Search
Filters
total: 1103
displaying 1000 best results Help
Search results for: quantum temporal correlations
-
Design and experimental investigations of a cylindrical microjet heat exchanger for waste heat recovery systems
PublicationCompact heat exchangers have more and more applications in many areas, including the HVAC, food and petrochemical industry. This paper describes the development of heat exchanger technology for waste heat recovery (WHR) from a range of processes. Case-study testing shows that the proposed heat exchanger can successfully enhance heat transfer and recover waste heat in a range of applications making them economically, environmentally and...
-
Application of Feed Forward Neural Networks for Modeling of Heat Transfer Coefficient During Flow Condensation for Low and High Values of Saturation Temperatur
PublicationMost of the literature models for condensation heat transfer prediction are based on specific experimental parameters and are not general in nature for applications to fluids and non-experimental thermodynamic conditions. Nearly all correlations are created to predict data in normal HVAC conditions below 40°C. High temperature heat pumps operate at much higher parameters. This paper aims to create a general model for the calculation...
-
A systematic review on cellular responses of Escherichia coli to nonthermal electromagnetic irradiation
PublicationInvestigation of Escherichia coli under electromagnetic fields is of significance in human studies owing to its short doubling time and human‐like DNA mechanisms. The present review aims to systematically evaluate the literature to conclude causality between 0 and 300 GHz electromagnetic fields and biological effects in E. coli. To that end, the OHAT methodology and risk of bias tool were employed. Exponentially growing cells exposed...
-
Sustainable upcycling of brewers’ spent grain by thermo-mechanical treatment in twin-screw extruder
PublicationThermo-mechanical treatment of brewers’ spent grain (a by-product of beer manufacturing) was successfully performed via the extrusion process. The impact of temperature (from 30 to 180 °C), throughput (from 1 to 5 kg/h) and screw speed (from 75 to 375 rpm) on particle size, color, chemical structure, antioxidant activity and thermal stability of resulting material, as well as correlations between particular properties, were investigated....
-
Size-Controlled Synthesis of Pt Particles on TiO2 Surface: Physicochemical Characteristic and Photocatalytic Activity
PublicationDifferent TiO2 photocatalysts, i.e., commercial samples (ST‐01 and P25 with minority of rutile phase), nanotubes, well‐crystallized faceted particles of decahedral shape and mesoporous spheres, were used as supports for deposition of Pt nanoparticles (NPs). Size‐controlled Pt NPs embedded in TiO2 were successfully prepared by microemulsion and wet‐impregnation methods. Obtained photocatalysts were characterized using XRD, TEM,...
-
Natural convective heat transfer from isothermal cuboids
PublicationThe paper presents results of theoretical and experimental investigations of the convective heat transfer from isothermal cuboid. The analytical solution was performed taking into account complete boundary layer length and the manner of its propagation around isothermal cuboid. It arises at horizontal bottom surface and grows on vertical lateral surface of the block. After changing its direction, the boundary layer occurs above...
-
Improved Efficacy Behavioral Modeling of Microwave Circuits through Dimensionality Reduction and Fast Global Sensitivity Analysis
PublicationBehavioral models have garnered significant interest in the realm of high-frequency electronics. Their primary function is to substitute costly computational tools, notably electromagnetic (EM) analysis, for repetitive evaluations of the structure under consideration. These evaluations are often necessary for tasks like parameter tuning, statistical analysis, or multi-criterial design. However, constructing reliable surrogate models...
-
COMPREHENSIVE MONITORING OF CHANGES IN THE GEOMETRIC STRUCTURE OF A HISTORIC BUILDING THE "SALA BHP" IN GDAŃSK
PublicationThe article presents selected results of the analysis of the comprehensive monitoring of the historical building of the “Sala BHP” in Gdansk. The necessity of monitoring was caused by scratches on its structural and finishing elements that occurred in the previous period. A preliminarily assumed factor that could cause the expansion of existing damages and the possible formation of new ones was the planned implementation of...
-
Redundantly Actuated 3RRR Parallel Planar Manipulator - Numerical Analyses of its Dynamics Sensitivity on Modifications of its Platform’s Inertia Parameters
PublicationIn the paper, numerical analyses, as well as dynamics of a complex mechanism, are presented. Two objectives are crucial for the paper: inverse dynamic model is needed (dedicated to be use in the model predictive controller); an identification method is searched (some trajectory parameters are controlled, when specific trajectory is tracked under an open-loop model-based control), as selected parameters must be identified for the...
