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Catalytic Mechanism of Non-Target DNA Cleavage in CRISPR-Cas9 Revealed by Ab Initio Molecular Dynamics
PublikacjaCRISPR-Cas9 is a cutting-edge genome editing technology, which uses the endonuclease Cas9 to introduce mutations at desired sites of the genome. This revolutionary tool is promising to treat a myriad of human genetic diseases. Nevertheless, the molecular basis of DNA cleavage, which is a fundamental step for genome editing, has not been established. Here, quantum–classical molecular dynamics (MD) and free energy methods are used...
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Deep eutectic solvents – A new platform in membrane fabrication and membrane-assisted technologies
PublikacjaDeep eutectic solvents (DESs) are a new class of solvents that can offset some of the primary drawbacks of typical solvents and ionic liquids (ILs). Since DESs fall into the guidelines of “Twelve Principles of Green Chemistry”, their implementation in several types of applications has exponentially increased over the last years. The usage of DESs has been directed to the designing, manufacture and purification of new materials...
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Advanced Oxidation Processes for Degradation of Water Pollutants—Ambivalent Impact of Carbonate Species: A Review
PublikacjaAdvanced oxidation processes (AOPs) hold great promise in the removal of organic contaminants. Reactive oxygen species (ROS) produced in AOPs react with target pollutants to initially form several intermediate compounds that finally undergo complete mineralization. Such observations are reported, especially for laboratory-scale experiments performed in pure water. On the other hand, while considering real contaminated wastewater...
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A review on computer‐aided chemogenomics and drug repositioning for rational COVID ‐19 drug discovery
PublikacjaApplication of materials capable of energy harvesting to increase the efficiency and environmental adaptability is sometimes reflected in the ability of discovery of some traces in an environment―either experimentally or computationally―to enlarge practical application window. The emergence of computational methods, particularly computer-aided drug discovery (CADD), provides ample opportunities for the rapid discovery and development...
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Smart Approach for Glioma Segmentation in Magnetic Resonance Imaging using Modified Convolutional Network Architecture (U-NET)
PublikacjaSegmentation of a brain tumor from magnetic resonance multimodal images is a challenging task in the field of medical imaging. The vast diversity in potential target regions, appearance and multifarious intensity threshold levels of various tumor types are few of the major factors that affect segmentation results. An accurate diagnosis and its treatment demand strict delineation of the tumor affected tissues. Herein, we focus on...
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DC and AC Conductivity, Biosolubility and Thermal Properties of Mg-Doped Na2O–CaO–P2O5 Glasses
PublikacjaBioactive glasses have recently been extensively used to replace, regenerate, and repair hard tissues in the human body because of their ability to bond with living tissue. In this work, the effects of replacing Na2O with MgO on the electrical, biosolubility, and thermal properties of the target glass 10Na2O–60P2O5–30CaO (in mol%) were investigated. The electrical properties of the glasses were studied with the impedance spectroscopy...
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Impact of slow breathing on the blood pressure and subarachnoid space width oscillations in humans
PublikacjaThe aim of the study was to assess cardiac and respiratory blood pressure (BP) and subarachnoid space (SAS) width oscillations during the resting state for slow and fast breathing and breathing against inspiratory resistance. Experiments were performed on a group of 20 healthy volunteers (8 males and 12 females; age 25.3 ± 7.9 years; BMI = 22.1 ± 3.2 kg/m2). BP and heart rate (HR) were measured using continuous finger-pulse photoplethysmography....
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Novel molecules containing structural features of NSAIDs and 1,2,3-triazole ring: Design, synthesis and evaluation as potential cytotoxic agents
PublikacjaFor the first time the template containing structural features of more than one NSAIDs and the 1,2,3-triazole ring was explored for the identification of potential cytotoxic agents. These new and complex molecules were predicted to be effective inhibitors of PDE4B by molecular modelling studies in silico. The multi-step synthesis of these compounds were carried out starting from the well-known drug nimesulide and involved the use...
