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Search results for: glcn-6-p%20synthase
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Electronic structure of PrBa2Cu3O7 after high-pressure compressionfrom first principles
PublicationW pracy zbadano wpływ ściskania wysokociśnieniowego (P=9GPa) na elektronową strukturę pasmową, rozkład ładunku i momenty magnetyczne w pełni utlenionego stechiometrycznego układu PrBa2Cu3O7. Zaobserwowano następujące zmiany wywołane ściskaniem: (1) zmniejszoną gęstość stanów (DOS) na poziomie Fermiego Ef, (2) zwiększona różnicę pomiędzy wartościami DOS dla stanów "spin-up" i "spin-down" w najbliższym otoczeniu Ef, (3) zmniejszone...
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Theoretical calculation of pKas of phosphoric (V) acidin the polarisable continuum and cluster-continuum models
PublicationW pracy oceniono dokładność modelu polaryzowalnego kontinuum (PCM) i mieszanego modelu klaster-kontinuum do przewidywania wartości trzech kolejnych stałych dysocjacji kwasu fosforowego (V). Obliczenia PCM na poziomie MP2/6-31+G(d,p) odtwarzają wartość pierwszego pKa z rozsądną niepewnością, jednak wartości kolejnych pKa obarczone są bardzo dużym błędem, nawet po podniesieniu poziomu teorii do metody zespolonej G3B3. Dopiero obliczenia...
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Ionophores in polymeric membranes for selective ion recognition:impedance studies
PublicationW pracy badano dwa typy elektrod: membranowe elektrody jonoselektywne (ISE) oraz elektrody nowego typu all-solid-state (AAS). Elektrody AAS zawierają przewodzącą warstwę polimerową na węglu szklistym lub platynie, na który nałożona jest membrana zawierająca jonofor. Do badań użyto dwa jonofory: p-tert-butylokaliks[4]aren-korona-4 (L1) selektywnie kompleksująca jony Na+ oraz kaliks[4]aren-korona-6 (L2) selektywnie kompleksująca...
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5-Thiocyanato-2′-deoxyuridine as a possible radiosensitizer: electron-induced formation of uracil-C5-thiyl radical and its dimerization
PublicationIn this work, we have synthesized 5-thiocyanato-2′-deoxyuridine (SCNdU) along with the C6-deuterated nucleobase 5-thiocyanatouracil (6-D-SCNU) and studied their reactions with radiation-produced electrons. ESR spectra in γ-irradiated nitrogen-saturated frozen homogeneous solutions (7.5 M LiCl in H2O or D2O) of these compounds show that electron-induced S–CN bond cleavage occurs to form a thiyl radical (dU-5-S˙ or 6-D-U-5-S˙) and...
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Uptake, accumulation, and translocation of Zn, Cu, Pb, Cd, Ni, and Cr by P. australis seedlings in an urban dredged sediment mesocosm: impact of seedling origin and initial trace metal content
PublicationThe study presents results from 6 months of phytoremediation of sediments dredged from three urban retention tanks carried out in a mesocosm setup with the use of P. australis. Two kinds of P. australis seedlings were considered: seedlings originating from natural (uncontaminated - Suncont) and anthropogenically changed environments (contaminated – Scont); this distinction was reflected in the baseline concentrations of trace metals...
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DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
PublicationInteractions between a solvent and their co-solute molecules in solutions of peptides are crucial for their stability and structure. The K-peptide is a synthetic fragment of a larger hen egg white lysozyme protein that is believed to be able to aggregate into amyloid structures. In this study, a complex experimental and theoretical approach is applied to study systems comprising the peptide, water, and two co-solutes: trimethylamide...
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Pełnienie nadzoru naukowego nad naprawą po awarii i dalszą budową konstrukcji mostu M-78. Ekspertyza techniczna
PublicationCelem opracowania jest szczegółowa analiza mostu M-78 wykonywanego w ramach zadania „Projekt i budowa drogi ekspresowej S-6 na odcinku od węzła „Kołobrzeg Zachód" /bez węzła/ węzeł „Ustronie Morskie" /z węzłem/ oraz „Budowa obwodnicy m. Kołobrzeg w ciągu drogi krajowej nr 11” ”. Opracowanie w sposób szczegółowy przedstawia prace zrealizowane na potrzeby wydanych opinii technicznych w trakcie realizacji mostu. Zakres opracowania...