-
Adipokine and cytokine levels in non-functioning adrenal incidentalomas (NFAI)
PublicationDue to the fact that overweight or obesity is accompanied by hormonally active adrenal tumors: Cushing Syndrome-(CS) and Subclinical Cushing Syndrome (SCS), it is of high interest the correlation between different adipokines and cytokines secreted by adipose tissue, with metabolic disorders and hormonal activity in this group. Even in non-functioning adrenal incidentalomas (NFAI) elevated risk for cardiovascular disease and metabolic...
-
Comparison of simplified sum-over-state expressions to calculate resonance Raman intensities including Franck-Condon and Herzberg-Teller effects
PublicationSum-over-state (SOS) expressions to simulate absorption spectroscopy and resonance Raman (RR) scattering including Franck-Condon (FC) and Herzberg-Teller (HT) effects are described. Starting from the general SOS method, several simplified SOS formulae are derived. In particular, within the so-called independent mode displaced harmonic oscillator model, it is shown that including the vibronic structure in the absorption and RR spectra...
-
Effect of copper and silver modification of NH2-MIL-125(Ti) on the photoreduction of carbon dioxide to formic acid over this framework under visible-light irradiation
PublicationCu and Ag enhance the photocatalytic activities of metal–organic frameworks (MOFs) toward CO2 conversion because of their CO2 adsorption capacities and effects on the lowest unoccupied molecular orbital (LUMO) overpotentials of MOFs. However, to date, targeted introduction of metals into MOFs to achieve visible (Vis)- light-active photocatalysts for CO2 photoconversion has not been realized. Herein, a series of aminefunctionalized...
-
Visible-light-driven lanthanide-organic-frameworks modified TiO2 photocatalysts utilizing up-conversion effect
PublicationHighly efficient and quite stable composite with core-shell-like architecture reported herein, responds to the challenge of sunlight-driven photocatalysts. The Ln(ndc)/TiO2 photocatalytic system comprises active lanthanide-carboxylate coordination networks (Nd, Er, Ho, and Tm as metal ions, and 2,6-naphthalene dicar-boxylic acid as the organic linker) and inert titanium dioxide and allow to convert incompatible visible radiation...
-
Soft X-ray Induced Production of Neutral Fragments in High-Rydberg States at the O 1s Ionization Threshold of the Water Molecule
PublicationDissociation of water molecules after soft X-ray absorption can yield neutral fragments in high-Rydberg (HR) states. We have studied the production of such fragments by field ionization and ion time-of-flight (TOF) spectrometry. Neutral HR fragments are created at all resonances below the O 1s ionization potential (IP) and particularly within 1 eV above the O 1s IP. The latter effect is due to the recapture of the O 1s photoelectrons...
-
The Role of Electrostatics in Enzymes: Do Biomolecular Force Fields Reflect Protein Electric Fields?
PublicationPreorganization of large, directionally oriented, electric fields inside protein active sites has been proposed as a crucial contributor to catalytic mechanism in many enzymes, and it may be efficiently investigated at the atomistic level with molecular dynamics simulations. Here, we evaluate the ability of the AMOEBA polarizable force field, as well as the additive Amber ff14SB and Charmm C36m models, to describe the electric...
-
Why Are Left-Handed G-Quadruplexes Scarce?
PublicationG-quadruplexes (G4s) are nucleic acid structures crucial for the regulation of gene expression and genome maintenance. While they hold promise as nanodevice components, achieving desired G4 folds requires understanding the interplay between stability and structural properties, like helicity. Although right-handed G4 structures dominate the experimental data, the molecular basis for this preference over left-handed helicity is unclear....
-
Theoretical and Experimental Studies on the Visible Light Activity of TiO2 Modified with Halide-Based Ionic Liquids
PublicationFormation of a surface complex between organic molecules and TiO2 is one of the possible strategies for the development of visible light-induced TiO2 photoactivity. Herein, three ionic liquids (ILs) with the same cation and dierent anions (1-butylpirydynium chloride/bromide/iodide) have been applied for the surface modification of TiO2 and to understand the role of anions in visible light-induced activity of ILs-TiO2 systems. Photocatalytic...
-
Distributed Representations Based on Geometric Algebra: the Continuous Model
PublicationAuthors revise the concept of a distributed representation of data as well as two previously developed models: Holographic Reduced Representation (HRR) and Binary Spatter Codes (BSC). A Geometric Analogue (GAc - ''c'' stands for continuous as opposed to its discrete version) of HRR is introduced - it employs role-filler binding based on geometric products. Atomic objects are real-valued vectors in n-dimensional Euclidean space...