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Mitigating the seismic pounding of multi-story buildings in series using linear and nonlinear fluid viscous dampers
PublikacjaSeismic-induced pounding between adjacent buildings may have serious consequences, ranging from minor damage up to total collapse. Therefore, researchers try to mitigate the pounding problem using different methods, such as coupling the adjacent buildings with stiff beams, connecting them by using viscoelastic links, and installing damping devices in each building individually. In the current paper, the effect of using linear and...
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Physicochemical properties of Mn1.45Co1.45Cu0.1O4 spinel coating deposited on the Crofer 22 H ferritic steel and exposed to high-temperature oxidation under thermal cycling conditions
PublikacjaThe Crofer 22 H ferritic steel substrate was coated with an Mn1.45Co1.45Cu0.1O4 spinel by means of electrophoresis. After high-temperature oxidation under thermal cycling conditions, the physicochemical properties of the obtained system were evaluated. During 48-h cycles that involved heating the samples up to temperatures of either 750 or 800 °C, the oxidation kinetics of both coated and unmodified steel approximately obeyed...
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Degradation of tetracycline antibiotic utilizing light driven-activated oxone in the presence of g-C3N4/ZnFe LDH binary heterojunction nanocomposite
PublikacjaIn the present study, a binary heterojunction nanocomposite composed of graphitic carbon nitride (g-C3N4) and Zn/Fe-contained layered double hydroxide (ZnFe LDH) was employed as heterogeneous catalyst for the decomposition of tetracycline (TC) antibiotic utilizing Oxone and UV light irradiation. The sole use of g-C3N4/ZnFe LDH as adsorbent led to the negligible elimination of TC. In addition, the sole use of Oxone or UV (photolysis)...
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Rapid Variable-Resolution Parameter Tuning of Antenna Structures Using Frequency-Based Regularization and Sparse Sensitivity Updates
PublikacjaGeometry parameter tuning is an inherent part of antenna design process. While most often performed in a local sense, it still entails considerable computational expenses when carried out at the level of full-wave electromagnetic (EM) simulation models. Moreover, the optimization outcome may be impaired if good initial design is not available. This paper proposes a novel approach to fast and improved-reliability gradient-based...
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Mercury content in beetroot and beetroot-based dietary supplements
PublikacjaTotal mercury (THg) concentrations in fifty-four beetroot-based DSs and seven lots of conventional and organic beetroots (divided into unpeeled, peeled, and skins) were determined by direct thermal decomposition-gold amalgamation cold vapour atomic absorption spectrometry. The analytical procedure was optimised and validated. The recovery (%) for Hg was 101.9 and 92.73 in BCR-463 and DOLT 4, respectively. The intermediate precision...
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Cathodic Protection System of the Spiral Classifier at the KGHM Polska Miedź S.A. Ore Concentration Plant—Case Study of Commissioning and Control of Operating Parameters
PublikacjaThe project involved designing, constructing and commissioning a cathodic protection system for a selected spiral classifier operating at the KGHM Polska Miedź S.A. Ore Concentration Plant (O/ZWR). The authors developed a concept and assumptions regarding the corrosion protection of a large industrial device using a cathodic protection system with an external power source. Pre-project studies included conducting a trial polarization...
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Stream Reasoning to Improve Decision-Making in Cognitive Systems
PublikacjaABSTRACT Cognitive Vision Systems have gained a lot of interest from industry and academia recently, due to their potential to revolutionize human life as they are designed to work under complex scenes, adapting to a range of unforeseen situations, changing accordingly to new scenarios and exhibiting prospective behavior. The combination of these properties aims to mimic the human capabilities and create more intelligent and efficient...
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Plant-based meat substitute analysis using microextraction with deep eutectic solvent followed by LC-MS/MS to determine acrylamide, 5-hydroxymethylfurfural and furaneol
PublikacjaFor the analysis of plant-based meat substitutes and the determination of Maillard reaction products such as acrylamide, 5-hydroxymethylfurfural and furaneol, a novel and effective procedure based on hydrophobic natural deep eutectic solvent and liquid chromatography coupled with tandem mass spectrometry was developed for the first time. The 49 compositions of the deep eutectic solvents were designed and screened to select the...
