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Linear game non-contextuality and Bell inequalities—a graph-theoretic approach
PublicationWe study the classical and quantum values of a class of one-and two-party unique games, that generalizes the well-known XOR games to the case of non-binary outcomes. In the bipartite case the generalized XOR(XOR-d) games we study are a subclass of the well-known linear games. We introduce a 'constraint graph' associated to such a game, with the constraints defining the game represented by an edge-coloring of the graph. We use the...
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Randomness Amplification under Minimal Fundamental Assumptions on the Devices
PublicationRecently, the physically realistic protocol amplifying the randomness of Santha-Vazirani sources producing cryptographically secure random bits was proposed; however, for reasons of practical relevance, the crucial question remained open regarding whether this can be accomplished under the minimal conditions necessary for the task. Namely, is it possible to achieve randomness amplification using only two no-signaling components...
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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublicationWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
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Conjugates of Ciprofloxacin and Levofloxacin with Cell-Penetrating Peptide Exhibit Antifungal Activity and Mammalian Cytotoxicity
PublicationSeven conjugates composed of well-known fluoroquinolone antibacterial agents, ciprofloxacin (CIP) or levofloxacin (LVX), and a cell-penetrating peptide transportan 10 (TP10-NH2) were synthesised. The drugs were covalently bound to the peptide via an amide bond, methylenecarbonyl moiety, or a disulfide bridge. Conjugation of fluoroquinolones to TP10-NH2 resulted in congeners demonstrating antifungal in vitro activity against human...
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Sugar matters: sugar moieties as reactivity-tuning factors in quercetin O-glycosides
PublicationQuercetin, one of the most abundant flavonoids in plant-based foods, commonly occurs in nature in various glycosylated forms. There is still a less explored aspect regarding the cause of its glycosides diversity, depending on the sugars moiety attached. This work focuses on four widespread quercetin glycosides—hyperoside, isoquercitrin, quercitrin and rutin—by testing property-tuning capacity of different sugar moieties and thus...
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On symmetric extendibility of quantum states and its applications
PublicationThis dissertation is focused on analysis of the symmetric extendibility of quantum states and its applications in the quantum information theory, with special attention paid to the area of quantum entanglement distillation, quantum channels theory, quantum security, and monogamy of quantum entanglement in time. We analyze geometry of the set of symmetric extendible states, i.e. such states that possess symmetric extensions and...
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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...
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Solvent influence on the crystal structures of new cadmium tri-tert -butoxysilanethiolate complexes with 1,4-bis(3-aminopropyl)piperazine: luminescence and antifungal activity
PublicationMonocrystals of dinuclear -1,4-bis(3-aminopropyl)piperazine-4N1,N10:N4,N40-bis[bis(tri-tert-butoxysilanethiolato-S)cadmium(II)], [Cd2(C12H27O3SSi)4(C10-H24N4)] or [Cd2{SSi(OtBu)3}4(-BAPP)], 1, and polynuclear catena-poly[[bis-(tri-tert-butoxysilanethiolato-S)cadmium(II)]--1,4-bis(3-aminopropyl)piperazine-2N10:N40], [Cd(C12H27O3SSi)2(C10H24N4)]n or [Cd{SSi(OtBu)3}2(-BAPP)]n,2, with 1,4-bis(3-aminopropyl)piperazine (BAPP)...
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Impact of abiotic stressors on nutrient removal and rhizomicrobiome composition in floating treatment wetland with Equisetum hyemale
PublicationFloating treatment wetlands (FTW) are receiving growing interest as a phyto-technology. However, there are significant research gaps regarding the actual role of plant species and plant-microbiome interactions. In this study, the nutrient uptake of Equisetum hyemale was examined in FTW microcosms under the influence of abiotic stressors: As (3 mg/L) and Pb (3 mg/L) as well as Cl− (300 and 800 mg/L) in reference to a control during...
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Electrochemical detection of bacterial endotoxin lipopolysaccharide (LPS) on gold electrode modified with DAL-PEG-DK5-PEG-OH - Antimicrobial peptide conjugate
PublicationThis work describes fabrication of gold electrodes modified with peptide conjugate DAL-PEG-DK5-PEG-OH that enables ultra-sensitive detection of lipopolysaccharide (LPS) isolated from the reference strain of Escherichia coli O26:B6. The initial step of the established procedure implies immobilization of the fully protected DAL-PEG-DK5-PEG-OH peptide on the surface of the gold electrode previously modified by cysteamine. Then side...