-
Mechanism of reaction of RNA-dependent RNA polymerase from SARS-CoV-2
PublicationWe combine molecular dynamics, statistical mechanics, and hybrid quantum mechanics/molecular mechanics simulations to describe mechanistically the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) RNA-dependent RNA polymerase (RdRp). Our study analyzes the binding mode of both natural triphosphate substrates as well as remdesivir triphosphate (the active form of drug), which is bound preferentially over ATP by RdRp while...
-
Principles of target DNA cleavage and the role of Mg2+ in the catalysis of CRISPR–Cas9
PublicationAt the core of the CRISPR–Cas9 genome-editing technology, the endonuclease Cas9 introduces site-specific breaks in DNA. However, precise mechanistic information to ameliorate Cas9 function is still missing. Here, multimicrosecond molecular dynamics, free energy and multiscale simulations are combined with solution NMR and DNA cleavage experiments to resolve the catalytic mechanism of target DNA cleavage. We show that the conformation...
-
Visible light photocatalytic activity of ionic liquid-TiO2 spheres: effect of the ionic liquid's anion structure
PublicationThe effect of the ionic liquid’s (IL) anion type ([BIMIM][X], where X= [Br], [PF6] or [OctSO4]) and content on the morphology, surface properties and photoactivity of TiO2 obtained by solvothermal method has been systematically investigated. Our results revealed that the presence of [Br], [OctSO4] anions favors formation of anatase phase, while presence of [PF6] anion causes formation of mixture of anatase and Ti(OH)PO4 phases....
-
Orbital blowout trauma occurring at the workplace – clinical, biomechanical and legal aspects
PublicationIntroduction and objective: Craniofacial injury at the workplace may lead to orbital blowout fractures. The aim of the study is the development of own numerical model of the eye orbit, assessment of the damage zones, and comparing them with clinical examinations. In addition, the current legal status of patients after injuries is presented Material and methods: In laboratory tests performed on bones collected from the upper and...
-
Hydrophobic and hydrophilic properties of pollutants as a factor influencing their redistribution during snowpack melt
PublicationGlaciers accumulate organic pollutants delivered by snow. However, our understanding of the exact dynamics of organic pollutants in the snowpack relies primarily on laboratory experiments and mathematical models. To fill the gap related to the detailed field data, we have conducted observations of melting snow profiles in two locations and three different stages of melting on one High Arctic glacier, as well as in superimposed...
-
Mechanochemical Energy Transduction during the Main Rotary Step in the Synthesis Cycle of F1-ATPase
PublicationF1-ATPase is a highly efficient molecular motor that can synthesize ATP driven by a mechanical torque. Its ability to function reversibly in either direction requires tight mechanochemical coupling between the catalytic domain and the rotating central shaft, as well as temporal control of substrate binding and product release. Despite great efforts and significant progress, the molecular details of this synchronized and fine-tuned...
-
METHODS OF TEACHING SPATIAL AND URBAN PLANNING AT GEODESY AND CARTOGRAPHY
PublicationSpatial and town planning is a complex process caused by the interaction between natural and social systems at different temporal and spatial scales. That is the reason, why it is difficult to introduce this subject to students studying disciplines other than spatial or urban planning. The main problem is to define goals, the scope and expected educational effects. The second step is to choose the appropriate teaching and assessment...
-
Error analysis for European IGS stations
PublicationEach of the GPS time series that describes the changes of topocentric components consists of a deterministic and a stochastic part, whose character influences the errors of the deterministic parameters. As to the uncertainties of reliable velocities of permanent satellite station systems, surveys that estimate and take into account any dependencies that may affect subsequent operational efficiency are very important. For this analysis,...
-
Web-based real-time simulation system
PublicationThe paper presents the development of a simulation system composed of a real-time plant simulator with real-time controller included in the software-in-the-loop structure using web-based communication. The client-server architecture build in a TCP/IP network environment was introduced, where the server is a computing unit for real-time high temporal resolution plant simulation (and optionally also as controllers' platform) and...
-
Visually validated semi-automatic high-frequency oscillation detection aides the delineation of epileptogenic regions during intra-operative electrocorticography
PublicationOBJECTIVE: To test the utility of a novel semi-automated method for detecting, validating, and quantifying high-frequency oscillations (HFOs): ripples (80-200 Hz) and fast ripples (200-600 Hz) in intra-operative electrocorticography (ECoG) recordings. METHODS: Sixteen adult patients with temporal lobe epilepsy (TLE) had intra-operative ECoG recordings at the time of resection. The computer-annotated ECoG recordings were visually...