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Pharmaceuticals wastewater treatment via different advanced oxidation processes: Reaction mechanism, operational factors, toxicities, and cost evaluation – A review
PublikacjaPharmaceuticals comprises different drugs used for treating different infections in human being and animals. The huge quantities of pharmaceuticals used are found to discharge into different water resources and cause different health and environmental problems. The continuous and large-scale discharge of pharmaceuticals increases their persistency which can consequently make them more toxic. The different advanced oxidation processes...
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CHEMOTHERAPY-MEDIATED COMPLICATIONS OF WOUND HEALING. AN UNDERSTUDIED SIDE EFFECT
PublikacjaSignificance: Chemotherapy is a primary method to treat cancer, but while cytotoxic drugs are designed to target rapidly dividing cancer cells, they can also affect other cell types, including dermal cells and macrophages involved in wound healing, which often leads to the development of chronic wounds. The situation becomes even more severe when chemotherapy is combined with surgical tumor excision. Recent advances: Despite its...
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High Signal Resolution Pulse Oximetry as a Prognostic Indicator of Radiotherapy Toxicity: A Pilot Study
PublikacjaIntroduction: Radiotherapy plays a prominent role in the multidisciplinary treatment of cancers. Despite new irradiation techniques, radiation-induced cardiotoxicity remains a leading cause of morbidity and mortality. Therefore, prognostic indicators of radiotherapy toxicity are essential. This study aimed to investigate the influence of applied radiotherapy on the pulse wave recording and thereby on...
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Impressions about people with intellectual disability of Polish high school students who participated in a workshop led by self-advocates
PublikacjaThe research question is whether participation in a two-session workshop led by self-advocates with mild intellectual disability, supported by professional staff, affects high school students’ impression of people with intellectual disability, measured by a self-report questionnaire based on a semantic differential. The study was paper-pencil questionnaire-based and anonymous, conducted in Warsaw, Poland. Three measurements...
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Segmentation of academic community for the purposes of mobility plan development – case study of Gdansk University of Technology
PublikacjaThe objective of the paper is to analyse the structure of academic community for its transport behaviour and attitudes using the example of the Gdansk University of Technology (the GUT) in Poland. Once understood, the group can be divided into homogenous sub-groups and studied for their potential and ways to influence their behaviour, attitudes and transport patterns. The results may be used to develop dedicated actions designed...
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Network effects—do they matter for digital technologies diffusion?
PublikacjaPurpose The main research target of this paper is to capture the network effects using the case of mobile cellular telephony, identified in European telecommunication markets, and its determinants enhancing the process of digital technologies diffusion. Design/methodology/approach This research relies on panel and dynamic panel regression analysis. The empirical sample covers 30 European countries, and the period for the analysis...
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Application of mechanistic and data-driven models for nitrogen removal in wastewater treatment systems
PublikacjaIn this dissertation, the application of mechanistic and data-driven models in nitrogen removal systems including nitrification and deammonification processes was evaluated. In particular, the influential parameters on the activity of the Nitrospira activity were assessed using response surface methodology (RSM). Various long-term biomass washout experiments were operated in two parallel sequencing batch reactor (SBR) with a different...
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Impact of AlphaFold on structure prediction of protein complexes: The CASP15‐CAPRI experiment
PublikacjaWe present the results for CAPRI Round 54, the 5th joint CASP-CAPRI protein assembly prediction challenge. The Round offered 37 targets, including 14 homodimers, 3 homo-trimers, 13 heterodimers including 3 antibody–antigen complexes, and 7 large assemblies. On average 70 CASP and CAPRI predictor groups, including more than 20 automatics servers, submitted models for each target. A total of 21 941 models submitted by these groups...
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Direct determination of paraquat herbicide by square-wave voltammetry by two-step transfer mechanism at heterogeneous boron-doped carbon nanowall electrodes
PublikacjaBoron-doped carbon nanowalls (B:CNW) versus boron-doped diamond (BDD) materials were investigated for the effective electrochemical detection of highly toxic herbicide paraquat (PQ). Depending on the surface morphology and functional groups of BDD and B:CNWs, the electrochemical absorption and detection of the target analyte PQ revealed different detection mechanisms. The surface absorption mechanism was mainly observed for BDD,...
