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Influence of Osmolytes on Protein and Water Structure: A Step To Understanding the Mechanism of Protein Stabilization
PublikacjaResults concerning the thermostability of hen egg white lysozyme in aqueous solutions with stabilizing osmolytes, trimethylamine-N-oxide (TMAO), glycine (Gly), and its N-methyl derivatives, N-methylglycine (NMG), N,N-dimethylglycine (DMG), and N,N,N-trimethylglycine (betaine, TMG), have been presented. The combination of spectroscopic (IR) and calorimetric (DSC) data allowed us to establish a link between osmolytes’ influence on...
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Synthesis of functionalized new conjugates of batracylin with tuftsin/ retro-tuftsin derivatives and their biological evaluation
PublikacjaNew batracylin conjugates with tuftsin/retro-tuftsin derivatives were designed and synthesized using T3P as a coupling agent. The conjugates possess an amide bond formed between the carboxyl group of heterocyclic molecule and the N-termini of the tuftsin/retro-tuftsin chain. The in vitro cytotoxic activity of the new analogues and their precursors was evaluated using a series of human and murine tumor cells. BAT conjugates containing...
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Drop-coating deposition surface-enhanced Raman spectroscopy on silver substrates for biofluid analysis
PublikacjaUtilization of surface-enhanced Raman spectroscopy as a measurement technique is of particular interest in biodetection due to its superb chemical specificity and high sensitivity. The use of SERS substrates further improve this method by massive enhancement of the molecule Raman spectrum, permitting very low levels of detection. Therefore it is important to seek for new ways to develop reliable substrates, which are quickly and...
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Determinants of Directionality and Efficiency of the ATP Synthase Fo Motor at Atomic Resolution
PublikacjaFo subcomplex of ATP synthase is a membrane-embedded rotary motor that converts proton motive force into mechanical energy. Despite a rapid increase in the number of high-resolution structures, the mechanism of tight coupling between proton transport and motion of the rotary c-ring remains elusive. Here, using extensive all-atom free energy simulations, we show how the motor’s directionality naturally arises from the interplay...
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A procedure for the visualization of fingerprint traces on standard and thermal paper using the electron excitation energy of 1,8-diazafluoren-9- one aggregates in a polyvinylpyrrolidone polymer
PublikacjaThe scope of this study is a new procedure for visualizing dactyloscopic traces on an absorbent surface using a solution based on aggregates of 1,8-diazafluoren-9-one (DFO) in a polyvinylpyrrolidone polymer (PVP). An absorbent surface is defined as a plain or thermal paper, which is considered to be a difficult surface due to its varying chemical composition. In the case of the thermal paper surface, the procedure can be further...
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Discrete Green's function approach to disjoint domain simulations in 3D FDTD method
PublikacjaA discrete Green’s function (DGF) approach to couple 3D FDTD subdomains is developed. The total-field/scattered-field subdomains are simulated using the explicit FDTD method whilst interaction between them is computed as a convolution of the DGF with equivalent current sources measured over Huygens surfaces. In the developed method, the DGF waveforms are truncated using the Hann’s window. The error varies in the range -65 to -40...
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Numerical estimation of the pile toe and shaft unit resistances during the installation process in sands
PublikacjaNumerical simulations of a pile jacking were carried out. A Coupled Eulerian–Lagrangian (CEL) formulation was used to treat with large deformation problems. An Abaqus, a commercial Finite Element Method software suit, was used as a computing environment. The Mohr–Coulomb constitutive model was applied and the Coulomb model of friction was used to describe pile-soil interaction. Calculations were made for three different pile diameters....
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Dynamics of quantum entanglement
PublikacjaA model of discrete dynamics of entanglement of a bipartite quantum state is considered. It involves a global unitary dynamics of the system and periodic actions of local bistochastic or decaying channel. For initially pure states the decay of entanglement is accompanied by an increase of von Neumann entropy of the system. We observe and discuss revivals of entanglement due to unitary interaction of subsystems. For some mixed states...