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Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol
PublicationThe electronic spectrum of alizarin (AZ) in methanol solution was measured and used as reference data for color prediction. The visible part of the spectrum was modelled by different DFT functionals within the TD-DFT framework. The results of a broad range of functionals applied for theoretical spectrum prediction were compared against experimental data by a direct color comparison. The tristimulus model of color expressed in terms...
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Studies on the charge density distribution in p-substituted phenylnitrenium cation
PublicationAniline and its derivatives are known to be mutagenic. This activity is caused by the formation of phenylnitrenium cations during aniline oxidation. Reactivity of the positively charged chemical species can be measured by means of s+ substituent constant. In this paper charge density distribution in p-substituted nitrenium cations and reactivity indices such as, hardness η, electronegativity χ , and electrophilicily ω were analyzed....
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Future of nature, our future. A preregistered report on future time perspective, social value orientation, and pro-environmental outcomes based on data from Poland and Sweden
PublicationIntroduction: The objective of the study was to examine the role of social value orientation and future time perspective to account for individual differences in pro-environmental behaviors, intentions, and opinions about the link between pro-environmental action and pandemic threat (three separate models) in Polish and Swedish samples expected to differ in rate of pro-environmental behaviors (higher in Sweden). We hypothesized...
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Decolorisation of Methylene Blue with Sodium Persulfate Activated with Visible Light in the Presence of Glucose and Sucrose
PublicationThe paper presents the results of research on the methylene blue (MB) degradation with sodium persulfate (PDS) activated with visible light (Vis) in the presence of glucose and sucrose. The following test were examined: absence and presence of sugars in concentrations of 50–300 mM, presence and absence of Vis radiation, pH of the model solution (6.0–12.0), identification of free radicals, kinetics of the pseudo-first-order reaction....
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Ball milling induced borophene flakes fabrication
PublicationTo fill the knowledge gap for borophene, as the youngest member of the two-dimensional (2D)nanomaterials family, a facile, cost effective, scalable and reproducible fabrication route is still stronglyrequired. Among so far studied techniques the potential of pure mechanical processes such as ballmilling is not explored yet. Therefore, in this contribution, we explore the efficiency...
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Seismic damage diagnosis in adjacent steel and RC MRFs considering pounding effects through improved wavelet-based damage-sensitive feature
PublicationThis paper aims to propose complex Morlet (cmorfb-fc) wavelet-based refined damage-sensitive feature (rDSF) as a new and more precise damage indicator to diagnose seismic damages in adjacent steel and Reinforced Concrete (RC) Moment Resisting Frames (MRFs) assuming pounding conditions using acceleration responses. The considered structures include 6- and 9-story steel and 4- and 8-story RC benchmark...
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Cobalt(II) tri-tert-butoxysialanethiolates.Synthesis, properties, crystal and molecular structures of [Co{SSi(OtBu)3}2(L)] and[Co{SSi(OtBu)3}2(L)2] type complexes with monodentate nitrogen ligands.
PublicationThe title heteroleptic neutral cobalt(II) tri-tert-butoxysilanethiolate complexes with monodentate nitrogen bases (L) as additional ligands have been prepared by the reactions of [Co{μ-SSi(OtBu)3}{SSi(OtBu)3}(NH3)]2 (1) with respective bases. For pyridine both types have been prepared...
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Guanosine Dianions Hydrated by One to Four Water Molecules
PublicationIntermolecular interactions such as those present in molecule···water complexes may profoundly influence the physicochemical properties of molecules. Here, we carried out an experimental–computational study on doubly deprotonated guanosine monophosphate···water clusters, [dGMP – 2H]2–·nH2O (n = 1–4), using a combination of negative anion photoelectron spectroscopy (NIPES) with molecular dynamics (MD) and quantum chemical (QM) calculations....
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Assessment of the technological reliability of a hybrid constructed wetland for wastewater treatment in a mountain eco-tourist farm in Poland
PublicationThe aim of the present study was to assess the technological reliability of a domestic hybrid wastewater treatment installation consisting of a classic three-chambered (volume 6 m3) septic tank, a vertical flow trickling bed filled with granules of a calcinated clay material (KERAMZYT), a special wetland bed constructed on a slope, and a permeable pond used as a receiver. The test treatment plant was located at a mountain eco-tourist...