-
Simulations of freshwater lens recharge and salt/freshwater interfaces using the HYDRUS and SWI2 packages for MODFLOW
PublicationThe paper presents an evaluation of the combined use of the HYDRUS and SWI2 packages for MODFLOW as a potential tool for modeling recharge in coastal aquife rs subject to saltwater intrusion. The HYDRUS package for MODFLOW solves numerically the one-dimensional form of the Richards equation describing water flow in variably- saturated media. The code computes groundwater recharge to or...
-
Methodology for Carrying Out Measurements of the Tombolo Geomorphic Landform Using Unmanned Aerial and Surface Vehicles near Sopot Pier, Poland
PublicationThe human impact on the ecosystem has been particularly evident in the last century; it transforms the Earth’s surface on an unprecedented scale and brings about irreversible changes. One example is an oceanographic phenomenon known as a tombolo, i.e., a narrow belt connecting the mainland with an island lying near the shore formed as a result of sand and gravel being deposited by sea currents. The phenomenon contributes to an...
-
Theory versus experiment for vacuum Rabi oscillations in lossy cavities. II. Direct test of uniqueness of vacuum
PublicationThe paper continues the analysis of vacuum Rabi oscillations we started in part I [Phys. Rev. A 79, 033836 (2009)]. Here we concentrate on experimental consequences for cavity QED of two different classes of representations of harmonic-oscillator Lie algebras. The zero-temperature master equation, derived in part I for irreducible representations of the algebra, is reformulated in a reducible representation that models electromagnetic...
-
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,...
-
Lead-free bismuth-based perovskites coupled with g–C3N4: A machine learning based novel approach for visible light induced degradation of pollutants
PublicationThe use of metal halide perovskites in photocatalytic processes has been attempted because of their unique optical properties. In this work, for the first time, Pb-free Bi-based perovskites of the Cs3Bi2X9 type (X = Cl, Br, I, Cl/Br, Cl/I, Br/I) were synthesized and subjected to comprehensive morphological, structural, and surface analyses, and photocatalytic properties in the phenol degradation reaction were examined. Furthermore,...
-
Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air
PublicationPartition coefficients define how a solute is distributed between two immiscible phases at equilibrium. The experimental estimation of partition coefficients in a complex system can be an expensive, difficult, and time-consuming process. Here a computational strategy to predict the distributions of a set of solutes in two relevant phase equilibria is presented. The octanol/water and octanol/air partition coefficients are predicted...
-
Electromodulation of monomer and excimer phosphorescence in vacuum-evaporated films of platinum (II) complexes of 1,3-di(2-pyridyl)benzenes
PublicationElectric field-modulated photoluminescence (EML) measurements are presented for vacuum-evaporated films of cyclometallated Pt (II) complexes of 1,3-di(2-pyridyl) benzenes used as triplet emitters in organic light-emitting diodes (OLEDs). The excimer phosphorescence is quenched by the external electric field of 2.5 MV/cm up to 25% but the same effect on monomer phosphorescence is one order of magnitude smaller. The higher quenching...
-
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....
-
Non-Perfect Propagation of Information to a Noisy Environment with Self-Evolution
PublicationWe study the non-perfect propagation of information for evolving a low-dimensional environment that includes self-evolution as well as noisy initial states and analyse the interrelations between the degree of objectivization and environment parameters. In particular, we consider an analytical model of three interacting qubits and derive its objectivity parameters. The numerical analysis shows that the quality of the spectrum broadcast...
-
Photophysical processes in the selected white organic light-emitting diodes
PublicationThe first part discusses history of organic emitters, the scope of the work, phenomena in molecular systems, types of architectures in OLEDs, types of OLEDs emitting white light with examples from the literaturę and a description of the parameters chcracterizing LEDs. The second part describes materials, production of the samples, the measurement systems and results. In chapter 8.1 the results for the OLEDs based on emission from...
-
Flow Maps and Flow Patterns of R1233zd(E) in a Circular Minichannel at Low, Medium and High Values of Saturation Pressure
PublicationThere is a gap in knowledge regarding the flow pattern of low-boiling working fluids in the range of high saturation temperatures (above 120°C) and medium and high reduced pressures (0.5-0.9). Data are present in the literature for similar values of reduced pressures, but for lower values of saturation temperature. This is due to the existing refrigeration applications of these working fluids. At high values of reduced pressure,...
-
Probabilistic seismic assessment of RC box-girder highway bridges with unequal-height piers subjected to earthquake-induced pounding
PublicationThis paper uses the probabilistic seismic assessment to study the effects of pounding and irregularity on the seismic behavior of typical concrete box-girder bridges with four levels of altitudinal irregularity. To extend the results for all bridges in the same class, uncertainty related to the earthquake, structural geometries, and materials are considered. Pounding is likely to take place in two cases: the first one concerns...
