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Search results for: FREE ENERGIES OF BINDING
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Influence of different cultivation systems on bioactivity of asparagus
PublicationEvaluation 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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Immunoanalityka – użyteczne podejście analityczne w badaniach środowiska
PublicationWażnym 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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Utilization of shale cuttings in production of lightweight aggregates
PublicationThe 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
PublicationCross 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.
PublicationBenzonaza 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
PublicationA 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.
PublicationAn 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
Open Research DataThe 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
PublicationMost 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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Novel primosomal protein B from thermophilic bacterium Thermoanerobacter tengcongensis
PublicationWe 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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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
PublicationThe 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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A dipole-driven path for electron and positron attachments to gas-phase uracil and pyrimidine molecules: a quantum scattering analysis
PublicationElectron 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.
PeopleBACKGROUND 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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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublicationThe 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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H2O˙+ and OH+ reactivity versus furan: experimental low energy absolute cross sections for modeling radiation damage
PublicationRadiotherapy 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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Low energy elastic scattering of electrons from hexafluoropropene (C3F6)
PublicationWe present cross sections from a joint experimental and theoretical study on elastic electron scattering from hexafluoropropene (C3F6) in the gas phase. The experimental results, using low energy electron spectroscopy, were obtained at incident electron energies of 0.5, 1, 1.5, 2, 3, 4, 5, 6, 10, 12, 15 and 20 eV, for scattering angles ranging from 10°to 130°. The theoretical method used in the computation of the integral, momentum...
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Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects
PublicationThe 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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Cooperativity of Halogen- and Chalcogen-Bonding Interactions in the Self-Assembly of 4‑Iodoethynyl- and 4,7-Bis(iodoethynyl)benzo-2,1,3-chalcogenadiazoles: Crystal Structures, Hirshfeld Surface Analyses, and Crystal Lattice Energy Calculations
PublicationSeveral new 4-iodoethynyl- and 4,7-bis- (iodoethynyl)benzo-2,1,3-chalcogenadiazoles were prepared, and a comprehensive analysis of the most prominent secondary bonding interactions responsible for the crystal self-assembly was performed using X-ray diffraction. The presence of both the iodoethynyl and chalcogenadiazole moieties allows an evaluation of the preference of these molecules to aggregate through either chalcogen- or halogen-bonding...
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Cross sections for electron collision with pyridine [C5H5N] molecule
PublicationThe absolute grand -total cross section (TCS) for electron scattering from pyridine, C5H5N, molecules has been measured at impact energies from 0.6 to 300 eV in the linear electron-transmission experiment. The obtained TCS energy dependence appears to be typical for targets of high electric-dipole moment; the cross section generally decreases with rising energy, except for the 3–20 eV range, where a broad enhancement peaked near...
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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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Decision Support in Selecting a Reliable Strategy for Sustainable Urban Transport Based on Laplacian Energy of T-Spherical Fuzzy Graphs
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Crystalline Silicon (c-Si)-Based Tunnel Oxide Passivated Contact (TOPCon) Solar Cells: A Review
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Side Fins Performance in Biomimetic Unmanned Underwater Vehicle
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A Comparison of the Exergy Efficiencies of Various Heat-Integrated Distillation Columns
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BelBuk System—Smart Logistics for Sustainable City Development in Terms of the Deficit of a Chemical Fertilizers
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Kinetics of Biotic and Abiotic CO Production during the Initial Phase of Biowaste Composting
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Innovative Energy-Saving Propulsion System for Low-Speed Biomimetic Underwater Vehicles
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Modeling of CO Accumulation in the Headspace of the Bioreactor during Organic Waste Composting
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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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