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Search results for: RADIATIVE ASSOCIATION
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The role of noble metals in TiO2 nanotubes for the abatement of parabens by photocatalysis, catalytic and photocatalytic ozonation
PublicationThe role of modified TiO2 nanotubes (TNTs) with noble metals was studied for photocatalysis, catalytic and photocatalytic ozonation of a paraben’s mixture. The TNTs were obtained by anodization and were modified by photodeposition with 0.25 mol% of Au, Pt or Pd. Results showed that solar photocatalysis led to higher degradation than UVA radiation, and under UVA radiation, the use of 3 Pt-TNTs (3 TNTs plates modified with Pt) and...
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A mobile loop order–disorder transition modulates the speed of chaperonin cycling
PublicationMolecular machines order and disorder polypeptides as they form and dissolve large intermolecular interfaces, but the biological significance of coupled ordering and binding has been established in few, if any, macromolecular systems. The ordering and binding of GroES co-chaperonin mobile loops accompany an ATP-dependent conformational change in the GroEL chaperonin that promotes client protein folding. Following ATP hydrolysis,...
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Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst
PublicationTime-dependent density functional theory calcula- tions combinedwith the Marcus theory of electron transfer (ET) were app lied on the molecular photocatalys t [(tbbpy) 2 Ru(tpph z)PdC l 2 ] 2 + in order to elucidate thelight-in- duced relaxation pathways populated upon excitation in the longer wavelength range of its absorption spectrum. The computational resultsshow that after the initial excitation, metal (Ru) to ligand (tpphz)chargetransfer...
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Potential energy curves and spectroscopic parameters of the diatomic silver anion and neutral silver dimer
Open Research DataThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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The spontaneous electron emission and rotational predissociation lifetimes of the diatomic silver anion
Open Research DataThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Bogdan Wiszniewski prof. dr hab. inż.
PeopleBogdan Wiszniewski graduated from Gdansk University of Technology in 1977 and was awarded an MSc in computer science and engineering with honours. In 1984 and 1998, respectively, has got his PhD and DSc. In 2006 was awarded a Professor title by the President of Poland. Lectured at the universities in Canada, US and UK. Principal investigator or coordinator in many national and international R&D projects with the significant...
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ThreSpect – A Program for the Determination of the Appearance Energies of Neutral and Ionized Species
PublicationCollisions of photons and charged particles with molecules lead to their excitation, ionization, and dissociation into neutral and ionized fragments. Accurately determining thresholds of the formation of particular products plays a vital role in analyzing processes occurring during these interactions. Therefore, we present a computer program, “ThreSpect,” that allows calculating threshold energies of various species generated in...
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Krzysztof Wilde prof. dr hab. inż.
PeopleKrzysztof Wilde (born January 11th, 1966 in Gdańsk) – expert in bridge structures, structural mechanics and diagnostics of civil structures. He conducted research on vibration reduction systems for bridges exposed to dynamic loads from winds and earthquakes. At present he is interested in the field of nondestructive testing of materials and structural health monitoring systems. Hi is author or coauthor of over 200 publications...
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Analyzing sets of phylogenetic trees using metrics
PublicationThe reconstruction of evolutionary trees is one of the primary objectives in phylogenetics. Such a tree represents historical evolutionary relationships between different species or organisms. Tree comparisons are used for multiple purposes, from unveiling the history of species to deciphering evolutionary associations among organisms and geographical areas. In this paper, we describe a general method for comparing phylogenetictrees...
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Inwestycja w wino – ocena sommelierów, rocznik i liczba punktów dystrybucji a wycena
PublicationW opracowaniu wyznaczono za pomocą współczynników korelacji liniowej Pearsona siłę i kierunek oddziaływania pomiędzy: ceną wina a rocznikiem, ceną wina a oceną sommelierów oraz ceną wina a liczbą punktów dystrybucji. Analizie poddano 8 szczepów winnych z rejonu Bordeaux. Najsilniejszy związek odnotowano pomiędzy ceną wina a rocznikiem trunku. W artykule obliczono także wybrane statystyki opisowe dla ceny wina, oceny przyznawanej...
