....
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Effect of osmolytes of different type on DNA behavior in aqueous solution. Experimental and theoretical studies
PublikacjaOsmolytes, the small organic molecules accumulated in cells under environmental stress, can modulate the stability of biopolymers such as proteins and DNA. In spite of many years of research, there is no established molecular mechanism of the influence of osmolytes on DNA structure. Here, we used two model osmolytes that denature (urea) or stabilize (trimethylglycine, TMG) proteins to study their effect on DNA in aqueous solutions...
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Knowledge economics and the demand for higher education
PublikacjaThis article suggests that the decreased demand for higher education in Poland is partially caused due to the changes in consumer preferences. The appearance of a cheap and highly accessible form of knowledge offered by the massive open online courses is presumed here to have an effect on the demand for formal higher education. This article proposes an additional perspective to the research on knowledge consumption, especially...
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Singular Surface Curves in the Resultant Thermodynamics of Shells
PublikacjaWithin six-parameter shells theory we discuss the governing equations of shells with material or non-material singular curves. By singular curve we mean a surface curve where are discontinuities in some surface fields. As an example we consider shells with junctions and shells undergoing stress-induced phase transitions.
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Sanctions and their role in preventing the appropriation of the creditor’s property rights in bankruptcy proceedings–the case of Poland
PublikacjaThe aim of this paper is to fill the cognitive gap regarding the role of sanc-tions in the protection of a creditor’s property rights in the event of an entrepreneur insolvency. The impact of sanctions on transaction costs, including their identifica-tion and types, as well as the impact on the protection of creditor rights, has been poorly recognized in the subject literature to date. This article investigates...
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Analytical method of modelling the geometric system of communication route
PublikacjaThe paper presents a new analytical approach to modelling the curvature of a communication route by making use of differential equations. The method makes it possible to identify both linear and nonlinear curvature. It enables us to join curves of the same or opposite signs of curvature. Solutions of problems for linear change of curvature and selected variants of nonlinear curvature in polynomial and trigonometric form were analyzed....
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Inhibition of impurities formation in the synthesis of N-alkyltheobromines stimulated by microwave irradiation. Cationic and anionic response of membrane electrodes
PublikacjaN-Alkyltheobromine (1-9) derivatives were obtained by reacting theobromine with appropriate alkyl halide under microwave irradiation at 100-150 W and by conventional synthesis. Formation of by-products of oxygen atom alkylation and 1-N-alkyltheobromine ring opening were considered. The presented compounds 1-5 have been studied as ion carriers in ion-selective membrane electrodes. Selectivity of these membranes was studied towards...
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Investigation of magnetic order in a new intermetallic compound Nd2PtGe3
PublikacjaIn the present study we report a successful synthesis of the new intermetallic compound Nd2PtGe3 by an arc-melting method. The powder X-ray diffraction analysis indicates that this compound crystallizes in an disordered variant of the AlB2-type structure (space group P6/mmm, no. 191) with lattice parameters a = 4.2455 Å and c = 4. 1933 Å. The compound exhibits a cluster-glass transition below Tf = 2.9 K, characterized through ac...
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Alms-panel of Anton Moeller in St. Mary's Church in Gdańsk
Dane BadawczeThe data set concerns epigraphy. It refers to the Alms-panel placed in St. Mary’s Church in Gdańsk, that is the work of Gdańsk painter Antoni Moller, made in 1607, or rather – to be more specific – to lower part of this work, which are the verses from Holy Bible. Data set contains one general photo of the inscription, transcription of its text in Latin...
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Magnetoelectric, spectroscopic, optical and elastic properties of Co-doped BaTiO3 ceramics
Publikacjahe BaTiO3 perovskite is widely used in the electronic technology due to its dielectric, piezoelectric and ferroelectric properties and is a well-known base for obtaining a promising multifunctional material. In this paper we report the extensive studies on the Co-doped BaTiO3 ceramics for the wide range cobalt content. Full structural characterization of studied samples in a 20–450 K range was provided. The results of research...
