Search
Filters
total: 631
filtered: 449
Search results for: free energy
-
<title>Cavity control system advanced modeling and simulations for TESLA linear accelerator and free electron laser</title>
Publication -
Extraction of mass spectra free of background and neighboring component contributions from gas chromatography/mass spectrometry data
Publication -
LF NMR spectroscopy analysis of water dynamics and texture of Gluten-Free bread with cricket powder during storage
Publication -
New matrix-free reference materials of volatile compounds - application of glass fibres as support materials for surface compounds
PublicationTechnika termicznego rozkładu związków powierzchniowych, znana od ponad dziesięciu lat, ulega ciągłym udoskonaleniom w celu otrzymywania coraz szerszej gamy wzorców analitycznych występujących na coraz niższych poziomach stężeń. Początkowo w roli nośnika stosowano żel krzemionkowy, który w trakcie dalszych faz rozwoju tej techniki zastąpiono kolejno szkłem porowatym, a następnie włóknem szklanym. W ostatnim czasie uproszczono układ...
-
Plant-Based Antioxidants in Gluten-Free Bread Production: Sources, Technological and Sensory Aspects, Enhancing Strategies and Constraints
Publication -
Koi Herpes Virus: Do Acipenserid Restitution Programs Pose a Threat to Carp Farms in the Disease-Free Zones?
Publication -
Interferon‐free therapy as the cause of white matter tracts and cerebral perfusion recovery in patients with chronic hepatitis C
Publication -
Epoxydibenzo[b,f][1,5]diazocines: From a Hidden Structural Motif to an Efficient Solvent-Free Synthetic Protocol
Publication -
Co-free triple perovskite La1.5Ba1.5Cu3O7±δ as a promising air electrode material for solid oxide fuel cells
Publication -
Cu-Content La1−XSrxNi1−YCuyO3−Δ Perovskites As Cobalt-Free Cathode Materials for High-Performance It-SOFCs
Publication -
Fast, solvent-free synthesis of ferrocene-containing organic cages via dynamic covalent chemistry in the solid state
Publication -
Photocatalytic hydrogen evolution by co-catalyst-free TiO2/C bulk heterostructures synthesized under mild conditions
Publication -
Fast Calibration-Free Single-Anchor Indoor Localization Based on Limited Number of ESPAR Antenna Radiation Patterns
Publication— In this article, we investigate how the calibrationfree single-anchor indoor localization algorithm developed for base stations equipped with electronically steerable parasitic array radiator (ESPAR) antennas can further be improved. By reducing the total number of ESPAR antenna radiation patterns used in localization process, one can significantly reduce the time needed for an object localization. Performed localization measurements...
-
Label-free testing strategy to evaluate packed red blood cell quality before transfusion to leukemia patients
Publication -
Cadmium and lead content in gluten and gluten-free bread available on the Polish market – potential health risk to consumers
Publication -
Free-standing TiO2 nanotubes decorated with spherical nickel nanoparticles as a cost-efficient electrocatalyst for oxygen evolution reaction
PublicationHere, we report significant activity towards the oxygen evolution reaction (OER) of spherical nickel nanoparticles (NPs) electrodeposited onto free-standing TiO2 nanotubes (TNT) via cyclic voltammetry. It has been shown that simple manipulation of processing parameters, including scan rate and number of cycles, allows for formation of the NPs in various diameters and amounts. The polarization data with respect to transmission electron...
-
The use of thermal imaging camera to estimate velocity profiles based on temperature distribution in a free convection boundary layer
PublicationThis work describes an attempt to assess whether the temperature field from a thermal imaging camera can be converted into a velocity field with an accuracy sufficient for qualitative conducting or describing the phenomenon, i.e. when the Navier-Stokes, Fourier-Kirchhoff and continuity equations are mutually coupled. The consequence of this link between temperature fields and velocity is the possibility to formulate the hypothesis...
