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Pendant Proton-Relays Systematically Tune the Rate and Selectivity of Electrocatalytic Ammonia Generation in a Fe-Porphyrin Based Metal-Organic Framework
PublikacjaElectrocatalytic nitrite reduction (eNO2RR) is a promising alternative route to produce ammonia (NH3). Until now, several molecular catalysts have shown capability to homogeneously reduce nitrite to NH3, while taking advantage of added secondary-sphere functionalities to direct catalytic performance. Yet, realizing such control over heterogeneous electrocatalytic surfaces remains a challenge. Herein, we demonstrate that heterogenization...
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Revitalized Mill Island in Bydgoszcz - the identity of the place created by the Brda River and its tributary named Młynowka
PublikacjaMill Island in Bydgoszcz, Poland is an example of downtown public space where a meander of the Młynówka creates the identity of the area.Before 2005, the only outstanding local feature was the fact that its south and west ends resembled the Venetian canals. The way the other parts of Mill Island were managed was inappropriate for a downtown.A comprehensive revitalization programme is returning Mill Island public space to residents,...
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Structural properties of mixed conductor Ba1−xGd1−yLax+yCo2O6−δ
PublikacjaBa1−xGd1−yLax+yCo2O6−δ (BGLC) compositions with large compositional ranges of Ba, Gd, and La have been characterised with respect to phase compositions, structure, and thermal and chemical expansion. The results show a system with large compositional flexibility, enabling tuning of functional properties and thermal and chemical expansion. We show anisotropic chemical expansion and detailed refinements of emerging phases as La is...
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A novel hierarchically-porous diamondized polyacrylonitrile sponge-like electrodes for acetaminophen electrochemical detection
PublikacjaA novel composite electrode material consisting of tangled fibrous polyacrylonitrile-based hierarchically-struc- tured nanocomposites has been produced by wet-spinning, carbonized and decorated with a carbon nano- architecture by microwave plasma-enhanced chemical vapor deposition and investigated as a metal-free electrode for the enhanced electrochemical detection of acetaminophen. Surprisingly, the hierarchical fiber ar- chitecture...
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Authenticity of cultural heritage vis-à-vis heritage reproducibility and intangibility: from conservation philosophy to practice
PublikacjaThis article states that the philosophical nature/ambiguity/controversy of the issue of authenticity undermines its usefulness as a tool in conservation practice. The main drawback is the inability to objectively define the notion of authenticity. In conservation philosophy, the meaning of authenticity relativizes along with the widespread consent to the reproducibility of cultural heritage, whereas the recognition of its intangibility...
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Thermochemistry of rare earth perovskites Na3xRE0.67−xTiO3 (RE = La, Ce)
PublikacjaHigh-temperature oxide melt solution calorimetry using sodium molybdate (3Na2O·4MoO3) solvent at 973 K was performed for the Na3xRE0.67−xTiO3 (RE = La, Ce) perovskite series. The enthalpies of formation of lanthanum perovskites from oxides (La2O3, Na2O, TiO2), are −107.25 ± 2.56, −93.83 ± 6.06, −80.68 ± 5.93, and −33.49 ± 4.26 kJ/mol and enthalpies of formation from elements are −1614.05 ± 5.37, −1596.44 ± 7.68, −1594.03 ± 7.58,...
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Influence of S-Oxidation on Cytotoxic Activity of Oxathiole-Fused Chalcones
PublikacjaSynthesis, in vitro cytotoxic activity, and interaction with tubulin of oxidized, isomeric 1-(5-alkoxybenzo[d] [1,3]oxathiol-6-yl)-3-phenylprop-2-en-1-ones and 1-(6- alkoxybenzo[d][1,3]oxathiol-5-yl)-3-phenylprop-2-en-1- ones are described. Most of the compounds demonstrated cytotoxic activity at submicromolar concentrations. It was found that oxidation of sulfur atom of the oxathiole-fused chalcones strongly influenced activity...
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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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Low-Molecular Pyrazine-Based DNA Binders: Physicochemical and Antimicrobial Properties
PublikacjaPyrazine and its derivatives are a large group of compounds that exhibit broad biological activity, the changes of which can be easily detected by a substituent effect or a change in the functional group. The present studies combined theoretical research with the density functional theory (DFT) approach (B3LYP/6-311+G**) and experimental (potentiometric and spectrophotometric) analysis for a thorough understanding of the structure...
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Development of the New Polish Method for Capacity Analysis of Motorways and Expressways
PublikacjaThe paper presents development of the new Polish method for performing capacity analysis of basic segments of dual carriageway roads (motorways and expressways). The method is based on field traffic surveys conducted at 30 motorway and expressway sites (class A and S roads) in Poland. Traffic flows, composition and travel times were observed in 15-min intervals at each site using ANPR filming method. These data were used to calibrate...