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Modelowanie dynamiki odbieraka prądu pojazdu kolejowego do celów diagnostycznych
PublikacjaNiewłaściwa współpraca odbieraka prądu i sieci trakcyjnej, w trudnych warunkach lokalnych, może prowadzić do uszkodzenia sieci trakcyjnej i pantografu. W ramach rozwoju metod monitoringu i diagnostyki dla tych podsystemów, tworzone są nowe i dokładniejsze narzędzia symulacyjne, których zakres obejmuje modelowanie zarówno napowietrznej sieci trakcyjnej i pantografu, a także ich dynamicznego oddziaływania. Głównym celem jest dokładniejsza...
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Inwestycja w wino – ocena sommelierów, rocznik i liczba punktów dystrybucji a wycena
PublikacjaW opracowaniu wyznaczono za pomocą współczynników korelacji liniowej Pearsona siłę i kierunek oddziaływania pomiędzy: ceną wina a rocznikiem, ceną wina a oceną sommelierów oraz ceną wina a liczbą punktów dystrybucji. Analizie poddano 8 szczepów winnych z rejonu Bordeaux. Najsilniejszy związek odnotowano pomiędzy ceną wina a rocznikiem trunku. W artykule obliczono także wybrane statystyki opisowe dla ceny wina, oceny przyznawanej...
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Brygida Mielewska dr
OsobyBrygida Mielewska urodziła się 1 grudnia 1972 r. w Gdyni. Studia wyższe ukończyła w 1997 r. na Wydziale Matematyki, Fizyki i Informatyki Uniwersytetu Gdańskiego, uzyskując tytuł magistra fizyki. W latach 1997–2003 pracowała na stanowisku asystenta w Katedrze Fizyki Zjawisk Elektronowych na Wydziale Fizyki Technicznej i Matematyki Stosowanej Politechniki Gdańskiej. Pracę doktorską pisała pod kierunkiem prof. dr. hab. Mariusza Zubka,...
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HCI and the economics of user experience
PublikacjaRodział przezentuje możliwości rozwinięcia zakresu tradycyjnych badań HCI (Human-Computer Interaction) o zagadnienia ekonomiczne, związane z jakością usług on-line, postrzeganą przez użytkownika/klienta. Praca zawiera modele jakości usług on-line oparte na elementach marketingu relacji i na wykorzystaniu ekonomicznych determinant zachowań konsumenckich w usługach on-line. Rozdział prezentuje modele projektowania i rozwoju przykładowych...
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Methods of Tire Rolling Resistance Measurements
PublikacjaTire rolling resistance is one of the factors related to tire/road interaction that has important influence on road vehicles performance. Raising fuel price and increased concern related to the environmental changes result in growing interest in reduction of tire rolling resistance that influences fuel consumption, especially in free-flowing highway traffic with moderate speeds. There are several methods of tire rolling resistance measurements....
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The decay of quantum correlations between quantum dot spin qubits and the characteristics of its magnetic-field dependence
PublikacjaWe address the question of the role of quantum correlations beyond entanglement in the context of quantum magnetometry. We study the evolution of the rescaled variant of the geometric quantum discord of two electron-spin qubits interacting with an environment of nuclear spins via the hyperfine interaction. We have found that quantum correlations display a strong magnetic-field sensitivity which can be utilized for decoherence-driven...
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Antioxidant properties of ferrous flavanol mixtures
PublikacjaInteraction of metal, especially iron ions with flavanols is considered as an important feature of these compounds and is believed to contribute to their both antioxidant and prooxidant properties. The aim of this study was to examine how Fe2+ binding to form a 4:1 (flavanol:Fe2+) mixtures affects the antioxidant properties of flavanols. ABTS∗ scavenging, protection against fluorescence bleaching induced by AAPH and hypochlorite,...