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Complexation of amino acids derivatives in water by calix[4]arene phosphonic acids
PublicationSeries of the calix[4]arene phosphonic acids with various substituents at the lower rim was synthesized. Complexing properties of these receptors towards methyl esters of six amino acids strongly depended on the calix[4]arene conformation flexibility. The complex formation processes were monitored using 1H NMR spectroscopy (deuterated phosphate buffer at pD 7.3, 22 oC) and association constant values were evaluated. Inherently...
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Natural sweeteners: Sources, extraction and current uses in foods and food industries
PublicationFood producers have leaned towards alternative natural and synthetic sweeteners in food formulations to satisfy market demands. Even so, several synthetic sweeteners (e.g., aspartame, saccharin, sucralose) are becoming less popular due to health-related concerns, lower nutritional values, and controversies around their safety. Conversely, natural sweeteners confer favourable customer perceptions due to their association to a healthier...
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Development of planning education in postcommunist Poland.
PublicationAlthough programs in spatial planning at university level have been developed in Poland only after the transformation of 1989, their roots can be traced back to the first half of the twentieth century when the first university departments with a focus on urban and regional planning were established and courses offered. Today, planning education in Poland presents a robust yet dynamic picture with degrees offered by a range of both...
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The Belt and Road Initiative and export variety: 1996–2019
PublicationThis study examines the association between the Belt and Road Initiative (BRI) and export variety (EV). We propose three hypotheses on how BRI may foster export markets (destinations) or export product lines. The estimates are based on a dataset constructed specifically for this analysis, covering 183 countries and linked with trade data from 1996 to 2019. We apply the instrumental variable (IV) approach in regressions for covering the...
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RSS-Based DoA Estimation Using ESPAR Antenna for V2X Applications in 802.11p Frequency Band
PublicationIn this paper, we have proposed direction-of arrival (DoA) estimation of incoming signals for V2X applications in 802. 11p frequency band, based on recording of received signal strength (RSS) at electronically steerable parasitic array radiator (ESPAR) antenna's output port. The motivation of the work was to prove that ESPAR antenna used to increase connectivity and security in V2X communication can be also used for DoA estimation....
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Self-healing mechanism of metallopolymers investigated by QM/MM simulations and Raman spectroscopy
PublicationThe thermally induced self-healing mechanisms in metallopolymers based on bisterpyridine complexes of iron(II) sulfate and cadmium(II) bromide, respectively, were studied by means of combined quantum mechanical/molecular mechanical (QM/MM) simulations and Raman spectroscopy. Two possible healing schemes, one based on a decomplexation of the cross-linking complexes and a second one relying on the dissociation of ionic clusters,...
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DFT study of low-energy electron interaction with pyridine, pyrazine and their halo derivatives
PublicationIn this work, the density functional theory with B3LYP hybrid functional was employed to calculate quantities useful for estimating the behavior of pyridine, pyrazine and their derivatives monosubstituted with Cl or Br atom, when exposed to low-energy electron impact. Vertical electron affinities obtained in several Pople basis sets and in aug-cc-pVTZ basis set are reported. Although some of the investigated molecules do not form...
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Józef Kotus dr hab. inż.
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The photocurrent quantum efficiency dependence on the applied voltage in organic solar cells
PublicationWe demonstrate that our recently reported model (Szmytkowski 2007 J. Phys. D: Appl. Phys. 40 3352) of the photocurrent quantum efficiency in organic semiconductors explains the external quantum efficiency dependence on the electric field in organic solar cells. This effect can be explained by taking into account that the photogeneration of charge carriers occurs via the electron-hole pair dissociation and the space charge effects...
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XPS (X-ray photoelectron spectroscopy) survey spectra of CPMD and CPMH
Open Research DataXPS (X-ray photoelectron spectroscopy) survey spectra of CPMD and CPMH. XPS spectra were obtained using Al Kɑ (hv=1486.6 eV) radiation with a Prevac system equipped with a Scienta SES 2002 electron energy analyzer operating at constant transmission energy (Ep=50 eV). Sample abbreviations (CPMD, CPMH) are in agreement with the markings used in the linked...