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High frequency oscillations are associated with cognitive processing in human recognition memory
PublikacjaHigh frequency oscillations are associated with normal brain function, but also increasingly recognized as potential biomarkers of the epileptogenic brain. Their role in human cognition has been predominantly studied in classical gamma frequencies (30-100 Hz), which reflect neuronal network coordination involved in attention, learning and memory. Invasive brain recordings in animals and humans demonstrate that physiological oscillations...
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Chemical investigation on the mechanism and kinetics of the atmospheric degradation reaction of Trichlorofluoroethene by OH⋅ and Its subsequent fate in the presence of O2/NOx
PublikacjaThe M06-2X/6-311++G(d,p) level of theory was used to examine the degradation of Trichlorofluoroethene (TCFE) initiated by OH⋅ radicals. Additionally, the coupled-cluster single-double with triple perturbative [CCSD(T)] method was employed to refine the single-point energies using the complete basis set extrapolation approach. The results indicated that OH-addition is the dominant pathway. OH⋅ adds to both the C1 and C2 carbons,...
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The evidence for the impact of policy on physical activity outcomes within the school setting: A systematic review
PublikacjaPurpose Despite the well-established health benefits of physical activity (PA) for young people (aged 4–19 years), most do not meet PA guidelines. Policies that support PA in schools may be promising, but their impact on PA behavior is poorly understood. The aim of this systematic review is to ascertain the level and type of evidence reported in the international scientific literature for policies within the school setting that...
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Problemy modelowania liczby podróży generowanych i absorbowanych na przykładzie Gdańska
PublikacjaJedną z podstawowych danych niezbędnych do planowania elementów systemu transportowego jest informacja o liczbie podróży odbywanych na analizowanym obszarze. Dane te uzyskiwane są najczęściej za pomocą symulacyjnych modeli transportowych. Jednym z istotnych elementów i pierwszym etapem najczęściej stosowanego, klasycznego modelu czterostopniowego jest modelowanie liczby podróży generowanych i absorbowanych, podczas którego to...
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SiMiSnoRNA: Collection of siRNA, miRNA, and snoRNA database for RNA Interference
PublikacjaObjective:The discovery of sequence specific gene silencing which occurs due to the presence of double-stranded RNAs has considerable impact on biology, revealing an unknown level of regulation of gene expression. This process is known as RNA interference (RNAi) or RNA silencing in which RNA molecules inhibit gene expression, typically by causing the destruction of specific mRNA molecule. Two types of small RNA molecules - small...
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Leukemia and risk of recurrent Escherichia coli bacteremia: genotyping implicates E. coli translocation from the colon to the bloodstream.
PublikacjaIn patients with leukemia, the portal(s) and reasons for the persistence of an Escherichia coli recurrent bacteremia remain unclear. Adult Hematology Clinic (AHC) databases at the State Clinical Hospital in Gdańsk were reviewed to evaluate the frequency of E. coli bacteremia between 2002 and 2005. Blood and bowel E. coli strains were obtained and the genetic relatedness of the strains was analyzed. The rate of E. coli bacteremia...
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Acid–Base Equilibrium and Self-Association in Relation to High Antitumor Activity of Selected Unsymmetrical Bisacridines Established by Extensive Chemometric Analysis
PublikacjaUnsymmetrical bisacridines (UAs) represent a novel class of anticancer agents previously synthesized by our group. Our recent studies have demonstrated their high antitumor potential against multiple cancer cell lines and human tumor xenografts in nude mice. At the cellular level, these compounds affected 3D cancer spheroid growth and their cellular uptake was selectively modulated by quantum dots. UAs were shown to undergo metabolic...
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Human Feedback and Knowledge Discovery: Towards Cognitive Systems Optimization
PublikacjaCurrent computer vision systems, especially those using machine learning techniques are data-hungry and frequently only perform well when dealing with patterns they have seen before. As an alternative, cognitive systems have become a focus of attention for applications that involve complex visual scenes, and in which conditions may vary. In theory, cognitive applications uses current machine learning algorithms, such as deep learning,...
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Results from a Genome-Wide Association Study (GWAS) in Mastocytosis Reveal New Gene Polymorphisms Associated with WHO Subgroups
PublikacjaMastocytosis is rare disease in which genetic predisposition is not fully understood. The aim of this study was to analyze associations between mastocytosis and single nucleotide polymorphisms (SNPs) by a genome-wide association study (GWAS) approach. A total of 234 patients were enrolled in our study, including 141 with cutaneous mastocytosis (CM; 78 children and 63 adults) and 93 with systemic mastocytosis (SM, all adults)....