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Evaluation of Face Detection Algorithms for the Bank Client Identity Verification
PublikacjaResults of investigation of face detection algorithms efficiency in the banking client visual verification system are presented. The video recordings were made in real conditions met in three bank operating outlets employing a miniature industrial USB camera. The aim of the experiments was to check the practical usability of the face detection method in the biometric bank client verification system. The main assumption was to provide...
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Open-Phase Fault Detection Method for Sensorless Five-Phase Induction Motor Drives with an Inverter Output Filter
PublikacjaThe paper presents the sensorless five-phase induction motor drive implementation with an inverter output filter with third harmonic injection. For the sensorless operation, the required observers are presented for the first and third harmonics with consideration of the inverter output filter. Moreover, the interaction of the observers and the control system is capable to handle a deactivation of one or two phases, which improves...
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Buckling analysis of a non-concentric double-walled carbon nanotube
PublikacjaOn the basis of a theoretical study, this research incorporates an eccentricity into a system of compressed double-walled carbon nanotubes (DWCNTs). In order to formulate the stability equations, a kinematic displacement with reference to the classical beam hypothesis is utilized. Furthermore, the influence of nanoscale size is taken into account with regard to the nonlocal approach of strain gradient and the van der Waals interaction...
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Potential changes in an electric field and electrolytic corrosion.
PublikacjaSources have been described of corrosively hazardous electric fields and methods of determination of the corrosion hazard to metal structures caused by electrolytic corrosion. Results of potential and impedance investigations in the field of stray currents flowing out of a tram traction and in the presence of a defined electric field of low frequency have been presented. Uncertainties have been indicated relating to the generally...
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Solid Phase Synthesis and Biological Activity of Tuftsin Conjugates
PublikacjaNew tuftsin/retro-tuftsin conjugates were designed and synthesized using a classical fluorenylmethoxycarbonyl (Fmoc) solid phase procedure. All the peptide conjugates were divided into three series: 1,4-dihydroxyanthraquinone (type A), 1-nitroacridine (type B), and 4-carboxyacridone (type C) derivatives. In type A conjugates, the N-terminal group of the peptide chain is directly connected to the anthraquinone ring at C1 (Scheme...
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Progress in targeting tumor cells by using drug-magnetic nanoparticles conjugate.
PublikacjaTo limit the cytotoxicity of anticancer drugs against healthy cells, an appropriate carrier should be synthesized to deliver the drug to the tumor tissue only. A good solution is to anchor a magnetic nanoparticle to the molecule of the drug and to use a properly directed external magnetic field. We have shown that the improved by us synthesis of the conjugate of doxorubicin with iron-oxide magnetic nanoparticles allows a substantial...
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Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations
PublikacjaThe highest resolution vacuum ultraviolet photoabsorption spectrum of isobutyl formate, C5H10O2, yet reported is presented over the energy range 4.5−10.7 eV (275.5−118.0 nm) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator...
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Configurations of H 3 + (H2)n clusters and their energies
PublikacjaThe H-3(+) ion plays an important role in low temperature astrophysical and laboratory plasmas. It is considered as the initiator of many ion-molecule chemistries. Also its clusters with H-2 are quite interesting. We study configurations of the H-3(+)(H-2)(n) clusters for n = 1 up to n = 12 as a simple test system. Total energies for these structures, with zero point vibration corrections have been calculated. Stabilization energies...
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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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Observation of the Hydrogen Migration in the Cation-Induced Fragmentation of the Pyridine Molecules
PublikacjaThe ability to selectively control chemical reactions related to biology, combustion, and catalysis has recently attracted much attention. In particular, the hydrogen atom relocation may be used to manipulate bond-breaking and new bond-forming processes and may hold promise for far-reaching applications. Thus, the hydrogen atom migration preceding fragmentation of the gas-phase pyridine molecules by the H+, H2+, He+, He2+, and...