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Integration Data Model of the Bathymetric Monitoring System for Shallow Waterbodies Using UAV and USV Platforms
PublicationChanges in the seafloor relief are particularly noticeable in shallow waterbodies (at depths up to several metres), where they are of significance for human safety and environmental protection, as well as for which the highest measurement accuracy is required. The aim of this publication is to present the integration data model of the bathymetric monitoring system for shallow waterbodies using Unmanned Aerial Vehicles (UAV) and...
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Advanced Scalar-valued Intensity Measures for Residual Drift Prediction of SMRFs with Fluid Viscous Dampers
PublicationMaximum Residual Inter-story Drift Ratio (RIDRmax) plays an important role to specify the state of a structure after severe earthquake and the possibility of repairing the structure. Therefore, it is necessary to predict the RIDRmax of Steel Moment-Resisting Frames (SMRFs) with high reliability by employing powerful Intensity Measures (IMs). This study investigates the efficiency and sufficiency of scalar-valued IMs for predicting...
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Diaryl Sulfide Derivatives as Potential Iron Corrosion Inhibitors: A Computational Study
PublicationThe present work aimed to assess six diaryl sulfide derivatives as potential corrosion inhibitors. These derivatives were compared with dapsone (4,4′-diaminodiphenyl sulfone), a common leprosy antibiotic that has been shown to resist the corrosion of mild steel in acidic media with a corrosion efficiency exceeding 90%. Since all the studied compounds possess a common molecular backbone (diphenyl sulfide), dapsone was taken as the...
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Hydrodynamic cavitation based advanced oxidation processes: Studies on specific effects of inorganic acids on the degradation effectiveness of organic pollutants
PublicationThe use of cavitation in advanced oxidation processes (AOPs) to treat acidic effluents and process water has become a promising trend in the area of environmental protection. The pH value of effluents – often acidified using an inorganic acid, is one of the key parameters of optimization process. However, in the majority of cases the effect of kind of inorganic acid on the effectiveness of degradation is not studied. The present...
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Pesticides in rain and roof runoff waters from an urban region
PublicationThe levels of organonitrogen, organochlorine and organophosphorus pesticides were monitored in rain and roof runoff waters in Gdask (Poland) over a period of 6 months (October 2000 - March 2001). Buildings included in the study were of different ages, and covered with a variety of roofing materials. Samples were collected during the precipitation events. Pesticides were determined by gas chromatography combined with NPD and ECD...
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The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results
PublicationThe mechanisms of retro-Diels–Alder fragmentation of luteolin are studied theoretically using the Density Functional Theory method (B3LYP hybrid functional) together with the 6-311++G(d,p) basis set and supported by electrospray ionization tandem mass spectrometry (ESI-MS) results. The reaction paths leading to the formation of 1,3A and 1,3B fragment ions observed as the main spectral features in the ESI-MS spectrum are described...
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Physiological Biomarkers Assessed by Low‐Tech Exercise Tests Predict Complications and Overall Survival in Patients Undergoing Pneumonectomy Due to Lung Cancer
PublicationDue to its debilitating character pneumonectomy this is last‐resort procedure. Preoperative results of the 6‐min walking test (6MWT) help to identify high risk of postoperative complications and increased mortality in patients undergoing lobectomy for lung cancer. The aim of the study was to validate the value of 500 m in 6MWT as an indicator, which differentiates risk of complications in patients undergoing pneumonectomy. 125...
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Performance Analysis and Quantification of BeiDou Navigation Satellite System (BDS-3)
PublicationPositioning, Navigation, and Timing (PNT) information play a vital role in everyday life of common persons. People greatly rely on Global Navigation Satellite System (GNSS)-enabled applications for navigation to reach their desired destination. However, GNSS navigation performance is highly degraded in urban environments due to the high probability of signal interruption, multipath (MP), and/or non-line-of-sight (NLOS) signal...
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Monitoring strategy for industrially contaminated rivers - A study of all year round behaviour of Klodnica river catchment, upper Silesia, Poland
PublicationThe study was undertaken to thoroughly characterise the contamination of water in industrially influenced river Klodnica, in order to explore monitoring strategies in case of limited analytical capacity. Statistical analysis undertaken after a short study was found to be helpful in reducing monitoring efforts in the future.Klodnica river is located within area of dominating coal mining, metallurgy, and additionally being influenced...