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Zastosowanie testu biologicznego Microtox do oceny skuteczności działania oczyszczalni ścieków bytowo-przemysłowych
PublikacjaOcena efektywności procesu oczyszczania ścieków z zastosowaniem biotestu Microtox® na przykładzie wybranej oczyszczalni Powszechnie praktykowanym sposobem wprowadzania ścieków oczyszczonych do środowiska jest ich punktowy zrzut do wód powierzchniowych. Różnorodność działalności prowadzonej w ramach współczesnej gospodarki sprawia, że do oczyszczalni docierają nie tylko substancje, których oznaczanie jest wymagane przez przepisy...
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Optimization of combined heat and power (CHP) market allocation: The case of Poland
PublikacjaCombined heat and power (CHP), that is production of electricity and useful heat in a single thermodynamic process, is a way of primary energy saving and emission reduction. Therefore, promotion of the electricity from high-efficiency cogeneration (CHP-E) was encouraged in the European Union. However, CHP-E promotion mechanisms proved low effectiveness in certain countries, like Poland, where the prices of certificates of origin...
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Representing Process Characteristics to Increase Confidence in Assurance Case Arguments
PublikacjaAn assurance case is a structured, evidence-based argument demonstrating that a safety or other quality objective of a high integrity system is assured. Assurance cases are required or recommended in many industry domains as a means to convince the regulatory bodies to allow commissioning of such system. To be convincing, an argument should address all potential doubts and thus cover numerous additional issues, including the processes...
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Experimental Testing of Innovative Cold-Formed "GEB" Section / Badania Eksperymentalne Innowacyjnego Kształtownika Giętego Na Zimno Typu „Geb“
PublikacjaOne of the major advantages of light gauge steel structures made of cold-formed steel sections is their low weight, so manufacturers are increasingly using the possibilities of those sections for the production of typical single-storey steel structures systems. Well known profiles, such as Z, C and the so called hat sections that have been studied and described in the literature, are used mainly as purlins or truss components....
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Hybrid analogues of SFTI-1 modified in P1 position by β- and γ-amino acids and N-substituted β-alanines
PublikacjaA series of compounds containing either non-proteinogenic beta-/gamma-amino acids or N-substituted beta-alanine residues (beta-peptoid units) in P-1 specificity position were synthesized based on the structure of sunflower trypsin inhibitor 1 (SFTI-1). The compounds were synthesized on a solid support; the N-substituted beta-alanines (beta Nhlys and beta Nhphe) were introduced into a peptidomimetic chain via a two-step approach...
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A new relevant membrane application: CO2 direct air capture (DAC)
PublikacjaSince carbon dioxide (CO2) is the primary greenhouse gas emitted into the atmosphere due to human activities, strong research efforts have been developed towards capturing and decreasing its production. Unfortunately, specific processes and activities make it impossible to avoid CO2 emissions. Among the different strategies scientists propose for CO2 reduction, direct CO2 capture from the atmosphere, also known as direct air capture...
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Encapsulation of Cs3Bi2Br9 perovskite photocatalyst with polythiophene for prolonged activity in oxidizing and humid environment
PublikacjaDespite their growing popularity in modern technology, halide perovskites suffer from susceptibility to oxidation, limiting their applications. Our aim was to enhance Cs3Bi2Br9 perovskite's performance in humid environments through polythiophene encapsulation. This extended its lifespan while preserving photocatalytic abilities, as demonstrated in toluene decomposition experiments. We confirmed the stability of Cs3Bi2Br9 encapsulated...
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Some aspects of noise generated by a small ship in the shallow sea
PublikacjaThe passing and underwater moving objects produce the noises of variable intensity, which significantly increase the overall level of noise in the sea. This applies to both the sonic and ultrasonic range. The excessive levels of underwater noise adversely affects the so-called underwater acoustic climate and is the reason why this phenomenon is intensively investigated from the number of years. The results of experimental work...
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Simulating Malware with MAlSim
PublikacjaThis paper describes MAlSim - Mobile Agent Malware Simulator - a mobile agent framework developed to address one of the most important problems related to the simulation of attacks against information systems i.e. the lack of adequate tools for reproducing behaviour of malicious software (malware). The framework can be deployed over the network of an arbitrary information system and it aims at simulating behaviour of each instance...
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Simulating malware with MAlSim
PublikacjaThis paper describes MAlSim - Mobile Agent Malware Simulator - a mobile agent framework developed to address one of the most important problems related to the simulation of attacks against information systems, i.e. the lack of adequate tools for reproducing behaviour of malicious software (malware). The framework can be deployed over the network of an arbitrary information system and it aims at simulating behaviour of each instance...