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Novel luminescent calixarene-based lanthanide materials: From synthesis and characterization to the selective detection of Fe3+
PublikacjaCalix[n]arene-based coordination networks are an emerging class of materials with intriguing properties resulted from the presence of the cavity-like structure of the macrocycle and metallic nodes. In this work, four novel luminescent materials based on calix[4]arene-carboxylate and lanthanides (Eu3þ and Tb3þ) were prepared by two synthetic approaches, solvothermal (CDA-Eu-ST) and slow diffusion (CDA-Eu-RT, CDA-Tb-RT, CTA-Tb-complex)...
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The Issue of Shading Photovoltaic Installation Caused by Dust Accumulation on the Glass Surface
PublikacjaThe issue of accumulation of dust and other pollutants on the surface of photovoltaic modules was thoroughly analysed over the years. One of the first surveys in this field of knowledge linked pollutant accumulation on the module surface with transmittance loss of its glass covering, which leads to lessened amount of solar radiation reaching solar cells. First stage of this accumulation process is linear transparency loss, and second...
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An effective method for studying intermolecular interactions in binary liquids with hydrogen bonds: FTIR spectra and ab initio calculations in the N-methylformamide - methanol system
PublikacjaMolecular complexes in methanol (MeOH)−N-methylformamide (NMF) mixtures were studied based on their FTIR-ATR spectra, to which two methods of analysis were applied: factor analysis and a quantitative version of the difference-spectra method. The mean composition of a complex between NMF and MeOH molecules over the whole range of mixture compositions was determined. Absorbing species differentiated with regard to the interaction...
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Modeling of pharmaceuticals mixtures toxicity with deviation ratio and best-fit functions models
PublikacjaThe present study deals with assessment of ecotoxicological parameters of 9 drugs (diclofenac (sodium salt), oxytetracycline hydrochloride, fluoxetine hydrochloride, chloramphenicol, ketoprofen, progesterone, estrone, androstenedione and gemfibrozil), present in the environmental compartments at specific concentration levels, and theirmutual combinations by couples against Microtox® and XenoScreen YES/YAS® bioassays. As the quantitative...
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Study of Non-Newtonian biomagnetic blood flow in a stenosed bifurcated artery having elastic walls
PublikacjaFluid structure interaction (FSI) gained attention of researchers and scientist due to its applications in science felds like biomedical engineering, mechanical engineering etc. One of the major application in FSI is to study elastic wall behavior of stenotic arteries. In this paper we discussed an incompressible Non-Newtonian blood fow analysis in an elastic bifurcated artery. A magnetic feld is applied along x direction. For...
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Experimental study on ice drift under the wind effect
PublikacjaThis study aims at wind and free ice drift interaction, which is an important aspect in sea ice, and low flow inland waters. Ice drift is caused by dynamic balance of water drag, gravitational acceleration, resistance force and wind drag. To have a clear point of view on wind to ice interaction, the external forces for this experimental study were limited to wind effect. The experiments were conducted in the Institute of Hydro-Engineering...
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Application of gaze tracking technology to quality of experience domain
PublikacjaA new methodological approach to study subjective assessment results employing gaze tracking technology is shown. Notions of Human-Computer Interaction (HCI) and Quality of Experience (QoE) are shortly introduced in the context of their common application. Then, the gaze tracking system developed at the Multimedia Systems Department (MSD) of Gdansk University of Technology (GUT) is presented. A series of audio-visual subjective...
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New Generation of Water lubricated Foil bearing - Numerical Models and Experimental Verification
PublikacjaIn the paper a new idea of foil water lubricated bearing and methodology of hydrodynamic characteristics calculations is presented. To assesses the theoretical characteristics of these bearings two different computer models were built. First is structural model coupled with fluid model. It takes into account: fluid flow in the deformed fluid gap, specific design of bearing support and friction in bearing support. The second is...