-
Chromatographic analyses of Lavandula angustifolia and Rosmarinus officinalis extracts and their biological effects in mammalian cells and cell-free systems
PublicationKnowledge of biological properties of natural compounds allows to understand their therapeutic value, efficacy and security. We investigated: composition of Lavandula angustifolia (LA) and Rosmarinus officinalis (RO) extracts, their antioxidant capacity, cytotoxicity and genotoxicity, their DNA-protective potential against DNA damage induced in hamster V79 cells by several genotoxins or in plasmid DNA by Fe2+ ions and activity...
-
Inhibition effect of free ammonia on deammonification process under different intermittent aeration strategies in sequencing batch reactor
PublicationThe deammonification process involves two steps. The first step is the partial nitrification of ammonia (NH4-N) by ammonia oxidizing bacteria (AOB) to produce nitrite (NO2-N) and the second step is the anammox process to “anaerobically” oxidize ammonia to nitrogen gas with nitrite as an electron acceptor (Lackner et al., 2014). Free ammonia (FA) plays a significant role in the stable, long-term deammonification system operation....
-
Theoretical consideration of free convective heat transfer from a round isothermal plate slightly inclined from the vertical
PublicationA semi-analytical solution of simplified Navier-Stokes and Fourier-Kirchhoff equations describing free convective heat transfer from a round isothermal surface slightly inclined from the vertical is presented. The solution is based on the assumption, typical for natural convection, that the velocity component normal to the surface is negligibly small in comparison to the tangential one. Next we neglect the nonlinear inertia force...
-
Hydrogen migration in formation of NH(A3Π) radicals via superexcited states in photodissociation of isoxazole molecules
PublicationFormation of the excited NH(A 3Π) free radicals in the photodissociation of isoxazole (C3H3NO) molecules has been studied over the 14-22 eV energy range using photon-induced fluorescence spectroscopy. The NH(A 3Π) is produced through excitation of the isoxazole molecules into higher-lying superexcited states. Observation of the NH radical, which is not a structural unit of the isoxazole molecule, corroborates the hydrogen atom...
-
Formation of CN (B2∑+) radicals in the vacuum-ultraviolet photodissociation of pyridine and pyrimidine molecules
PublicationFormation of the excited CN(B2∑+) free radicals in the photodissociation of pyridine (C5H5N) and pyrimidine (C4H4N2) molecules was investigated over the energy ranges 16–27 and 14.7–25 eV, respectively. Photon-induced fluorescence spectroscopy was applied to detect the vibrationally and rotationally excited CN radicals by recording the B2∑+→X2∑+ emission bands (violet system). The measured dissociation yield curves demonstrate...
-
Elimination and migration of hydrogen in the vacuum-ultraviolet photodissociation of pyridine molecules
PublicationElimination of the excited hydrogen atoms H(n), n = 4–7, and hydrogen migration in formation of the excited NH(A 3Π) free radicals in the photodissociation of pyridine, C5H5N, molecules have been studied over the 17.5–70 eV photon energy range. In the measurements the photon-induced fluorescence spectroscopy technique has been applied. Both fragments are produced through excitation of pyridine molecules into higher-lying superexcited...
-
Antibiotic resistance, virulence, and phylogenetic analysis of Escherichia coli strains isolated from free-living birds in human habitats
PublicationWild birds can be colonized by bacteria, which are often resistant to antibiotics and have various virulence profiles. The aim of this study was to analyze antibiotic resistance mechanisms and virulence profiles in relation to the phylogenetic group of E. coli strains that were isolated from the GI tract of wildfowl. Out of 241 faecal samples, presence of E. coli resistant to a cephalosporin (ESBL/AmpC) was estimated for 33 isolates...
-
Tailoring properties of indium tin oxide thin films for their work in both electrochemical and optical label-free sensing systems
PublicationThis work is devoted to the identification properties of indium tin oxide (ITO) thin films responsible for their possible application in combined optical and electrochemical label-free sensing systems offering enhanced functionalities. Since any post-processing would make it difficult to identify direct relation between deposition parameters and properties of the ITO films, especially when deposition on temperature-sensitive substrates...