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A comparison of structural and luminescence properties of lead(II) coordination polymers with isomeric thiophenecarboxylate ligands
PublicationTwo 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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OECD Guidelines for Micro Statistics on Household Wealth
PublicationThis report reflects the contributions of members of the OECD Expert Group on Micro Statistics on Household Income, Consumption and Wealth. Members of the Expert Group included representatives from National Statistical Offices – Bob McColl (Chair, Australia); Alison Hale (Canada); Andre Bustamante and David Niculcar (Chile); Henrik Sejerbo Soerensen (Denmark); Yafit Alfandari (Israel); Shinji Yoshioka (Japan); Sinho Kim...
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The influence of different time durations of thermal processing on berries quality
PublicationBioactive compounds (polyphenols, flavonoids, flavanols, tannins, anthocyanins and ascorbic acid) and the level of antioxidant activity by ABTS, DPPH, FRAP and CUPRAC of water, acetone and hexane extracts of Chilean 'Murtilla' (Ugni molinae Turcz) and 'Myrteola' berries (Myrtaceae, Myrteola nummularia (Poiret) Berg.), Chilean and Polish blueberries (Vaccinium corymbosum), Chilean raspberries (Rubus idaeus), and Polish black chokeberry...
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Green energy extraction for sustainable development: A novel MPPT technique for hybrid PV-TEG system
PublicationThe Photovoltaic (PV) module converts only a small portion of irradiance into electrical energy. Most of the solar energy is wasted as heat, resulting in a rise in PV cell temperature and a decrease in solar cell efficiency. One way to harvest this freely available solar thermal energy and improve PV cell efficiency is by integrating PV systems with thermoelectric generators (TEG). This cogeneration approach of the hybrid PV-TEG...
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The effect of exogenous application of methyl jasmonate on the lipid and carbohydrate content and composition of winter triticale (Triticosecale Wittm.) grain and the severity of fungal infections in triticale plants and grain
PublicationKernels of winter triticale (Triticosecale Wittm. cv. Dinaro) were analyzed. In the autumn of 2015, the effect of methyl jasmonate (MJ) on the germination of triticale kernels and the development of triticale seedlings was analyzed in a laboratory before kernels were sown in experimental plots. Kernels harvested from plots in August 2016 were analyzed to determine their lipid and carbohydrate content and composition and the severity...
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Intramolecular Proton Transfer in the Radical Anion of Cytidine Monophosphate Sheds Light on the Sensitivities of Dry vs Wet DNA to Electron Attachment-Induced Damage
PublicationSingle-strand breaks (SSBs) induced via electron attachment were previously observed in dry DNA under ultrahigh vacuum (UHV), while hydrated electrons were found not able to induce this DNA damage in an aqueous solution. To explain these findings, crossed electron-molecular beam (CEMB) and anion photoelectron spectroscopy (aPES) experiments coupled to density functional theory (DFT) modeling were used to demonstrate the fundamental...
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Ruthenium(II) and Iridium(III) Complexes as Tested Materials for New Anticancer Agents
PublicationThe oncological use of cisplatin is hindered by its severe side eects and a very important resistance problem. To overcome these problems, scientists have attempted to design new generation transition-metal anticancer complexes. In this study, we present new complexes, ruthenium(II) [(6-p-cymene)RuCl(py2CO)]PF6 (1), iridium(III) [(5-Cp)IrCl(py2CO)]PF6 (2), and NH4[IrCl4(py2CO)]H2O (3), based on di-2-pyridylketone (py2CO). The prepared...
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Diversity and distribution of Tardigrada in Arctic cryoconite holes
PublicationDespite the fact that glaciers and ice sheets have been monitored for more than a century, knowledge on the glacial biota remains poor. Cryoconite holes are water-filled reservoirs on a glacier’s surface and one of the most extreme ecosystems for microinvertebrates. Tardigrada, also known as water bears, are a common inhabitant of cryoconite holes. In this paper we present novel data on the morphology, diversity, distribution and...
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Molecularly targeted nanoparticles: an emerging tool for evaluation of expression of the receptor for advanced glycation end products in a murine model of peripheral artery disease
PublicationAbstract Background: Molecular imaging with molecularly targeted probes is a powerful tool for studying the spatio-temporal interactions between complex biological processes. The pivotal role of the receptor for advanced glycation end products (RAGE) in numerous pathological processes, aroused the demand for RAGE targeted imaging in various diseases. In the study, we evaluated the use of a diagnostic imaging agent for RAGE quantification...
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Z historii Politechniki Gdańskiej 1904-1945
PublicationPolitechnika Gdańska rozpoczęła swoją działalno