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Solvent influence on the crystal structures of new cadmium tri-tert -butoxysilanethiolate complexes with 1,4-bis(3-aminopropyl)piperazine: luminescence and antifungal activity
PublicationMonocrystals of dinuclear 1,4-bis(3-aminopropyl)piperazine-�4N1,N10:N4,N40-bis[bis(tri-tert-butoxysilanethiolato-�S)cadmium(II)], [Cd2(C12H27O3SSi)4(C10-H24N4)] or [Cd2{SSi(OtBu)3}4(�-BAPP)], 1, and polynuclear catena-poly[[bis- (tri-tert-butoxysilanethiolato-�S)cadmium(II)]-�-1,4-bis(3-aminopropyl)piperazine-�2N10:N40], [Cd(C12H27O3SSi)2(C10H24N4)]n or [Cd{SSi(OtBu)3}2(�-BAPP)]n, 2, with 1,4-bis(3-aminopropyl)piperazine (BAPP)...
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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...
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The ILs-assisted solvothermal synthesis of TiO2 spheres: the effect of ionic liquids on morphology and photoactivity of TiO2
PublicationEffect of the ionic liquid (IL) structure (chain length in the imidazolium cation) on morphology and photoactivity of TiO2 particles has been systematically investigated. The TiO2 microspheres have been successfully synthesized via facile solvothermal method assisted by ionic liquids, such as 1-butyl-3-methylimidazolium chloride [BMIM][Cl] and 1-decyl-3-methylimidazolium chloride [DMIM][Cl] using tetra-tert-butyl orthotitanate...
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Combination of instrumental and qualitative descriptive analysis for evaluation of selected tonic waters quality features
PublicationThe combination of sensory and instrumental analysis was applied for quality assurance of selected tonic waters. The Quantitative Descriptive Analysis (QDA) in terms of fourteen sensory attributes (aroma, astringency, bite, burn, numbing, tongue heaviness, carbonation, mouth coating, sweet taste, sour taste, bitter taste, sweet aftertaste, sour aftertaste, bitter aftertaste) of selected tonic waters was performed by sensory experts....
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Simultaneous voltammetric determination of Cd2+, Pb2+, and Cu2+ ions captured by Fe3O4@SiO2 core-shell nanostructures of various outer amino chain length
PublicationIn the present study, we examined a novel functionalised magnetic nanoparticles Fe3O4@SiO2-Nn as a nano adsorbent for binding of Cd2+, Pb2+, Cu2+ ions in an aqueous solution. First, we obtained the nanoparticles functionalised with various carbon chains containing different number of amino groups: (3-amino)propyltriethoxysilane (Fe3O4@SiO2-N1), N-(2-aminoethyl)-3-aminopropyltrimethoxysilane (Fe3O4@SiO2-N2) and N1-(3-trimethoxysilylpropyl)diethylenetriamine...
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Corrosion Inhibition Mechanism and Efficiency Differentiation of Dihydroxybenzene Isomers Towards Aluminum Alloy 5754 in Alkaline Media
PublicationThe selection of efficient corrosion inhibitors requires detailed knowledge regarding the interaction mechanism, which depends on the type and amount of functional groups within the inhibitor molecule. The position of functional groups between different isomers is often overlooked, but is no less important, since factors like steric hinderance may significantly affect the adsorption mechanism. In this study, we have presented how...
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An insight into the mixed quantum mechanical-molecular dynamics simulation of a ZnII-Curcumin complex with a chosen DNA sequence that supports experimental DNA binding investigations
PublicationAn important aspect of research pertaining to Curcumin (HCur) is the need to arrest its degradation in aqueous solution and in biological milieu. This may be achieved through complex formation with metal ions. For this reason, a complex of HCur was prepared with ZnII, that is not likely to be active in redox pathways, minimizing further complications. The complex is monomeric, tetrahedral, with one HCur, an acetate and a molecule...
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Characterization and Technical Application of Fine Photocatalytical Particles - A Study of the Immobilization of Photocatalysts
PublicationThe main aim of this dissertation was the transfer of photocatalytical laboratory scale experiments to semi-technical scale. Preliminary experiments of the purification of organic chlorine-loaded waters and the immobilization of photocatalysts were performed, which yielded the research back to the roots of synthesis. The first applied research was carried out on treatment of recreational water. Several light sources, particularly...
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Global defensive sets in graphs
PublicationIn the paper we study a new problem of finding a minimum global defensive set in a graph which is a generalization of the global alliance problem. For a given graph G and a subset S of a vertex set of G, we define for every subset X of S the predicate SEC ( X ) = true if and only if | N [ X ] ∩ S | ≥ | N [ X ] \ S | holds, where N [ X ] is a closed neighbourhood of X in graph G. A set S is a defensive alliance if and only if for...
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Natural convection in symmetrically heated vertical channels
PublicationThe study describes natural convection through a vertical channel, open on four sides and bound by two isothermal walls. Both balancing and infrared experimental investigations were performed in air (Pr = 0.71) to estimate the impact of channel width s and wall-to-ambient temperature difference (tw - t∞) on natural convective heat transfer, the formation of air flow patterns and the rate of flow pattern formation. The study was...
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Normal-form preemption sequences for an open problem in scheduling theory
PublicationStructural properties of optimal preemptive schedules have been studied in a number of recent papers with a primary focus on two structural parameters: the minimum number of preemptions necessary, and a tight lower bound on shifts, i.e., the sizes of intervals bounded by the times created by preemptions, job starts, or completions. These two parameters have been investigated for a large class of preemptive scheduling problems,...