-
The type of blood used to feed Aedes aegypti females affects their cuticular and internal free fatty acid (FFA) profiles
Publication -
<title>Measurements of SIMCON 3.1 LLRF control signal processing quality for VUV free-electron laser FLASH</title>
Publication -
<title>Cavity simulator and controller for VUV free electron laser SIMCON 2.1, part II: functional blocks</title>
Publication -
<title>SIMCON 3.0 eight channel FPGA-based cavity simulator and controller for VUV free-electron laser</title>
Publication -
Colonization of germ-free mice with a mixture of three lactobacillus strains enhances the integrity of gut mucosa and ameliorates allergic sensitization
Publication -
Administration of Inulin-Supplemented Gluten-Free Diet Modified Calcium Absorption and Caecal Microbiota in Rats in a Calcium-Dependent Manner
Publication -
Application of Broccoli Leaf Powder in Gluten-Free Bread: An Innovative Approach to Improve Its Bioactive Potential and Technological Quality
Publication -
Visual and brainstem auditory evoked potentials in HCV-infected patients before and after interferon-free therapy — A pilot study
Publication -
The Metal-Free Regioselective Deuteration of 2-Methylquinolin-8-ol and 2,5-Dimethylquinolin-8-ol, Spectroscopic and Computational Studies
PublicationAbstract: Aim and Background: Introducing deuterium to a molecule is of interest to a wide variety of research, including investigation of reaction mechanisms or kinetics, analysis of drug metabolism, structural elucidation of molecules, and syntheses of isotopically labeled materials used for NMR spectroscopy and medicinal research. Objective: The transition-metal-free regioselective deuteration of 2-methylquinolin-8-ol...
-
Flexible Films as Anode Materials Based on rGO and TiO2/MnO2 in Li-Ion Batteries Free of Non-Active Agents
Publication -
Effects of Flywheel vs. Free-Weight Squats and Split Squats on Jumping Performance and Change of Direction Speed in Soccer Players
Publication -
Boosting Portland cement-free composite performance via alkali-activation and reinforcement with pre-treated functionalised wheat straw
Publication -
Multisine impedimetric probing of biocatalytic reactions for label-free detection of DEFB1 gene: How to verify that your dog is not human?
PublicationAlbert is a dog (Canis familiaris), but he does not realize this. Albert loves human food (and beer), watching movies on the internet, sleeping in bed, and more. But he should not do all these things. To convince him that, we have desinged a test procedure. The DEFB1 gene is unique to human species. Detecting its presence from saliva and in short periods may offer an advantage in the field of forensic medicine, and influence Albert’s...
-
Plasma free amino acid profiling as metabolomic diagnostic and prognostic biomarker in paediatric cancer patients: a follow‑up study
PublicationAmino acids (AAs) play a crucial role in cancer cell metabolism. Levels of 22 plasma AAs at the time of diagnosis and after treatment were established among 39 pediatric cancer patients and 33 healthy children. Glutamic acid levels decreased and tryptophan levels increased during treatment. Cancer patients presented significantly lower levels of glutamine and leucine post-treatment while levels of 12 other AAs were higher comparing...
-
Short-range order structure and free volume distribution in liquid bismuth: X-ray diffraction and computer simulations studies
PublicationThe structure of liquid bismuth was studied by X-ray diffraction and computer simulation methods. The contraction of the atomic structure within the first coordination sphere in the temperature interval of 575- 1225 K is reported. The temperature dependencies of the coordination numbers and of the free volume are analysed. On the basis of the temperature dependencies of the free volume, the temperature dependencies of viscosity...
-
Prioritising national healthcare service issues from free text feedback – A computational text analysis & predictive modelling approach
PublicationPatient experience surveys have become a key source of evidence for supporting decision-making and continuous quality improvement within healthcare services. To harness free-text feedback collected as part of these surveys for additional insights, text analytics methods are increasingly employed when the data collected is not amenable to traditional qualitative analysis due to volume. However, while text analytics techniques offer...
-
Effect of free water on the quasi‑static compression behavior of partially‑saturated concrete with a fully coupled DEM/CFD approach.
PublicationThe work aims to numerically investigate the quasi-static response of partially fluid-saturated concrete under two-dimensional uniaxial compression at the mesoscale. We investigated how the impact of free pore fluid content (water and gas) affected the quasi-static strength of concrete. The totally and partially fluid-saturated concrete behavior was simulated using an improved pore-scale hydro-mechanical model based on DEM/CFD....
