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Search results for: ION MOLECULAR RECOGNITION
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Hydration of Simple Model Peptides in Aqueous Osmolyte Solutions
PublicationThe biology and chemistry of proteins and peptides are inextricably linked with water as the solvent. The reason for the high stability of some proteins or uncontrolled aggregation of others may be hidden in the properties of their hydration water. In this study, we investigated the effect of stabilizing osmolyte–TMAO (trimethylamine N-oxide) and destabilizing osmolyte–urea on hydration shells of two short peptides, NAGMA (N-acetyl-glycine-methylamide)...
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Genetic and Epigenetic Aspects of Atopic Dermatitis
PublicationAtopic dermatitis is a heterogeneous disease, in which the pathogenesis is associated with mutations in genes encoding epidermal structural proteins, barrier enzymes, and their inhibitors; the role of genes regulating innate and adaptive immune responses and environmental factors inducing the disease is also noted. Recent studies point to the key role of epigenetic changes in the development of the disease. Epigenetic modifications...
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Lower rim substituted p-tert-butyl-calix[4]arene. Part 17. synthesis, extractive and ionophoric properties of p-tert-butylcalix[4]arene appended with hydroxamix acid moieties
PublicationThe synthesis and characterization of four p-tert-butylcalix[4]arene-hydroxamic acidc are reported. The dependence of the metal ion binding, assessed by liquid extraction of the metal nitrates from water into dichloromethane in individual and competitive experiments, on the ligand structure, is presented. The results showed that those ligands could be successfully used in separation process of trnasition and heavy metals often...
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Investigation of rotational state-changing collisions of C2N− ions with helium
PublicationThe cross sections for rotational inelastic collisions between atoms and a molecular anion can be very large, if the anion has a dipole moment. This makes molecular anions very efficient in cooling atomic gases. We address rotational inelastic collisions of Helium atoms with the molecular anion C2N–. Here we present preliminary calculations of the potential energy surface.
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Storing Matter’technique in SIMS depth profile analysis
PublicationSecondary ion mass spectrometry (SIMS) is a very useful technique for the analysis of layered systems. It is based on the primary ion beam sputtering of solids and mass analysis of the emitted secondary ions. A main limitation of this technique results from the direct quantitative analysis, since the ionization efficiency of a given atom is highly influenced by the neighbouring atoms at the surface. This phenomenon is known as...
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Wykorzystanie sztucznych sieci neuronowych do wykrywania i rozpoznawania tablic rejestracyjnych na zdjęciach pojazdów
PublicationW artykule przedstawiono koncepcję algorytmu wykrywania i rozpoznawania tablic rejestracyjnych (AWiRTR) na obrazach cyfrowych pojazdów. Detekcja i lokalizacja tablic rejestracyjnych oraz wyodrębnienie z obrazu tablicy rejestracyjnej poszczególnych znaków odbywa się z wykorzystaniem podstawowych technik przetwarzania obrazu (przekształcenia morfologiczne, wykrywanie krawędzi) jak i podstawowych danych statystycznych obiektów wykrytych...
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A video monitoring system using ontology-driven identification of threats
PublicationIn this paper, we present a video monitoring systemthat leverages image recognition and ontological reasoningabout threats. In the solution, an image processing subsystemuses video recording of a monitored area and recognizesknown concepts in scenes. Then, a reasoning subsystem uses anontological description of security conditions and informationfrom image recognition to check if a violation of a conditionhas occurred. If a threat...
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FEEDB: A multimodal database of facial expressions and emotions
PublicationIn this paper a first version of a multimodal FEEDB database of facial expressions and emotions is presented. The database contains labeled RGB-D recordings of people expressing a specific set of expressions that have been recorded using Microsoft Kinect sensor. Such a database can be used for classifier training and testing in face recognition as well as in recognition of facial expressions and human emotions. Also initial experiences...
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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
PublicationFor 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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DMSO hydration redefined: Unraveling the hydrophobic hydration of solutes with a mixed hydrophilic–hydrophobic characteristic
PublicationHydrophobic hydration of solutes with a mixed hydrophilic--hydrophobic characteristics is still poorly understood. This is because both experimental and theoretical methods find it difficult to see the ice-like water structure around the nonpolar solute groups, unlike hydrogen bonds with the hydrophilic groups. In order to unravel this problem, we have investigated DMSO hydration by means of infrared spectroscopy and theoretical...