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Development and experimental validation of a novel double-stage yield steel slit damper-buckling restrained brace
PublikacjaThis research is focused on the development and experimental validation of a novel double-stage yield steel slit damper-buckling restrained brace (SSD-DYB) system designed for seismic resistance of steel structures. The SSD-DYB integrates the energy dissipation capability of a steel slit damper (SSD) in its initial segment, enhancing performance in the case of lower seismic intensities levels while employing a larger segment for...
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The effects of the IM1-12Br ionic liquid and the oxytetracycline mixture on selected marine and brackish microorganisms
PublikacjaThe number of applications and commercialized processes utilizing ionic liquids has been increasing, and it is anticipated that this trend will persist and even intensify in the future. Ionic liquids possess desirable characteristics, such as low vapor pressure, good water solubility, amphiphilicity, and stability. Nevertheless, these properties can influence their environmental behavior, resulting in resistance to biotic and abiotic...
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Metabolic transformation of antitumor acridinone C-1305 but not C-1311 via selective cellular expression of UGT1A10 increases cytotoxic response: implications for clinical use.
PublikacjaThe acridinone derivates C-1305 and C-1311 are promising antitumor agents with high activity against several experimental cellular and tumor models and which are under evaluation in pre-clinical and early phase clinical trials. Recent evidence from our laboratories has indicated that both compounds were conjugated by several UGT isoforms with the most active being extrahepatic UGT1A10. The present studies were designed to test...
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Mechanisms of azole resistance among clinical isolates of Candida glabrata in Poland
PublikacjaCandida glabrata is currently ranked as the second most frequently isolated aetiological agent of human fungal infections, next only to Candida albicans. In comparison with C. albicans, C. glabrata shows lower susceptibility to azoles, the most common agents used in treatment of fungal infections. Interestingly, the mechanisms of resistance to azole agents in C. albicans have been much better investigated than those in C. glabrata....
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The role of glucuronidation in drug resistance
PublikacjaThe final therapeutic effect of a drug candidate, which is directed to a specific molecular target strongly depends on its absorption, distribution, metabolism and excretion (ADME). The disruption of at least one element of ADME may result in serious drug resistance. In this work we described the role of one element of this resistance: phase II metabolism with UDP-glucuronosyltransferases (UGTs). UGT function is the transformation...
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Knowledge management in the IPv6 migration process
PublikacjaThere are many reasons to deploy IPv6 protocol with IPv4 address space depletion being the most obvious. Unfortunately, migration to IPv6 protocol seems slower than anticipated. To improve pace of the IPv6 deployment, authors of the article developed an application that supports the migration process. Its main purpose is to help less experienced network administrators to facilitate the migration process with a particular target...
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Phenotypic consequences of the LYS4 gene disruption in Candida albicans
PublikacjaThe main scientific purpose of our studies was to verify the hypothesis that homoaconitase (HA) from Candida albicans, an enzyme catalyzing a second step of the α-aminoadipate pathway (AAP) of L-Lys biosynthesis may become a new target for antifungal chemotherapy. Previous studies indicated that the A. fumigatus mutant lacking the functional lysF gene, encoding HA, exhibited attenuated virulence in a low-dose mouse infection model...
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Dynamics of algae growth and nutrients in experimental enclosures culturing bighead carp and common carp: Phosphorus dynamics
PublikacjaThis is the third paper of the series about “Dynamics of algae growth and nutrients in experimental enclosures culturing bighead carp and common carp”. In this paper, phosphorus dynamics were investigated under the condition of culturing bighead carp and common carp with added fish food (nitrogen dynamics is discussed in the second paper because their behaviors are so different from each other). Nearly fifty days’ observation results...
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Modeling of medium flow processes in transportation pipelines - the synthesis of their state-space models and the analysis of the mathematical properties of the models for leak detection purposes
PublikacjaThe dissertation concerns the issue of modeling the pipeline flow process under incompressible and isothermal conditions, with a target application to the leak detection and isolation systems. First, an introduction to the model-based process diagnostics is provided, where its basic terminology, tools, and methods are described. In the following chapter, a review of the state of the art in the field of leak detection and isolation...