-
Geminate-pair dissociation yield in systems with exponential energetic disorder — A Monte Carlo study
PublicationGeminate electron–hole recombination in systems with exponential energetic disorder is studied by Monte Carlo method. The field and temperature dependencies of geminate-pair dissociation probability are calculated. It is established that the dissociation yield of carrier pairs depends mainly on the extent of carrier thermalization, which influences the Einstein relationship. The approximate limiting temperature is given by Te =...
-
Stability and phase transition investigation of olanzapine polymorphs
PublicationWe use electrical embedded-fragment QM method with both DFT/ωB97XD/6-31G* and MP2/6-31G* to investigate the phase transformations of olanzapine. Gibbs free energy calculations predict that form I is always the most stable structure and form II is the least stable one, while form IV is more stable than form III below about 200 K but less stable above this temperature, implying a polymorphic phase transformation. This may account...
-
Molecular dynamics simulations reveal the balance of forces governing the formation of a guanine tetrad—a common structural unit of G-quadruplex DNA
PublicationG-quadruplexes (G4) are nucleic acid conformations of guanine-rich sequences, in which guanines are arranged in the square-planar G-tetrads, stacked on one another. G4 motifs form in vivo and are implicated in regulation of such processes as gene expression and chromosome maintenance. The structure and stability of various G4 topologies were determined experimentally; however, the driving forces for their formation are not fully...
-
Membrane Sterols Modulate the Binding Mode of Amphotericin B without Affecting Its Affinity for a Lipid Bilayer
PublicationMembrane-active antibiotics are known to selectively target certain pathogens based on cell membrane properties, such as fluidity, lipid ordering, and phase behavior. These are in turn modulated by the composition of a lipid bilayer and in particular by the presence and type of membrane sterols. Amphotericin B (AmB), the golden standard of antifungal treatment, exhibits higher activity toward ergosterol-rich fungal membranes, which...
-
Molecular Recognition in Complexes of TRF Proteins with Telomeric DNA
PublicationTelomeres are specialized nucleoprotein assemblies that protect the ends of linear chromosomes. In humans and many other species, telomeres consist of tandem TTAGGG repeats bound by a protein complex known as shelterin that remodels telomeric DNA into a protective loop structure and regulates telomere homeostasis. Shelterin recognizes telomeric repeats through its two major components known as Telomere Repeat-Binding Factors, TRF1...
-
Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field
PublicationThe physics-based united-residue (UNRES) model of proteins ( www.unres.pl ) has been designed to carry out large-scale simulations of protein folding. The force field has been derived and parameterized based on the principles of statistical-mechanics, which makes it independent of structural databases and applicable to treat nonstandard situations such as, proteins that contain D-amino-acid residues. Powered by Langevin dynamics...
-
Programmed metalloporphyrins for self-assembly within light-harvesting stacks: 5,15-dicyano-10,20-bis(3,5-di-tert-butylphenyl)-porphyrinato zinc(II) and its push-pull 15-N,N-dialkylamino-5-cyano congeners obtained by a facile direct amination.
PublicationThe title dicyano compound was synthesized via cyanation and it self-assembles in nonpolar solvents giving red-shifted and broad absorption maxima just as the bacteriochlorophylls which are encountered in the light-harvesting organelles of early photosynthetic bacteria. In the crystal, stacks are formed through a hierarchic combination of π-stacking and a CNZn electrostatic interaction. Push−pull 15-N,N-dialkylamino-5-cyano congeners...
-
3D Sound Intensity Measurement Around Organ Pipes Using Acoustic Vector Sensors
PublicationThe aim of the presented paper was to obtain and visualize sound intensity distribution of radiated acoustic energy around the organ pipes. The experimental setup consisted of the multichannel acoustic vector sensor and the specialized Cartesian robot. Measurements were performed in free field with spatial resolution of 0.1 [m]. Two organ pipes, i.e. wooden and metal were measured during the ex-periment. The organ pipes were activated...