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Superconductivity in the Nb-Ru-Ge σ phase
PublikacjaWe show that the previously unreported ternary σ-phase material Nb20.4Ru5.7Ge3.9 (Nb0.68Ru0.19Ge0.13) is a superconductor with a critical temperature of 2.2 K. Temperature-dependent magnetic susceptibility, resistance, and specific-heat measurements were used to characterize the superconducting transition. The Sommerfeld constant γ for Nb20.4Ru5.7Ge3.9 is 91 mJ mol f.u. −1K−2 (∼3 mJ mol atom−1 K−2) and the specific-heat anomaly at...
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Semicrystalline Polyesters Based on a Novel Renewable Building Block
PublikacjaIsohexides, like e.g. isosorbide, are well-known carbohydrate-based rigid diols which are capable of dramatically increasing the glass transition temperature of polyesters. However, their relatively low reactivity has thus far hampered large-scale industrial applications in the polymer field. Recently, with the aim to increase reactivity while at the same time retain rigidity, we have developed a new isoidide dicarboxylic acid...
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Effect of composition on the thermal properties and structure of M-Al-Si-O-N glasses, M = Na, Mg, Ca
PublikacjaThe primary objective of this study is to explore the relationship between the composition, structure, and thermal characteristics of M-Al-Si-O-N glasses, with M representing sodium (Na), magnesium (Mg), or calcium (Ca). The glasses were prepared by melting in a quartz crucible at 1650 °C and AlN precursor (powder) was utilized as a nitrogen source. The measured thermal properties studied were glass transition temperature (Tg),...
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Human System Interaction in Review: Advancing the Artificial Intelligence Transformation
PublikacjaThe industrial advancement of human society has been fundamentally driven by diverse ‘systems’ that facilitate ‘human interaction’ within physical, digital, virtual, social and artificial environments, and upon the hyper-connected layers of system-system interactions across these environments. The research and practice of Human System Interaction (HSI) has undergone exponential development due to the enhanced capabilities, increased...
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Cellulosic bionanocomposites based on acrylonitrile butadiene rubber and Cuscuta reflexa: adjusting structure-properties balance for higher performance
PublikacjaDesign and manufacture of cellulosic nanocomposites with acceptable performance is in the period of a transition from fantasy to reality. Typically, cellulosic nanofillers reveal poor compatibility with polymer matrices. Thus, adjusting the balance between structure and properties of cellulosic bionanocomposites by careful selection of parent ingredients is the first priority. Herein, we incorporated Cuscuta reflexa derived cellulose...
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Structural Control of Photoinduced Dynamics in 4H-Imidazole- Ruthenium Dyes
PublikacjaThe photoinduced dynamics of a series ofterpyridine 4H-imidazole-ruthenium complexes, which constitutea new family of panchromatic dyes, is investigated. Thedynamics involves two excited states localized within the 4Himidazolesphere. Upon MLCT excitation, an excited state ispopulated, which is localized on the central part of the 4Himidazoleligand caused by its nonplanar conformation. Thepopulation of the second excited state is...
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<i>N,N,N</i>-Trimethyl-N-(methyl 5-deoxy-2,3-<i>O</i>-isopropylidene-β-D-ribofuranosid-5- yl)ammonium 4-methylbenzenesulfonate sesquihydrate.
PublikacjaThe structure of the title compound, [C12H24NO4][C7H7O3S]·1.5H2O, contains alternating layers parallel to (001) of hydrophobic and polar character, stabilized by C-H...O hydrogen bonding. The furan ring adopts an envelope conformation with the C(OMe) atom as the flap, and the dioxolane ring is twisted about one of the O-C(methine) bonds. A comparison to related compounds is presented. The tosylate-O atoms were disordered over two...
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Infedeltà nel trasferimento delle collocazioni nella traduzione dei romanzi di Michel Houellebecq dal francese all’italiano
PublikacjaBuilding on my PhD project, this paper explores fidelity challenges in the transfer of verb-nominal collocations (VNC) in the Italian translations of seven of Michel Houellebecq’s novels. I examine various kinds of infidelity, such as omissions, errors, incongruence in constituent transmission, incoherence in recurrent VNC transmission, and infidelity at the level of phraseological coverage. The accurate transfer...