-
Discrimination of hospital isolates of Acinetobacter baumannii using repeated sequences and whole genome alignment differential analysis
PublicationAn optimized method for bacterial strain differentiation, based on combination of Repeated Sequences and Whole Genome Alignment Differential Analysis (RS&WGADA), is presented in this report. In this analysis, 51 Acinetobacter baumannii multidrug-resistance strains from one hospital environment and patients from 14 hospital wards were classified on the basis of polymorphisms of repeated sequences located in CRISPR region, variation...
-
Assessment of Failure Occurrence Rate for Concrete Machine Foundations Used in Gas and Oil Industry by Machine Learning
PublicationConcrete machine foundations are structures that transfer loads from machines in operation to the ground. The design of such foundations requires a careful analysis of the static and dynamic effects caused by machine exploitation. There are also other substantial differences between ordinary concrete foundations and machine foundations, of which the main one is that machine foundations are separated from the building structure....
-
Field Evaluation of High Modulus Asphalt Concrete Resistance to Low-Temperature Cracking
PublicationHigh-modulus asphalt concrete has numerous advantages in comparison to conventional asphalt concrete, including increased resistance to permanent deformations and increased pavement fatigue life. However, previous studies have shown that the construction of road pavements with High Modulus Asphalt Concrete (HMAC) may significantly increase the risk of low-temperature cracking. Those observations were the motivation for the research...
-
Comprehensive evaluation of the carbon footprint components of wastewater treatment plants located in the Baltic Sea region
PublicationFinland and Poland share similar environmental interests with regard to their wastewater effluents eventually being discharged to the Baltic Sea. However, differences in the influent wastewater characteristics, treatment processes, operational conditions, and carbon intensities of energy mixes in both countries make these two countries interesting for carbon footprint (CF) comparison. This study aimed at proposing a functional...
-
Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment
PublicationThe UNited RESidue (UNRES) force field was tested in the 14th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP14), in which larger oligomeric and multimeric targets were present compared to previous editions. Three prediction modes were tested (i) ab initio (the UNRES group), (ii) contact-assisted (the UNRES- contact group), and (iii) template-assisted (the UNRES-template...
-
Impact of selected parameters of the fermentation process of wine and wine itself on the biogenic amines content: Evaluation by application of chemometric tools
PublicationThe demand for safer foods has promoted more research into biogenic amines (BAs) over the past few years, however, there are still some questions that remain unanswered. Despite the fact that BAs are present in wine and can cause toxic effect to the body, a shared regulation limiting the amounts of BAs in wine is still lacking. A detailed understanding of their presence in wine is also important for the food trade sector. Therefore,...
-
Unusual Influence of Fluorinated Anions on the Stretching Vibrations of Liquid Water
PublicationInfrared (IR) spectroscopy is a commonly used and invaluable tool in the studies of solvation phenomena in aqueous solutions. Concurrently, ab initio molecular dynamics (AIMD) simulations deliver the solvation shell picture at a molecular detail level and allow for a consistent decomposition of the theoretical IR spectrum into underlying spatial correlations. Here, we demonstrate how the novel spectral decomposition techniques...
-
Identification of Shift in Sowing and Harvesting Dates of Rice Crop (L. Oryza sativa) through Remote Sensing Techniques: A Case Study of Larkana District
PublicationThe present study aimed to determine the impact of climate variability on rice crops in terms of sowing and harvesting dates and crop period. The identification of sowing and harvesting dates were spotted by mask identification, variations in land surface temperature (LST) on a temporal scale in the respective months, and a field-level social inquiry. The study was conducted during a time period (1994–2017), in which geo-referenced...
-
Understanding the Ukrainian Migrants Challenges in the EU: A Topic Modeling Approach
PublicationConfronted with the aggression against Ukraine in 2022, Europe faces one of the most important humanitarian challenges - the migration of war refugees from Ukraine, most of them women with children and the elderly. Both international institutions such as the European Union and the United Nations, but also national governments and, above all, local governments, which are the main providers of services and resources for refugees,...
-
Sensitive Demonstration of the Twin-Core Couplers including Kerr Law Non-Linearity via Beta Derivative Evolution
PublicationTo obtain new solitary wave solutions for non-linear directional couplers using optical meta-materials, a new extended direct algebraic technique (EDAT) is used. This model investigates solitary wave propagation inside a fiber. As a result, twin couplers are the subject of this study. Kerr law is the sort of non-linearity addressed there. Because it offers solutions to problems with large tails or infinite fluctuations, the resulting...