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Novel 2-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)-1-(1,3,5-triazin-2-ylamino)guanidine derivatives: Inhibition of human carbonic anhydrase cytosolic isozymes I and II and the transmembrane tumor-associated isozymes IX and XII, anticancer activity, and molecular modeling studies
PublicationA series of novel 2-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)-1-(6-substituted-4-chloro-1,3,5-triazin-2-ylamino)guanidine derivatives 9–20 have been synthesized by substitution of chlorine atom at the 1,3,5-triazine ring in compounds 5–8 with 3- or 4-aminobenzenesulfonamide and 4-(aminomethyl)benzenesulfonamide hydrochloride. All the synthesized compounds were evaluated for their inhibitory activity toward hCA I, II,...
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Ionization and ionic fragmentation of tetrahydrofuran molecules by electron collisions
PublicationElectron impact ionization and ionic fragmentation of tetrahydrofuran molecules in the gas phase were studied in the energy range from ionization threshold up to 150 eV using the technique of mass spectrometry. The cation mass spectra, ionization and ionic fragmentation efficiencies were measured over this energy range. Well-resolved mass peaks were detected in the mass range 10-72 amu and assigned to corresponding ionic molecular...
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Performance of electrochemical immunoassays for clinical diagnostics of SARS-CoV-2 based on selective nucleocapsid N protein detection: Boron-doped diamond, gold and glassy carbon evaluation
PublicationThe 21st century has already brought us a plethora of new threats related to viruses that emerge in humans after zoonotic transmission or drastically change their geographic distribution or prevalence. Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was first spotted at the end of 2019 to rapidly spread in southwest Asia and later cause a global pandemic, which paralyzes the world since then. We have designed novel...
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Towards New Mappings between Emotion Representation Models
PublicationThere are several models for representing emotions in affect-aware applications, and available emotion recognition solutions provide results using diverse emotion models. As multimodal fusion is beneficial in terms of both accuracy and reliability of emotion recognition, one of the challenges is mapping between the models of affect representation. This paper addresses this issue by: proposing a procedure to elaborate new mappings,...
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Development and evaluation of thermosensitive hydrogels with binary mixture of Scutellariae baicalensis radix extract and chitosan for periodontal diseases treatment.
PublicationScutellaria baicalensis root displays anti-inflammatory and antibacterial properties due to the presence of flavonoids, particularly baicalin, baicalein, and wogonin. Our work aimed at developing thermosensitive hydrogels containing a binary mixture of S. baicalensis radix lyophilized extract and chitosan as a novel approach for periodontal diseases treatment....
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Locust bean gum as green and water-soluble binder for LiFePO4 and Li4Ti5O12 electrodes
PublicationLocust Bean Gum (LBG, carob bean gum) was investigated as an environmentally friendly, natural, and water-soluble binder for cathode (LFP) and anode (LTO) in lithium-ion batteries (Li-ion). For the frst time, we show LBG as an electrode binder and compare to those of the most popular aqueous (CMC) and conventional (PVDF) binders. The electrodes were characterized using TGA/DSC, the galvanostatic charge–discharge cycle test, cyclic...
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Structural insights, biocatalytic characteristics, and application prospects of lignin-modifying enzymes for sustainable biotechnology
PublicationLignin modifying enzymes (LMEs) have gained widespread recognition in depolymerization of lignin polymers by oxidative cleavage. LMEs are a robust class of biocatalysts that include lignin peroxidase (LiP), manganese peroxidase (MnP), versatile peroxidase (VP), laccase (LAC), and dye-decolorizing peroxidase (DyP). Members of the LMEs family act on phenolic, non-phenolic substrates and have been widely researched for valorization...
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Endoscopic Videos Deinterlacing and On-Screen Text and Light Flashes Removal and Its Influence on Image Analysis Algorithms' Efficiency
PublicationIn this article, deinterlacing and removing on- screen text and light flashes methods on endoscopic video images are discussed. The research is intended to improve disease recognition algorithms' performance. In the article, four configurations of deinterlacing methods and another four configurations of text and flashes removal methods are described and examined. The efficiency of endoscopic video analysis algorithms is measured...