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The XAS spectra of O-K edges, M-L edges and Ce-M edges in Ce0.9M0.1O2
Open Research DataThe dataset consists of XAS spectra of O-K edges, M-L edges of Ce0.9M0.1O2 (where M=Mn, Fe, Co, Ni, Cu) synthesised by reverse microemulsion method. XAS spectra were collected at PIRX beamline in SOLARIS National Synchrotron Radiation Centre. Measurements were perfomed under ultra high vacuum in total electron yield (TEY) mode.
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XPS data of as-grown BDD, as-implanted Mn-BDD, and annealed Mn-BDD thin films
Open Research DataXPS survey spectra and detailed spectra O1, C1s and Mn2p of as-grown BDD, as-implanted Mn-BDD, and annealed Mn-BDD thin films. X-ray photoelectron spectroscopy (XPS) studies were conducted on an Escalab 250 Xi from Thermo Fisher Scientific with an Al Kα radiation. Results were published in the paper ( https://doi.org/10.1002/adfm.202308617)
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Jacek Sołtys dr hab. inż. arch.
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Ocena odporności na zużycie ścierne stopów Ti na elementy pary trącej endoprotez stawu kolanowego
PublicationNajczęściej stosowanym biomateriałem tytanowym na elementy endoprotez stawu kolanowego jest stop Ti6Al4V. Z uwagi na zawartość wanadu, zaliczanego do pierwiastków o dużej toksyczności podejmowane są działania w kierunku zastąpienia wskazanego stopu - stopami bezwanadowymi. Jednym z najbardziej obiecujących jest stop Ti13Nb13Zr zawierający w swoim składzie jedynie pierwiastki witalne, niewywołujące stanów zapalnych i odczynów...
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Marek Moszyński dr hab. inż.
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Magdalena Olczyk dr hab.
PeopleMagdalena Olczyk, a PhD and a DSc in Economics, works as a assistant professor at the Faculty of Economics in Gdansk University of Technology. Her research and academic teaching focus on international economics, in particular, on issues related to international competitiveness. She authored and co-authored over 5 books and 60 articles related to competitiveness, international trade and structural changes
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Study of pH and temperature effect on lipophilicity of catechol-containing antioxidants by reversed phase liquid chromatography
PublicationLipophilicity of selected antioxidant phytochemicals, including flavonoids, phenolic acids and xanthonoids, was determined by reversed phase high performance liquid chromatography with UV detection (RP-HPLC-UV). The analyses run at different temperature and pH conditions in isocratic mode suggested that lipophilicity as distribution coefficient (logD) between aqueous and organic phase decreases with increasing temperature. For...
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Enhanced boron doping of thin diamond films grown in deuterium-rich microwave plasma
PublicationThe boron-doped diamond thin films were growth in deuterium rich microwave plasma in CVD process. The mechanism of influence of plasma composition on boron doping level was studied using optical emission spectroscopy. Deuterium rich plasma results in an increased dissociation of B2H6 precursor and intense boron-radicals' production. In consequence, a higher doping level of diamond films was observed by means of Laser Induced Breakdown...
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Romanika Okraszewska dr inż. arch.
PeopleRomanika Okraszewska, Ph.D., Eng. Arch., is an Assistant Professor at the Faculty of Civil and Environmental Engineering of Gdańsk University of Technology (GUT). Graduated from the mathematical and informatical class at the National Education Commission High School in Gdańsk. Graduated from two faculties of Gdańsk University of Technology, Architecture and Urban Planning (2002) and Management and Economics (2004). Participant...
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Inauguracja roku akademickiego dla studentów zagranicznych
EventsW trakcie uroczystości będzie miało miejsce oficjalne powitanie studentów zagranicznych rozpoczynających naukę na PG.
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Thermodynamic Studies of Interactions between Sertraline Hydrochloride and Randomly Methylated β-Cyclodextrin Molecules Supported by Circular Dichroism Spectroscopy and Molecular Docking Results
PublicationThe interaction between sertraline hydrochloride (SRT) and randomly methylated β-cyclodextrin (RM β CD) molecules have been investigated at 298.15 K under atmospheric pressure. The method used—Isothermal Titration Calorimetry (ITC) enabled to determine values of the thermodynamic functions like the enthalpy (DH), the entropy (DS) and the Gibbs free energy (DG) of binding for the examined system. Moreover, the stoichiometry coefficient...
