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Photoelectron spectroscopy of a series of acetate and propionate esters
PublikacjaThe electronic state and photoionization spectroscopy of a series of acetate esters: methyl acetate, isopropyl acetate, butyl acetate and pentyl acetate as well as two propionates: methyl propionate and ethyl propionate, have been determined using vacuum-ultraviolet photoelectron spectroscopy. These experimental investigations are complemented by ab initio calculations. The measured first adiabatic and vertical ionization energies...
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Estimation of structural stiffness with the use of Particle Swarm Optimization
PublikacjaThe paper presents the theoretical background and four applications examples of the new method for the estimation of support stiffness coefficients of complex structures modelled discretely (e.g. with the use of the Finite Element Model (FEM) method based on the modified Particle Swarm Optimization (PSO) algorithm. In real-life cases, exact values of the supports’ stiffness coefficients may change for various reasons...
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Dissociation of 2-oxopropanoic acid by low energy electrons
PublikacjaElectron attachment to molecular target can lead to a variety of negative fragment ions. We experimentally probe the main dissociative electron attachment (DEA) channels in 2-oxopropanoic acid (CH3 - CO - COOH) - an important trace component in the Earth's atmosphere. In our studies we utilise nearly mono-energetic electrons at electron energies from 0 eV up to 15 eV.
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Proton affinities of simple organic compounds
PublikacjaThe Restricted Hatree-Fock method with 6-311G** split-valence molecular orbitals basis sets has been applied to geometrical optimizations and calculations of total electronic, zero point vibrational energies and proton affinities at 298 K for small neutral and protonated alkanes, alcohols, acetic acid, methyl and ethyl acetate, acetone, and acetaldehyde. Calculated values of proton affinities are compared with experimental data.
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Deflection measurement of field section with pavement with base course made of Cement Bitumen Treated Material Mixture C3E4 (28, 180, 270, 365 days after compaction)
Dane BadawczeDataset presents data of deflections determined for pavement with base course made of cold recycled mixture – cement bitumen treated material mixture with following binding agents: 3% cement, 4% emulsion (C3E4). Mixture was designed according to Polish requirements for the base course of pavement. Mixture was mixed in stationary plant and compacted...
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Fatigue data of Cement Bitumen Treated Material Mixture C3E5.5 (Direct tension, over 28 days of curing at 20C)
Dane BadawczeFatigue data of Cement Bitumen Treated Material Mixture C3E5.5 (Direct tension, over 28 days of curing at 20C)
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Depth profile of the composition of 8 nm Al2O3 thin film
Dane Badawcze8 nm layer of aluminum oxide (Al2O3) was deposited by ALD method on a s. Atomic layer deposition provides precise thickness control down to a single atomic layer. The precursors used were trimethylaluminum (Sigma-Aldrich) and purified water. The deposition of the atomic layer was carried out at 200 °C. To investigate the profile of concenration of...
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Autocorrelation function for the chosen effective potential of the diatomic silver anion
Dane BadawczeThe 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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Immunoanalityka – użyteczne podejście analityczne w badaniach środowiska
PublikacjaWażnym krokiem w rozwoju bezpośrednich metodyk analitycznych było opracowanie technik immunoanalitycznych. Początkowo znalazły one zastosowanie praktyczne w analityce medycznej a później także w analityce środowiskowej. Dzięki temu możliwe jest ilościowe oznaczenie stosunkowo szerokiego spektrum ksenobiotyków w próbkach charakteryzujących się złożonym składem matrycy bez praco- i czasochłonnego etapu przygotowania tych próbek do...
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Selective detection of F- by chromogenic tetrazole receptor
PublikacjaA chromogenic anion host 4, containing two amide functionalities linked to azo dye and tetrazole rings was synthesized and its complexes with various anions were investigated. The results show that receptor 4 can recognize selectively biologically important F- ion. The binding affinity for F- was investigated by naked-eye colour change, UV-Vis and 1H NMR spectroscopy. Addition F- ion in CH3CN and DMSO to receptor 4 cause a colour...
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The Ellenbogen's "Matter as Software" Concept for Quantum Computer Implementation: II Bonding Between the C60 and X@C60 Molecules as Available Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Quantum Computing Devices
PublikacjaThe binding energy, BE of the X@C60-X@C60 homodimer and the X@C60-Y@C60 heterodimer resulting from the bond formation between the occupied X@C60 MBB and the C60 molecule was studied by means of semiempirical PM7 calculations, where X and Y denote atoms from H to Bi, excluding Tc and lanthanides. All possible combinations of N = 68 guest atoms were considered, which resulted in K = 2346 of different calculated dimers of (X@C60-Y@C60)...