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Electrical properties of Na2O-CaO-P2O5 glasses doped with SiO2 and Si3N4
PublicationSodium-calcium-phosphate glasses doped with SiO2 or Si3N4 having similar sodium ion concentrations were prepared by melt quenching. The conductivity was measured by impedance spectroscopy under nitrogen atmosphere in a wide frequency range (10 mHz–1 MHz) and wide temperature range (153–473 K). At 36.6 °C, DC conductivities of all glasses vary between 1.1 ∗ 10−12 and 8.9 ∗ 10−12 S cm−1 and have similar activation energies (between...
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Electronic States of Tris(bipyridine) Ruthenium(II) Complexes in Neat Solid Films Investigated by Electroabsorption Spectroscopy
PublicationWe present the electric field-induced absorption (electroabsorption, EA) spectra of the solid neat films of tris(bipyridine) Ru(II) complexes, which were recently functionalized in our group as photosensitizers in dye-sensitized solar cells, and we compare them with the results obtained for an archetypal [Ru(bpy)3]2+ ion (RBY). We argue that it is difficult to establish a unique set of molecular parameter values by discrete parametrization...
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Interactions of protons with furan molecules studied by collision-induced emission spectroscopy at the incident energy range of 50–1000 eV
PublicationInvestigations of the ion-molecule reactions provide insight into many fields ranging from the stellar wind interaction with interstellar media, up to medicine and industrial applications. Besides the applications, the understanding of these processes is itself a problem of fundamental importance. Thus, interactions of protons with the gas-phase furan molecules have been investigated for the first time in the energy range of 50–1000...
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Communication: Inside the water wheel: Intrinsic differences between hydrated tetraphenylphosphonium and tetraphenylborate ions
PublicationTetraphenylphosphonium tetraphenylborate (TPTB) is a common reference electrolyte in physical chemistry of solutions allowing for a convenient partitioning of thermodynamic properties into single-ion contributions. Here, we compute on the basis of ab initio molecular dynamics simulations the infrared (IR) spectra for hydrated constituent ions of the TPTB assumption. Using spectral decomposition techniques, we extract important...
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Chromogenic macrocyclic derivatives of azoles - synthesis and properties,
PublicationNew azocrown ethers comprising imidazoles in the macrocycle have been synthesized. Imidazole, 2-methyl-, 4-methyl-, and 4-phenylimidazole were incorporated to form macrocyclic units by coupling with the appropriate bis-diazonium salts. The syntheseswere performed under high dilution conditions. The X-ray structure of a water adduct of the 21-membered crown ether derivative of 4-methylimidazole 8 has been solved. Metal...
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Synthesis and Spectroscopic Properties of New Bis-tetrazoles
PublicationSyntheses of N,N'-phenyltetrazole podands link with aliphatic chains containing oxygen, nitrogen and sulphur atoms, are described. The complexing properties of these compounds towards metal cations (Fe2+, Cu2+, Zn2+, Co2+, Ni2+) were investigated by absorption and infrared spectroscopy. The UV-Vis titrations were performed to estimate the stability constant values of the respective complexes with Cu2+ ion. Changes in UV-Vis absorption...
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Two bacterial small heat shock proteins, IbpA and IbpB, form a functional heterodimer
PublicationSmall heat shock proteins (sHsps) are a conserved class of ATP-independent chaperones which in stress conditions bind to unfolded protein substrates and prevent their irreversible aggregation. Substrates trapped in sHsps-containing aggregates are efficiently refolded into native structures by ATP-dependent Hsp70 and Hsp100 chaperones. Most γ-proteobacteria possess a single sHsp (IbpA), while in a subset of Enterobacterales, as...
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Removal of diphenols using pine biochar. Kinetics, equilibrium, thermodynamics, and mechanism of uptake
PublicationThermal pyrolysis synthesized activated biochar from the Pinus elliottii sawdust (PS) at 600° C. The obtained activated biochar (PB600) was used for the removal of three diphenols, catechol (CAT), resorcinol (RES), and hydroquinone (HYD), which are utilized mainly in different industries. The PB600 was characterized by several analytical techniques. The BET surface area of 1473 m2.g−1 and a total pore volume of 0.707 cm3 g−1 was...
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An electronic nose for quantitative determination of gas concentrations
PublicationThe practical application of human nose for fragrance recognition is severely limited by the fact that our sense of smell is subjective and gets tired easily. Consequen tly, there is considerable need for an instrument that can be a substitution of the human sense of smell. Electronic nose devices from the mid 1980s are used in growing number of applications. They comprise an array of several electrochemical gas sensors...