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In vivoevaluation of the CB1allosteric modulator LDK1258 reveals CB1-receptor independent behavioral effects
PublikacjaIn the present study, we examined whether LDK1258, which produces strong CB1receptor allosteric effects ininvitroassays, would elicitin vivoeffects consistent with allosteric activity. In initial studies, LDK1258 reducedfood consumption and elicited delayed antinociceptive effects in the chronic constrictive injury of the sciaticnerve (CCI) model of neuropathic pain, which unexpectedly emerged 4 h post-injection. UPLC-MS/MS analysisquantified...
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Cyclodextrin polymers as efficient adsorbents for removing toxic non-biodegradable pimavanserin from pharmaceutical wastewaters
PublikacjaPresence of even small amount of active pharmaceutical ingredients in the environment carries risks tohuman and animal health, presenting an important issue. The paper presents issues related to the newdrug - pimavanserin (PMV). Biological treatment efficiency of pimavanserin (PMV) was evaluated usinglab-scale Sequencing Batch Reactor (SBR). It has been shown to have a negative effect on aquatic or-ganisms by classifying it as...
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Physicochemical and Mechanical Performance of Freestanding Boron-Doped Diamond Nanosheets Coated with C:H:N:O Plasma Polymer
PublikacjaThe physicochemical and mechanical properties of thin and freestanding heavy boron-doped diamond (BDD) nanosheets coated with a thin C:H:N:O plasma polymer were studied. First, diamond nanosheets were grown and doped with boron on a Ta substrate using the microwave plasma-enhanced chemical vapor deposition technique (MPECVD). Next, the BDD/Ta samples were covered with nylon 6.6 to improve their stability in harsh environments and...
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Design, synthesis and high antitumor potential of new unsymmetrical bisacridine derivatives towards human solid tumors, specifically pancreatic cancers and their unique ability to stabilize DNA G-quadruplexes
PublikacjaNew promising unsymmetrical bisacridine derivatives (UAs), have been developed. Three groupsincluding 36 compounds were synthesized by the condensation of 4-nitro or 4-methylacridinone, imi-dazoacridinone and triazoloacridinone derivatives with 1-nitroacridine compounds linked with anaminoalkyl chain. Cytotoxicity screening revealed the high potency of these compounds against severaltumor cell lines. Particularly, imidazoacridinone-1-nitroacridine...
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Improved-Efficacy Optimization of Compact Microwave Passives by Means of Frequency-Related Regularization
PublikacjaElectromagnetic (EM)-driven optimization is an important part of microwave design, especially for miniaturized components where the cross-coupling effects in tightly arranged layouts make traditional (e.g., equivalent network) representations grossly inaccurate. Efficient parameter tuning requires reasonably good initial designs, which are difficult to be rendered for newly developed structures or when re-design for different operating...
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PAYMENT TRANSACTIONS’ ENERGY EFFICIENCY
PublikacjaThe payment system and infrastructure is a sector that is not given enough attention today in the context of energy efficiency. This sector plays a big role in organizing and ensuring money circulation and funds. It has its value consisting on the one hand of the cost of payment equipment, infrastructure, payment instruments. On other hand, its value consists of the cost of energy for their manufacture and maintenance. The European...
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Global Design Optimization of Microwave Circuits Using Response Feature Inverse Surrogates
PublikacjaModern microwave design has become heavily reliant on full-wave electromagnetic (EM) simulation tools, which are necessary for accurate evaluation of microwave components. Consequently, it is also indispensable for their development, especially the adjustment of geometry parameters, oriented towards performance improvement. However, EM-driven optimization procedures incur considerable computational expenses, which may become impractical...
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Antifungal Effect of Penicillamine Due to the Selective Targeting of L-Homoserine O-Acetyltransferase
PublikacjaDue to the apparent similarity of fungal and mammalian metabolic pathways, the number of established antifungal targets is low, and the identification of novel ones is highly desirable. The results of our studies, presented in this work, indicate that the fungal biosynthetic pathway of L-methionine, an amino acid essential for humans, seems to be an attractive perspective. The MET2 gene from Candida albicans encoding L-homoserine...