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A Framework for Searching in Graphs in the Presence of Errors
PublicationWe consider a problem of searching for an unknown target vertex t in a (possibly edge-weighted) graph. Each vertex-query points to a vertex v and the response either admits that v is the target or provides any neighbor s of v that lies on a shortest path from v to t. This model has been introduced for trees by Onak and Parys [FOCS 2006] and for general graphs by Emamjomeh-Zadeh et al. [STOC 2016]. In the latter, the authors provide...
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Modelling of laminated glass PVB walls of buildings exposed to vehicle impact with different speeds
PublicationThis paper presents an analytical model, developed for laminated glass subjected to a low-velocity impact. It has the ability to capture glass cracks as well as large non-linear deformations. It is based mathematically on the firstorder deformation concept, which considers the effect of membrane and transverse shear as well as bending. This theory uses damage mechanics to capture the glass cracking. For this purpose, several experiments...
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Seasonal changes of mercury speciation in the coastal sediments
PublicationPurpose Mercury speciation in sediments is linked to environmental conditions and processes. Domination of particular mercury species depends on its source, displays considerable seasonal behavior, and may be further modified due to oxygen levels, icing conditions, or the input of fresh organic matter. The purpose of this study was to examine the coastal area of the Gulf of Gdańsk in terms of mercury contamination and the influence...
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TDOA versus ATDOA for wide area multilateration system
PublicationThis paper outlines a new method of a location service (LCS) in the asynchronous wireless networks (AWNs) where the nodes (base stations) operate asynchronously in relation to one another. This method, called asynchronous time difference of arrival (ATDOA), enables the calculation of the position of the mobile object (MO) through the measurements taken by a set of non-synchronized fixed nodes and is based on the measurement of...
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Comparison of Cadmium Cd2+ and Lead Pb2+ Binding by Fe2O3@SiO2‐EDTA Nanoparticles – Binding Stability and Kinetic Studies
PublicationThis study describes the synthesis and characterization of ethylenediaminetetraacetic acid (EDTA) functionalized magnetic nanoparticles of 20 nm in size – Fe3O4@SiO2‐EDTA – which were used as a novel magnetic adsorbent for Cd(II) and Pb(II) binding in aqueous medium. These nanoparticles were obtained in two‐stage synthesis: covering by tetraethyl orthosilicate and functionalization with EDTA derivatives. Nanoparticles were characterized...
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Triplet–Triplet Annihilation Upconverting Liposomes: Mechanistic Insights into the Role of Membranes in Two-Dimensional TTA-UC
PublicationTriplet−triplet annihilation upconversion (TTA-UC) implemented in nanoparticle assemblies is of emerging interest in biomedical applications, including in drug delivery and imaging. As it is a bimolecular process, ensuring sufficient mobility of the sensitizer and annihilator to facilitate effective collision in the nanoparticle is key. Liposomes can provide the benefits of two-dimensional confinement and condensed concentration...
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Hydration of N-Hydroxyurea from Ab Initio Molecular Dynamics Simulations
PublicationN-Hydroxyurea (HU) is an important chemotherapeutic agent used as a first-line treatment in conditions such as sickle cell disease and β-thalassemia, among others. To date, its properties as a hydrated molecule in the blood plasma or cytoplasm are dramatically understudied, although they may be crucial to the binding of HU to the radical catalytic site of ribonucleotide reductase, its molecular target. The purpose of this work...
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Analytical methods for exhaustive characterization of Brassica plants and dietary products based on them
PublicationGlucosinolates (GLs), and particularly two classes of their degradation products - isothiocyanates (ITC) and indoles - released upon myrosinase catalyzed hydrolysis, belong to the most promising chemopreventive dietary components. Despite their wide use in plant research, studies on chemopreventive mechanisms and industrial utilization in the production of e.g. dietary supplements, the methods of reliable characterization of myrosinase-GLs...
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Antitumor DNA-Damaging C-1748 is a New Inhibitor of Autophagy that Triggers Apoptosis in Human Pancreatic Cancer Cell Lines
PublicationDespite the enormous progress that has been made over the past decades in diagnosis, treatment and prevention of many types of tumors, survival rates in pancreatic cancer still remain poor. Pancreatic cancer is one of the most malignant and chemoresistant tumors and the profound mechanism supporting these phenomena is the constitutively activated prosurvival autophagy. The antitumor 1-nitroacridine derivative C-1748 belongs to...
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A demand for innovation support in samll and medium-sized enterprises in the baltic sea region
Publicationthe aim of the expertise is to analyze the actual demand of smes from the baltic sea region for innovation support. the results of the conducted study can help formulate recommendations designed to increase innovation and competitiveness of smes in the baltic sea region in the future. research activities of this study include: the evaluation of innovation level of the baltic sea region enterprises (type and intensity of implemented...