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Identification of Emotions Based on Human Facial Expressions Using a Color-Space Approach
PublikacjaHCI technology improves human-computer interaction. Such communication can be carried out with the use of emotions that are visible on the human face since birth. In this paper the Emotion system for detecting and recognizing facial expressions, developed in the MSc work, is presented. The system recognizes emotion from webcam video in real time. It is based on color segmentation and morphological operations. The system uses a...
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Enhancing capabilities of Atomic Force Microscopy by tip motion harmonics analysis
PublikacjaMotion of a tip used in an atomic force microscope can be described by the Lennard-Jones potential, approximated by the van der Waals force in a long-range interaction. Here we present a general framework of approximation of the tip motion by adding three terms of Taylor series what results in non-zero harmonics in an output signal. We have worked out a measurement system which allows recording of an excitation tip signal and its...
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Study of the Effect of Filling Thermoplastic Medical Polyurethane with PVA, PLA or Diatomite on the Relaxation Times Distributions of 1H NMR
PublikacjaIn this work, to characterize the mobility of diferent sections of the macromole‑ cules of polyurethane (PUR), polyvinyl alcohol (PVA), and polylactic acid (PLA), as well as the density of crosslinks of the polymer chains when using fllers, we used the distributions of spin–lattice and spin–spin relaxation times for the protons. It is shown that the rigidity of the thermoplastic polymers depends on the sizes of the granules of...
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Crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one
PublikacjaThe synthesis and crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one, C16H12O3,I, and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one,C22H16O3,II, are reported. These compounds are of interest with respect to biological activity. Both structures display intermolecular C—H---O and O—H---O hydrogen bonding, forming layers in the crystal lattice. The crystal structure of compound I is consolidated...
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Numerical investigation on the performance of a small counter-rotating wind turbine
PublikacjaThe article presents the results of the investigation on the performance of a small counter-rotating wind turbine. The wind turbine has been simulated using Computational Fluid Dynamics methods. Actuator Line Model has been successfully used to represent rotors in the computational domain. A parametric study has been carried out, taking into account changes in the tip speed ratio of the rotors while maintaining a constant distance...
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Simple colorimetric copper(II) sensor – spectral characterization and possible applications
PublikacjaNew o-hydroxyazocompound L bearing pyrrole residue was obtained in the simple synthetic protocol. The structure of L was confirmed and analyzed by X-ray diffraction. It was found that new chemosensor can be successfully used as copper(II) selective spectrophotometric regent in solution and can be also applied for the preparation of sensing materials generating selective color signal upon interaction with copper(II). Selective colorimetric...
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Insights in microbiotechnology: 2022.Editorial
PublikacjaThis Research Topic serves as an invaluable resource for readers interested in staying updated with the latest progress and developments in the field of microbiotechnology. It spotlights the innovative research conducted by up-and-coming experts in the field, specifically emphasizing the transforming abilities of microorganisms that greatly influence the scientific community. The advent of multi-omic technologies has revolutionized microbiotechnology,...
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Analiza parametrów płukania sieci wodociągowej metodą ukierunkowanego przepływu wody
PublikacjaEksperymenty prowadzone przez wiele lat podczas płukania sieci wodociągowej metodą jednokierunkowego przepływu wody umożliwiają weryfikację interakcji między jakością wypłukiwania nagromadzonych zanieczyszczeń oraz parametrami przepływu, liczbą cykli wymiany wody, a także zasięgiem płukania. Usuwanie zanieczyszczeń na początku przebiega zgodnie z szybko rosnącą krzywą, a następnie według funkcji malejącej. Taki przebieg jest spowodowany...