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Highly linear self-assembled porphyrin wires
PublicationAn efficient noncovalent assembly process involving high geometrical control was applied to a linear bis(imidazolyl zinc porphyrin) 7Zn, bearing C18 substitutents, to generate linear multiporphyrin wires. The association process is based on imidazole recognition within the cavity of the phenanthroline-strapped zinc porphyrin. In chlorinated solvents, discrete soluble oligomers were obtained after (7Zn)n was end-capped with a terminal...
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A new assay based on terminal restriction fragment length polymorphism of homocitrate synthase gene fragments for Candida species identification
PublicationCandida sp. have been responsible for an increasing number of infections, especially in patients with immunodeficiency. Species specific differentiation of the Candida sp. is difficult in routine diagnosis. This identification can have a highly significant association in therapy and prophylaxis. This work has shown a new application of terminal restriction fragment length polymorphism (t-RFLP) method in molecular identification...
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Introduction of Pro and Its Analogues in the Conserved P1 Position of Trypsin Inhibitor SFTI-1 Retains Its Inhibitory Activity
PublicationA number of monocyclic SFTI-1 analogues modified in the conserved inhibitor P1 position by Pro, its L-hydroxyproline (Hyp) derivative as well as mimetics with different ring size were synthesized by the solid-phase method. Replacement of Ser6 by Pro, Hyp, and a four-member ring, L-azetidine-2-carboxylic acid (Aze), retained trypsin or chymotrypsin inhibitory activity. The determined association equilibrium constants of these analogues...
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Quantifying wage effects of offshoring: import- versus export-based measures of production fragmentation
PublicationIn this paper we examine the implications of international fragmentation of production on wages in the light of recent methodological developments in offshoring measurement. In particular, we compare the results stemming from two ways of quantifying offshoring – the traditional one based on import statistics and the one obtained from the decomposition of gross exports and input-output information. In the empirical part of our study,...
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Supporting study tours in the teaching of architectural heritage
PublicationStudy tours are a highly effective way to acquire knowledge. They improve students’ understanding of issues that otherwise may seem partly abstract to them. Presented in this article is the unique way in Poland in which support is given to the teaching of architectural heritage. It has been carried out continuously for almost 50 years in the Faculty of Architecture at Gdańsk University of Technology (FA-UT), Gdańsk, Poland, in...
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Ryszard Katulski prof. dr hab. inż.
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PROMARC Promoting Maritime Research Careers
ProjectsProject realized in Faculty of Ocean Engineering and Ship Technology according to 218590 agreement from 2008-12-18
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Luminescence of CaWO4:Pr3+ and CaWO4:Tb3+ at ambient and high hydrostatic pressures
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Luminescence of Ca(NbO3)2:Pr3+: Pr3+ and self-trapped exciton emission
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Microdosimetric analysis of response of LiF:Mg,Cu,P (MCP-N) TL detectors for alpha-particles and ultra-high doses of gamma-rays
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Comparison of commercial thermoluminescent readers regarding high-dose high-temperature measurements
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Investigation of OSL signal of resistors from mobile phones for accidental dosimetry
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Measurements of high-temperature emission spectra of highly irradiated LiF:Mg,Cu,P (MCP-N) TL detectors
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Luminescent properties of Tb and Eu activated AxB1-xAlO3 (A = Y, Lu, Gd; B = Lu; x = 0, 0.5, 1) mixed oxides crystals prepared by micro-pulling-down method
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Analysis of TL and OSL kinetics of lithium aluminate
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Study of radioluminescence in LiMgPO4 doped with Tb, B and Tm
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Radial distribution of dose within heavy charged particle tracks – Models and experimental verification using LiF:Mg,Cu,P TL detectors
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Thermoluminescence kinetics of undoped and doped (Ti, Cu, Ce) lithium aluminate crystals
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Thermoluminescent response of differently doped lithium magnesium phosphate (LiMgPO4, LMP) crystals to protons, neutrons and alpha particles
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