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Towards Emotion Acquisition in IT Usability Evaluation Context
PublicationThe paper concerns extension of IT usability studies with automatic analysis of the emotional state of a user. Affect recognition methods and emotion representation models are reviewed and evaluated for applicability in usability testing procedures. Accuracy of emotion recognition, susceptibility to disturbances, independence on human will and interference with usability testing procedures are...
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Serotonergic–Muscarinic Interaction within the Prefrontal Cortex as a Novel Target to Reverse Schizophrenia-Related Cognitive Symptoms
PublicationRecent studies revealed that the activation of serotonergic 5-HT1A and muscarinic M1, M4, or M5 receptors prevent MK-801-induced cognitive impairments in animal models. In the present study, the effectiveness of the simultaneous activation of 5-HT1A and muscarinic receptors at preventing MK-801-induced cognitive deficits in novel object recognition (NOR) or Y-maze tests was investigated. Activators of 5-HT1A (F15599), M1 (VU0357017),...
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Green TPUs from Prepolymer Mixtures Designed by Controlling the Chemical Structure of Flexible Segments
PublicationThis study concerns green thermoplastic polyurethanes (TPU) obtained by controlling the chemical structure of flexible segments. Two types of bio-based polyether polyols—poly(trimethylene glycol)s—with average molecular weights ca. 1000 and 2700 Da were used (PO3G1000 and PO3G2700, respectively). TPUs were prepared via a two-step method. Hard segments consisted of 4,4?- diphenylmethane diisocyanates and the bio-based 1,4-butanodiol...
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Enhanced voice user interface employing spatial filtration of signals from acoustic vector sensor
PublicationSpatial filtration of sound is introduced to enhance speech recognition accuracy in noisy conditions. An acoustic vector sensor (AVS) is employed. The signals from the AVS probe are processed in order to attenuate the surrounding noise. As a result the signal to noise ratio is increased. An experiment is featured in which speech signals are disturbed by babble noise. The signals before and after spatial filtration are processed...
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Video Semantic Analysis Framework based on Run-time Production Rules - Towards Cognitive Vision
PublicationThis paper proposes a service-oriented architecture for video analysis which separates object detection from event recognition. Our aim is to introduce new tools to be considered in the pathway towards Cognitive Vision as a support for classical Computer Vision techniques that have been broadly used by the scientific community. In the article, we particularly focus in solving some of the reported scalability issues found in current...
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Mixed conductivity in tungstenite-phosphate glasses containing alkali metal ions
PublicationThe conductivity of glasses in the 50WO3-(50-x)P2O5-xA2O (A = Na, K, Cs) system has been investigated as a function of composition. It is shown that in tungstenite-phosphate glasses containing different alkali metal ions the conductivity decreases with an increase in the alkali metal ion content. A decrease in conductivity is larger for heavier ions and reaches more than seven orders of magnitude in the case of glass containing...
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Analysis of Reconstituted Tripartite Complex Supports Avidity-based Recruitment of Hsp70 by Substrate Bound J-domain Protein
PublicationHsp70 are ubiquitous, versatile molecular chaperones that cyclically interact with substrate protein(s). The initial step requires synergistic interaction of a substrate and a J-domain protein (JDP) cochaperone, via its J-domain, with Hsp70 to stimulate hydrolysis of its bound ATP. This hydrolysis drives conformational changes in Hsp70 that stabilize substrate binding. However, because of the transient nature of substrate and JDP...
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Enzymatic cross-linking of β-lactoglobulin in solution and at air–water interface: Structural constraints
PublicationEffective and controlled use of cross-linking enzymes in structure engineering of food systems depends on characterization of the favorable conditions for enzyme-substrate complex and the limiting factors for the desired modification. In this respect, we analyzed the susceptibility of bovine β-lactoglobulin (BLG) to enzymatic cross-linking by Trichoderma reesei tyrosinase (TrTyr) and transglutaminase (TG). Changes in BLG molecular...
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The computational methods in the development of a novel multianalyte calibration technique for potentiometric integrated sensors systems
PublicationIn recent years, integration and miniaturization of ion-selective electrodes (ISEs) have brought many benefits resulting in the possibility of simultaneous determination of the ions concentration in small volume samples. One of the key problems related to the preparation of potentiometric integrated sensors systems (PISSs) is a calibration procedure due to the necessity to calibrate each particular sensor separately. The main aim...