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Epitaph of Anna Loitz in St. Mary's Church in Gdansk
Dane BadawczeThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk which is dedicated to Anna Loitz, daughter of the well-known merchant Michał Loitz, wife of the juror and councilor Jan Konnert the Younger. The data set contains one general photo of the epitaph, transcription of its text in Latin, its Polish translation,...
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Plaque of Dorothy and John Brandes in St. Mary's Church in Gdańsk
Dane BadawczeThe data set concerns epigraphy. It refers to the plaque placed in St. Mary’s Church in Gdańsk, that is dedicated to John Brandes, highly influential citizen of Gdańsk, whose official career was crowned with the function of mayor, and his wife Dorothy née Zimmermann. The plaque was placed in the church in 1586. Data set contains two photos of the plaque,...
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Epitaph of Martin Ramus in St. Mary's Church in Gdańsk
Dane BadawczeThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk which is dedicated to Martin Ramus, teacher of the parochial school at the St. Mary church in Gdansk who died on 24th of June 1631 in Gdańsk. The data set contains one general photo of the epitaph, transcription of its text in Latin, its Polish translation,...
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Epitaph of Guldenstern family in St. Mary's Church in Gdańsk
Dane BadawczeThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk, that is dedicated to family Guldenstern, very noble family that came to Poland with the king of Sweden and Poland – Sigismund III Vasa, and to representatives of Swedish emigration. Data set contains one general photo of the epitaph, transcription of its...
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Epitaph of Clemens and Gabriel Coelmer in St. Mary's Church in Gdańsk
Dane BadawczeThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk which is dedicated to Clemens and Gabiel Coelmer, sons of a Gdańsk merchant; Clemens devoted himself to a clerical career in Gdańsk and became a councilor. The data set contains one general photo of the epitaph, transcription of its text in Latin, its Polish...
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Sepulchral plate of Dorothy and Matthias Zimmermann in St. Mary's Church in Gdańsk
Dane BadawczeThe data set concerns epigraphy. It refers to the sepulchral plate placed in St. Mary’s Church in Gdańsk which is dedicated to Dorothy and Matthias Zimmermann, a wealthy merchant and Gdańsk mayor, trusted courtier of King Alexander Jagiellon. The data set contains one general photo of the sepulchral plate, transcription of its text in Latin, its Polish...
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Vibrational Properties of LaNb0.8M0.2O4-δ (M=As, Sb, V, and Ta)
PublikacjaLaNb0.8M0.2O4-δ (where M=As, Sb, V, and Ta) oxides with pentavalent elements of different ionic sizes were synthesized by a solid-state reaction method. The vibrational properties of these oxides have been investigated. These studies revealed that the substituent element influences both Debye temperature value as well as the Raman active vibrational modes. Additionally, the low-temperature vibrational properties of LaNb0.8Sb0.2O4-δ...
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The homometallic warwickite V 2 OBO 3
PublikacjaThe synthesis, structure and elementary magnetic characterization of the homometallic warwickite V2OBO3 are reported. The material adopts the orthorhombic warwickite structure type at room temperature, space group Pnma (No. 62) with lattice parameters a = 9.2317(1) Å, b = 3.1172(1) Å, and c = 9.5313(1) Å. Temperature-dependent magnetic susceptibility, electrical resistivity, and specific heat measurements show anomalies near 35 K,...
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Magnetism and charge density waves in RNiC2(R=Ce,Pr,Nd)
PublikacjaWe have compared the magnetic, transport, galvanomagnetic, and specific-heat properties of CeNiC2, PrNiC2, and NdNiC2 to study the interplay between charge density waves (CDW) and magnetism in these compounds. The negative magnetoresistance in NdNiC2 is discussed in terms of the partial destruction of charge density waves and an irreversible phase transition stabilized by the field-induced ferromagnetic transformation is reported....