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Online Volatile Compound Emissions Analysis Using a Microchamber/Thermal Extractor Coupled to Proton Transfer Reaction-Mass Spectrometry
PublikacjaIndoor air is a complex and dynamic mixture comprising manifold volatile organic compounds (VOCs) that may cause physiological and/or psychological discomfort, depending on the nature of exposure. This technical note presents a novel approach to analyze VOC emissions by coupling a microchamber/thermal extractor (μ-CTE) system to a proton transfer reaction-mass spectrometer (PTR-MS). This configuration provides an alternative to...
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Segmentation Quality Refinement in Large-Scale Medical Image Dataset with Crowd-Sourced Annotations
PublikacjaDeployment of different techniques of deep learning including Convolutional Neural Networks (CNN) in image classification systems has accomplished outstanding results. However, the advantages and potential impact of such a system can be completely negated if it does not reach a target accuracy. To achieve high classification accuracy with low variance in medical image classification system, there is needed the large size of the...
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Amberlyst-15 catalysed synthesis of novel indole derivatives under ultrasound irradiation: Their evaluation as serotonin 5‑HT2C receptor agonists
PublikacjaA series of indole based novel Schiff bases was designed as potential agonists of 5‑HT2C receptor that was supported by docking studies in silico. These compounds were synthesized via Amberlyst-15 catalysed condensation of an appropriate pyrazole based primary amine with the corresponding indole-3-aldehyde under ultrasound irradiation at ambient temperature. A number of target Schiff bases were obtained...
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Emerging strategies for enhancing detection of explosives by artificial olfaction
PublikacjaExplosives detection systems need to be able to reliably detect a wide range of explosive materials and their vapours. The continued development and improvement of artificial olfaction techniques, including electronic nose (EN), remains important to overcome existing challenges and meet requirements posed by new improvements in the field of explosives. There is an increasingly popular trend aimed at improvement of fundamental metrological...
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Approximation algorithms for job scheduling with block-type conflict graphs
PublikacjaThe problem of scheduling jobs on parallel machines (identical, uniform, or unrelated), under incompatibility relation modeled as a block graph, under the makespan optimality criterion, is considered in this paper. No two jobs that are in the relation (equivalently in the same block) may be scheduled on the same machine in this model. The presented model stems from a well-established line of research combining scheduling theory...
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Zarządzanie zapasami dla praktyków
PublikacjaDążenie do redukcji zapasów jest naturalnym trendem wszystkich przedsiębiorstw dbających o dostęp do tzw. wolnej gotówki. 11 lat prowadzonych przeze mnie obserwacji w toku realizowanych kilkuset projektów wskazuje, że tylko ok 0,5% przedsiębiorstw (w danym momencie) nie zajmuje się pracą nad obniżeniem zapasów. Jak ta redukcja zapasów zazwyczaj się odbywa? Szef stawia cel swojemu zespołowi: „dziś rotacja naszego zapasu...
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The Ellenbogen's “Matter as Software” Concept for Quantum Computer Implementation. C60 and X@C60 Molecules as Available Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Quantum Computing Devices
PublikacjaThe TBN bottom-up strategy of building quantum devices from C60 and X@C60 MBBs is proposed as an extension of the Ellenbogen's “Matter as Software” idea to quantum information processing. The capped SW or DW CNT STM tip is considered as device for manipulating C60 and X@C60 molecules. In this article, the possibility of using easily available on the market C60 Fullerene and endohedral X@C60 molecules together with commercial CNT...
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Beyond Antioxidant Activity: Redox Properties of Catechins May Affect Changes in the DNA Methylation Profile—The Example of SRXN1 Gene
PublikacjaThe role of catechins in the epigenetic regulation of gene expression has been widely studied; however, if and how this phenomenon relates to the redox properties of these polyphenols remains unknown. Our earlier study demonstrated that exposure of the human colon adenocarcinoma HT29 cell line to these antioxidants affects the expression of redox-related genes. In particular, treatment with (−)-epigallocatechin (EGC) downregulated...