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An advanced Thermal-FSI approach to flow heating/cooling
PublikacjaActually, two-way thermal-energy exchange between working fluid and solid material of a casing is a leading problem for modern – semi automatic – design techniques. Many questions should be solved, especially, the turbulent mode of thermal energy transport both in fluid and solid, should be re-examined and reformulated from the primary principles. In the present paper, a group of researchers from Energy Conversion Department of...
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Comparison of state feedback and PID control of pressurizer water level in nuclear power plant
PublikacjaThe pressurizer water level control system in nuclear power plant with pressurized water reactor (PWR) is responsible for coolant mass balance. The main control goal is to stabilize the water level at a reference value and to suppress the effect of time-varying disturbances (e.g. coolant leakage in primary circuit pipeline system). In the process of PWR power plant operation incorrect water level may disturb pressure control or...
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Innovative cold-formed GEB section under compression
PublikacjaCold-formed steel sections extensively affect the modern steel construction industry. Not only are they used as secondary elements like purlins or sheeting, but also they can serve as primary load-bearing members in fabricated steel panels and trusses. A new cross-section called shortly a GEB may serve as that member. However, its existence of the metal building structures industry depends on the exact, optimal dimensional parameters...
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Cure kinetics of epoxy/MWCNTs nanocomposites: Isothermal calorimetric and rheological analyses
PublikacjaA combinatorial route has been applied in cure kinetics study of epoxy nanocomposites containing multi-walled carbon nanotubes (MWCNTs) based on differential scanning calorimetry and rheokinetic analyses under isothermal conditions. Pristine and amine-modified MWCNTs bearing primary and secondary amines were used at very low concentrations (0.1 and 0.3 wt.% based on epoxy weight). Model-free and model-fitting methods were applied...
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Ultimate biodegradability and ecotoxicity of orally administered antidiabetic drugs
PublikacjaHypoglycaemic pharmaceuticals are recently more and more frequently detected in the environment. In our previous study, we have shown that even though many of them undergo significant primary degradation some are transformed to stable products or undergo such transformation that a large part of the structure is still preserved. One of the main routes of elimination from wastewaters or surface waters is biodegradation and a lack...
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Chitin and derivative chitosan-based structures — Preparation strategies aided by deep eutectic solvents: A review
PublikacjaThe high molecular weight of chitin, as a biopolymer, challenges its extraction due to its insolubility in the solvents. Also, chitosan, as the N-deacetylated form of chitin, can be employed as a primary material for different industries. The low mechanical stability and poor plasticity of chitosan films, as a result of incompatible interaction between chitosan and the used solvent, have limited its industrialization. Deep eutectic...
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Aiming at methods’ wider adoption: Applicability determinants and metrics
PublikacjaNumerous computer science methods and techniques have been proposed by the scientific community. However, depending on the domain, only their minor fraction has met wider adoption. This paper brings attention to the concept of applicability - the notion that is well acknowledged in the scientific field but have not been analysed with respect to determinants, metrics and systematisation. The primary objective of the study was to...
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Adaptive traffic optimization using Variable Speed Limits; Adaptacyjna optymalizacja ruchu drogowego przy pomocy zmiennych ograniczeń prędkości
PublikacjaVariable speed limits (VSL) is an intelligent transportation system (ITS) solution for traffic management. The speed limits can be changed dynamically in order to adapt to traffic, weather, or road surface conditions. This paper presents an approach for such an adaptive traffic control where the primary goal is to ensure traffic safety and efficiency of the traffic control system (fast response to dynamically changing traffic,...
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Rapid multi-objective design of integrated on-chip inductors by means of Pareto front exploration and design extrapolation
PublikacjaIdentification of the best trade-offs between conflicting design objectives allows for making educated design decisions as well as assessing suitability of a given component or circuit for a specific application. In case of inductors, the typical objectives include maximization of the quality factor and minimization of the layout area, as well as maintaining a required inductance at a given operating frequency. This work demonstrates...
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Frequency-Based Regularization for Improved Reliability Optimization of Antenna Structures
PublikacjaThe paper proposes a modified formulation of antenna parameter tuning problem. The main ingredient of the presented approach is a frequency-based regularization. It allows for smoothening the functional landscape of the assumed cost function, defined to encode the prescribed design specifications. The regularization is implemented as a special penalty term complementing the primary objective and enforcing the alignment of the antenna...