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New technologies for green hydrogen activation, storage, and transportation
PublikacjaDeveloping new green hydrogen activation, storage, and transportation technologies is a highly complex and multidisciplinary endeavor. This challenge arises from integrating various scientific, engineering, and environmental considerations. Effective evaluation of green hydrogen technologies involves a holistic approach that considers not only the technical aspects but also economic, environmental, and social factors. These criteria...
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Stark effect of atomic helium singlet lines
PublikacjaWe present experimental and theoretical investigations of the He spectral series 2S1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) and 2P1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) in electric fields up to 1635 kV/cm. Apart from the allowed transitions with |ΔL|=1, the transitions with |ΔL|=0,2,3,…-without field strictly forbidden-were observed. Several He patterns become similar to hydrogen patterns, which means they are nearly symmetric and show in higher fields...
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Refined theoretical study of radiative association: Cross sections and rate constants for the formation of SiN
PublikacjaRadiative association of silicon mononitride (SiN) in its two lowest molecular electronic states is studied through quantum and classical dynamics. Special attention is paid to the behavior of the cross section at high collision energies. A modified expression for the semiclassical cross section is presented which excludes transitions to continuum states. This gives improved agreement with quantum mechanical perturbation theory...
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Vibrational Sum-Frequency Generation Activity of a 2,4-Dinitrophenyl Phospholipid Hybrid Bilayer: Retrieving Orientational Parameters from a DFT Analysis of Experimental Data
PublikacjaThe vibrational nonlinear activity of films of 2,4-dinitrophenyl phospholipid (DNP) at the solid interface is measured by sum-frequency generation spectroscopy (SFG). Hybrid bilayers are formed by a LangmuirSchaefer approach in which the lipid layer is physisorbed on top of a self-assembled monolayer of dodecanethiol on Pt with the polar heads pointing out from the surface. The SFG response is investigated in two vibrational frequency...
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Modelling charge transfer processes in C2+ -tetrahydrofuran collision for ion-induced radiation damage in DNA building blocks
PublikacjaInvestigations of collision-induced processes involving carbon ions and molecules of biological interest in particular DNA building blocks, are crucial to model the effect of radiation on cells in order to improve medical treatments for cancer therapy. Using carbon ions appears to be one of the most efficient ways to increase biological effectiveness to damage cancerous cells by irradiating deep-seated tumors. Therefore, interest...
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Epitaph of Bartholomew Schachmann in St. Mary's Church in Gdańsk
Dane BadawczeThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk which is dedicated to Bartholomew Schachmann, the mayor to whom Gdańsk owes, among others, the creation of the Neptune Fountain and the decoration of the Red Hall in the New Town Hall. The data set contains one general photo of the epitaph, transcription...
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Epitaph of George Wildtberger in St. Mary's Church in Gdańsk
Dane BadawczeThe data set concerns epigraphy. It refers to the epitaph placed in St. Mary’s Church in Gdańsk which is dedicated to George Wildtberger, personal secretary to king Sigismund III Vasa of Sweden and Poland who died on 8th of February 1593 in Gdańsk. The data set contains one general photo of the epitaph, transcription of its text in Latin, its Polish...
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Modified linear viscoelastic model of earthquake-induced structural pounding
PublikacjaIn recent times, earthquake-induced structural pounding has been intensively studied through the use of different impact force models. The numerical results obtained from the previous studies indicate that the linear viscoelastic model is relatively simple and accurate in modeling pounding-involved behavior of structures during earthquakes. The only shortcoming of the model is a negative value of the pounding force occurring just...
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X-Ray photoemission spectroscopy measurements of the Nb-V-Sr-O ceramics
Dane BadawczeNiobium doped strontium vanadate based perovskite SrV1-xNbxO3-δ materials were prepared via conventional solid state reaction (SSR) method. For comparison, different samples with a various amount of niobium dopant in the structure were synthesized; x = 0; 0,2; 0,5; 0,8 and 1. Samples were sintered by two-steps: first under a pure hydrogen (purity >99.999%)...