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Influence of different cultivation systems on bioactivity of asparagus
PublikacjaEvaluation of functional and bioactive compounds of Asparagus officinalis L. growing in conventional and organic greenhouse and conventional open –field farming was the aim of this research. Polyphenols in cladodes grown conventionally were higher than organic. Flavonoids and carotenoids were the highest in cladodes in open field. Organic spears were richer in total phenolics (+6.9% and +19.1%) and flavonoids (+4.7% and 16.8%)...
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Utilization of shale cuttings in production of lightweight aggregates
PublikacjaThe development of technologies for unconventional hydrocarbon exploration requires designing procedures to manage drilling waste that are consistent with the waste management hierarchy. In view of this, the possibility to apply shale drill cuttings as a prospective additive (replacing bentonite) to fly ash used for the production of lightweight aggregates (LWAs) was investigated. Moreover, a facile, waste-free method of LWAs production...
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ELECTRON-IMPACT IONIZATION CROSS SECTIONS CALCULATIONS FOR PURINE AND PYRIMIDINE MOLECULES
PublikacjaCross sections for electron-impact ionization of purine and pyrimidine molecules have been calculated using binary-encounter-Bethe method for electron energies ranging from the ionization threshold up to 5 keV. Ionization cross section for purine molecules is 1.4 times higher than for pyrimidine molecules. Acceptable agreement between experimental and theoretical ionization data for pyrimidine molecule has been found.
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Benzonaza(R): możliwości praktycznych zastosowań.
PublikacjaBenzonaza znajduje zastosowanie w efektywnym obniżaniu lepkości i usuwaniu kwasów nukleinowych z roztworów białkowych. Zbadano w praktyce jej możliwości aplikacyjne w oczyszczaniu białek rekombinantowych wiążących jednoniciowe DNA (ang. SSB - single stranded DNA binding protein).
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Joint experimental and theoretical study on low-energy elastic electron scattering by gaseous alkynes: Differential cross sections, shape resonances, and methylation effects
PublikacjaA detailed comparison of experimental and theoretical elastic cross sections for low-energy electron scattering by ethyne, taken earlier in our group by Gauf et al. [Phys. Rev. A 87, 012710 (2013)], and some of its methylated derivatives, propyne, and the isomers 1-butyne and 2-butyne, taken here, are presented. The present differential cross sections were measured at incident electron energies ranging from 1 eV to 30 eV and...
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Influence of orientational disorder on the optical absorption properties in hybrid metal‐halide perovskite CH3NH3PbI3. A combined DFT/TD‐DFT and experimental study.
PublikacjaAn experimental and theoretical investigation is reported to analyze the relation between the structural and absorption properties of CH3NH3PbI3 in the tetragonal phase. More than 3000 geometry optimizations were performed in order to reveal the structural disorder and to identify structures with the lowest energies. The electronic structure calculations provide an averaged band gap of 1.674 eV, which is in excellent agreement...
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Electrical conductivity relaxation measurements - oxidation and reduction of BaCe0.6Zr0.2Y0.1Tb0.1O3-δ
Dane BadawczeThe dataset consists of 2 main catalogs: measurements performed for oxidation/reduction in dry conditions and in humid conditions. For Electrical Conductivity Relaxation (ECR) measurements, platinum reversible electrodes were applied in a four-probe arrangement and the sample was measured in the ProboStat™ measurement system. The ECR measurements were...
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Role of the Solvation Water in Remote Interactions of Hyperactive Antifreeze Proteins with the Surface of Ice
PublikacjaMost protein molecules do not adsorb onto ice, one of the exceptions being so-called antifreeze proteins. In this paper, we describe that there is a force pushing an antifreeze protein molecule away from the ice surface when it is not oriented with its ice-binding plane toward the ice and that this pushing force may be also present even when the protein is oriented with its ice-binding plane toward the ice. This force is absent...
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The role of microbial coagulants on the physicochemical, proteolysis, microstructure and sensory properties of low-fat Edam cheese manufactured from ultrafiltered buffalo milk
PublikacjaThis work investigates the influence of using microbial coagulants, including Rhizomucor miehei (MCR) protease and Cryphonectria parasitica (MCC) protease, on the quality characteristics of low-fat Edam cheese made from ultrafiltered buffalo milk (LFUE). Concurrently, a benchmark with calf rennet (CR) has been also performed. Throughout a 90-day ripening period, the cheeses were assessed for their physicochemical features, proteolysis,...