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Molecular modeling and evaluation of novel dibenzopyrrole derivatives as telomerase inhibitors and potential drug for cancer therapy
PublikacjaDuring previous years, many studies on synthesis, as well as on anti-tumor, anti-inflammatory and anti-bacterial activities of the pyrazole derivatives have been described. Certain pyrazole derivatives exhibit important pharmacological activities and have proved to be useful template in drug research. Considering importance of pyrazole template, in current work the series of novel inhibitors were designed by replacing central...
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The significance of the properties of water for the working cycle of the kinesin molecular motor
PublikacjaExplicit solvent molecular dynamics simulations were performed in this study to investigate and discuss several aspects of the influence of the properties of water on the working cycle of a molecular motor from the kinesin superfamily. The main objects of attention were: the binding of the neck linker and the association of the kinesin and the tubulin. The docking of the neck linker is considered a crucial event during the working...
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Risk of Cost Overruns in Implementation of Building Investment in Urban Conditions in the Aspect of Historical Background of its Location
PublikacjaThe article is a continuation of the authors' analyzes on the risk of delays in implementation of building investment in urban conditions in the aspect of historical background of its location. In case of construction investment located in the historic part of the city, the possible accumulation of many unfavourable factors, which in course of its implementation, may constitute a serious source of cost overruns and disruptions,...
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Rural Landscapes of Roman (northern) Liburnia: Diachronic Development of Organisation and the Economy in Extra-Urban Territories in the Light of Recent Archaeological Research
PublikacjaThe archaeology of Roman rural landscapes in the province of Dalmatia, and especially northern Liburnia, has until recently focused on single-site or single-monument analyses, allowing for only geographically patchy and chronologically limited conclusions. Considering the results of recent research in the wider Kvarner and sub-Velebit area, the paper discusses issues of Roman extra-urban territorial organization, the formation...
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Modified Peptide Molecules As Potential Modulators of Shelterin Protein Functions; TRF1
PublikacjaIn this work, we present studies on relatively new and still not well-explored potential anticancer targets which are shelterin proteins, in particular the TRF1 protein can be blocked by in silico designed "peptidomimetic" molecules. TRF1 interacts directly with the TIN2 protein, and this protein-protein interaction is crucial for the proper functioning of telomere, which could be blocked by our novel modified peptide molecules....
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Case Study of Stray Current Corrosion of Tall Ship Mast
PublikacjaNowadays, in the present technical civilization there are numerous complex technical systems that may generate various hazards. Large transport units like ships can be considered as the most dangerous systems. Therefore, it is important to eliminate all possible hazards, especially for ship crewmembers. Destruction of ship structural components caused by vast corrosion is one of these hazards. Usually, its activity leads to a decrease...
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Determination of odour concentration by TD-GC×GC–TOF-MS and field olfactometry techniques
PublikacjaField olfactometry is one of the sensory techniques used to determine odour concentration, in atmospheric air, directly in emission sources. A two-dimensional gas chromatography with time of flight mass spectrometer (GC×GC–TOF-MS) allows performing the chemical characterization of various groups of chemical compounds, even in complex mixtures. Application of these techniques enabled determination of odour concentration level in...
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Role of cholesterol in substrate recognition by -secretase
Publikacja-Secretase is an enzyme known to cleave multiple substrates within their transmembrane domains, with the amyloid precursor protein of Alzheimer’s Disease among the most prominent examples. The activity of -secretase strictly depends on the membrane cholesterol content, yet the mechanistic role of cholesterol in the substrate binding and cleavage remains unclear. In this work, we used all-atom molecular dynamics simulations to examine...
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Novel chalcone-derived pyrazoles as potential therapeutic agents for the treatment of non-small cell lung cancer
PublikacjaLung cancer is considered to account for approximately one-fifth of all malignant tumor-related deaths worldwide and is therefore one of the most lethal malignancies. Pyrazole scaffold possesses a wide range of biological and pharmacological activities, which play important roles in medicinal chemistry. The present study reports the synthesis and in vitro biological characterization of nine pyrazoles derived from chalcones as potential...
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The Role of Electrostatics in Enzymes: Do Biomolecular Force Fields Reflect Protein Electric Fields?
PublikacjaPreorganization 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...
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Evaluation of flavour profiles in e-cigarette refill solutions using gas chromatography–tandem mass spectrometry
PublikacjaMany flavour compounds that are present in e-liquids for e-cigarettes are responsible for specific tastes and smoking sensations for users. Data concerning content and specific types of flavours is often limited and unknown to users. The aim of the research was to define and compare flavour profiles of e-liquids with the same group taste from different manufacturers. Gas chromatography coupled with tandem mass spectrometry (GC–MS/MS)...