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Wybrane aspekty modelowania matematycznego kolejowego odbieraka prądu
PublikacjaNieprawidłowa współpraca odbieraka z siecią jezdną, w niekorzystnych warunkach lokalnych, prowadzi do uszkodzeń sieci lub odbieraka. Może być to spowodowane niewłaściwym wykonaniem lub utrzymaniem tych istotnych elementów układu zasilania. Tego typu sytuacje awaryjne powodują duże opóźnienia w ruchu pociągów i generują olbrzymie koszty. Wskazuje to na duże znaczenie odpowiednich rozwiązań konstrukcyjnych sieci i odbieraków oraz...
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The imidazoacridinone C-1311 induces p53-dependent senescence or p53-independent apoptosis and sensitizes cancer cells to radiation
PublikacjaC-1311 is a small molecule, which has shown promise in a number of preclinical and clinical studies. However, the biological response to C-1311 exposure is complicated and has been reported to involve a number of cell fates. Here, we investigated the molecular signaling which determines the response to C-1311 in both cancer and non-cancer cell lines. For the first time we demonstrate that the tumor suppressor, p53 plays a key role...
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Guanosine Dianions Hydrated by One to Four Water Molecules
PublikacjaIntermolecular 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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Procognitive activity of nitric oxide inhibitors and donors in animal models
PublikacjaNitric oxide is a small gaseous molecule that plays important roles in the majority of biological functions. Impairments of NO-related pathways contribute to the majority of neurological disorders, such as Alzheimer’s disease (AD), and mental disorders, such as schizophrenia. Cognitive decline is one of the most serious impairments accompanying both AD and schizophrenia. In the present study, the activities of NO donors, slow (spermine...
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Water Behavior Near the Lipid Bilayer
PublikacjaIn this chapter, we focus on the dynamics of water molecules situated in the vicinity of a phospholipid bilayer. Using a molecular dynamics simulation method, we studied interactions between water and the bilayer and tracked trajectories of the water molecules. Based on the hypothesis that molecules trapped inside the bilayer make different motions than the ones which are either attached to the surface or move freely in the water...
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Design and Microwave-Assisted Synthesis of TiO2-Lanthanides Systems and Evaluation of Photocatalytic Activity under UV-LED Light Irradiation
PublikacjaThe TiO2-Eu and TiO2-La systems were successfully synthesized using the microwave method. Based on the results of X-ray diffraction analysis, it was found that regardless of the analyzed systems, two crystal structures were noted for the obtained samples: anatase and rutile. The analysis, such as XPS and EDS, proved that the doped lanthanum and europium nano-particles are present only on the TiO2 surface without disturbing the...
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Theoretical designing of selenium heterocyclic non-fullerene acceptors with enhanced power conversion efficiency for organic solar cells: a DFT/TD-DFT-based prediction and understanding
PublikacjaIn this study, we have designed and explored a new series of non-fullerene acceptors for possible applications in organic solar cells. We have designed four molecules named as APH1 to APH4 after end-capped modification of recently synthesized Y6-Se-4Cl molecule. Density functional theory and time dependent-density functional theory have been employed for computing geometric and photovoltaic parameters of the designed molecules....
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Numerical modeling of quantum dynamical processes
PublikacjaIn this dissertation I present a high-precision (15, 18 or 33 decimal places) C++ implementation of quantum dynamics time propagation algorithms for both time-independent and time-dependent Hamiltonian with an inhomogeneous source term. Moreover I present an extension of both algorithms for time propagation to handle arbitrary number of coupled electronic levels. I have performed a careful validation of these implementations comparing...
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Activation of small molecules by ambiphilic NHC-stabilized phosphinoborenium cation: formation of boreniums with B–O–C, B–O–B, and B–O–P structural motifs
PublikacjaThe reactivity of the phosphinoborenium cation supported by a 1,3,4,5-tetramethylimidazolin-2-ylidene ligand toward small molecules was explored. The phosphinoborenium cation exhibited dual Lewis acid–base properties due to the presence of the Lewis acidic boron center and the Lewis basic phosphido ligand connected by a covalent bond. The reaction of the title cation with CO2 led to the insertion of a CO2 molecule into the P–B...