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Lipid peroxidation in the onset of neuroborreliosis
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Liver antioxidant defense after FAAH inhibitor - URB-597 administration to DOCA-salt-induced hypertension in rats
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The cross-talk between oxidative stress and endocannabinoid system in keratinocytes after UV irradiation
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Tick-borne encephalitis - lipid peroxidation and its consequences
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Antioxidants and HNE in redox homeostasis
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Peroxidative metabolism of fatty acids in the course of tick-borne encephalitis
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The cross talk between redox and endocannabinoids systems in the kidney of hypertensive rats after inhibitor FAAH - URB597 administration
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Antioxidants and HNE in the regulation of redox homeostasis
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Lipid peroxidation as a consequence of diabetes: effects of different treatment
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Lipid peroxidation in the pathogenesis of neuroborreliosis
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Nucleotide excision repair of oxidised genomic DNA is not a source of urinary 8-oxo-7,8-dihydro-2′-deoxyguanosine
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Supplementation with antioxidant vitamins prevents oxidative modification of DNA in lymphocytes of HIV-infected patients
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Further evidence that oxidative stress may be a risk factor responsible for the development of atherosclerosis
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Aberrant repair of etheno–DNA adducts in leukocytes and colon tissue of colon cancer patients
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Vitamin C enhances substantially formation of 5-hydroxymethyluracil in cellular DNA
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Oxidative DNA damage: assessment of the role in carcinogenesis, atherosclerosis, and acquired immunodeficiency syndrome1 1This article is part of a series of reviews on “Oxidative DNA Damage and Repair.” The full list of papers may be found on the homepage of the journal.
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ERCC1-deficient cells and mice are hypersensitive to lipid peroxidation
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Modeling the photodynamic effect in 2D versus 3D cell culture under normoxic and hypoxic conditions
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The comparison of antioxidant properties and nutrigenomic redox-related activities of vitamin C, C-vitamers, and other common ascorbic acid derivatives
PublikacjaThe term ‘vitamin C’ describes a group of compounds with antiscorbutic activity of L-ascorbic acid (AA). Despite AA’s omnipresence in plant-derived foods, its derivatives have also been successfully implemented in the food industry as antioxidants, including the D-isomers, which lack vitamin C activity. This study aimed to determine the relationship between redox-related activities for five derivatives of AA using electrochemical,...
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Novel primosomal protein B from thermophilic bacterium Thermoanerobacter tengcongensis
PublikacjaWe report the identification and characterization of theprimosomal protein B (PriB) from thermophilic bacteriumThermoanerobacter tengcongensis (TtePriB). It is the largestknown bacterial PriB protein consisting 216 amino acidresidues with a calculated molecular mass of 25 kDa. Surprisingly,it is functional as monomer containing two single-stranded DNA binding domain (OB-fold) and it is thecompletely new kind structure of SSB protein....
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A dipole-driven path for electron and positron attachments to gas-phase uracil and pyrimidine molecules: a quantum scattering analysis
PublikacjaElectron and positron scattering processes in the gas-phase are analysed for uracil and pyrimidine molecules using a multichannel quantum approach at energies close to threshold. The special effects on the scattering dynamics induced by the large dipole moments in both molecules on the spatial features of the continuum leptonic wavefunctions are here linked to the possible bound states of the Rydberg-like molecular anions or ‘positroned’...
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Natalia Sokół dr inż.
OsobyBACKGROUND Master of Science in Light and Lighting (2008-2009/11) The UCL Bartlett School of Graduate Studies, Faculty of the Built Environment, London, UK, www.bartlett.ucl.ac.uk MA Degree in Interior Architecture (1999-2004), The Academy of Fine Arts, Poznan, Poland, www.uap.edu.pl MA Degree in Art Education (1997-2002), Academy of Fine Arts, Poznan, Poland, www.uap.edu.pl MAIN RESEARCH AREAS · ...
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H2O˙+ and OH+ reactivity versus furan: experimental low energy absolute cross sections for modeling radiation damage
PublikacjaRadiotherapy is one of the most widespread and efficient strategies to fight malignant tumors. Despite its broad application, the mechanisms of radiation-DNA interaction are still under investigation. Theoretical models to predict the effects of a particular delivered dose are still in their infancy due to the difficulty of simulating a real cell environment, as well as the inclusion of a large variety of secondary processes. This...
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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublikacjaThe importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized...
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The Influence of LED Lighting Sources on the Nature of Power Factor
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Identification of Non-Stationary Magnetic Field Sources Using the Matching Pursuit Method
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Analysis of Business Customers’ Energy Consumption Data Registered by Trading Companies in Poland
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A CUSUM-Based Approach for Condition Monitoring and Fault Diagnosis of Wind Turbines
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Quality of Life Surveys as a Method of Obtaining Data for Sustainable City Development—Results of Empirical Research
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Restructuring of the Coal Mining Industry and the Challenges of Energy Transition in Poland (1990–2020)
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