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KORPUS MOWY ANGIELSKIEJ DO CELÓW MULTIMODALNEGO AUTOMATYCZNEGO ROZPOZNAWANIA MOWY
PublicationW referacie zaprezentowano audiowizualny korpus mowy zawierający 31 godzin nagrań mowy w języku angielskim. Korpus dedykowany jest do celów automatycznego audiowizualnego rozpoznawania mowy. Korpus zawiera nagrania wideo pochodzące z szybkoklatkowej kamery stereowizyjnej oraz dźwięk zarejestrowany przez matrycę mikrofonową i mikrofon komputera przenośnego. Dzięki uwzględnieniu nagrań zarejestrowanych w warunkach szumowych korpus...
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The Interaction of Heptakis (2,6-di-O-Methyl)-β-Cyclodextrin with Mianserin Hydrochloride and Its Influence on the Drug Toxicity
PublicationOne tetracyclic antidepressant, mianserin hydrochloride (MIA), has quite significant side effects on a patients’ health. Cyclodextrins, which are most commonly used to reduce the undesirable features of contained drugs within their hydrophobic interior, also have the potential to alter the toxic behavior of the drug. The present paper contains investigations and the characteristics of interaction mechanisms for MIA and the heptakis...
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The Effect of Conjugation with Octaarginine, a Cell-Penetrating Peptide on Antifungal Activity of Imidazoacridinone Derivative
PublicationAcridine cell-penetrating peptide conjugates are an extremely important family of compounds in antitumor chemotherapy. These conjugates are not so widely analysed in antimicrobial therapy, although bioactive peptides could be used as nanocarriers to smuggle antimicrobial compounds. An octaarginine conjugate of an imidazoacridinone derivative (Compound 1-R8) synthetized by us exhibited high antifungal activity against reference...
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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublicationAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
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The project IDENT: Multimodal biometric system for bank client identity verification
PublicationBiometric identity verification methods are implemented inside a real banking environment comprising: dynamic handwritten signature verification, face recognition, bank cli-ent voice recognition and hand vein distribution verification. A secure communication system based on an intra-bank client-server architecture was designed for this purpose. Hitherto achieved progress within the project is reported in this paper with a focus...
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Geometric Algebra Model of Distributed Representations
PublicationFormalism based on GA is an alternative to distributed representation models developed so far-Smolensky's tensor product, Holographic Reduced Representations (HRR) and Binary Spatter Code (BSC). Convolutions are replaced by geometric products, interpretable in terms of geometry which seems to be the most natural language for visualization of higher concepts. This paper recalls the main ideas behind the GA model and investigates...
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DevEmo—Software Developers’ Facial Expression Dataset
PublicationThe COVID-19 pandemic has increased the relevance of remote activities and digital tools for education, work, and other aspects of daily life. This reality has highlighted the need for emotion recognition technology to better understand the emotions of computer users and provide support in remote environments. Emotion recognition can play a critical role in improving the remote experience and ensuring that individuals are able...
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Methodology for Text Classification using Manually Created Corpora-based Sentiment Dictionary
PublicationThis paper presents the methodology of Textual Content Classification, which is based on a combination of algorithms: preliminary formation of a contextual framework for the texts in particular problem area; manual creation of the Hierarchical Sentiment Dictionary (HSD) on the basis of a topically-oriented Corpus; tonality texts recognition via using HSD for analysing the documents as a collection of topically completed fragments...
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Relationship between Telomere Length, TERT Genetic Variability and TERT, TP53, SP1, MYC Gene Co-Expression in the Clinicopathological Profile of Breast Cancer
PublicationThe molecular mechanisms of telomerase reverse transcriptase (TERT) upregulation in breast cancer (BC) are complex. We compared genetic variability within TERT and telomere length with the clinical data of patients with BC. Additionally, we assessed the expression of the TERT, MYC, TP53 and SP1 genes in BC patients and in BC organoids (3D cell cultures obtained from breast cancer tissues). We observed the same correlation in the...
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PTD4 Peptide Increases Neural Viability in an In Vitro Model of Acute Ischemic Stroke
PublicationIschemic stroke is a disturbance in cerebral blood flow caused by brain tissue ischemia and hypoxia. We optimized a multifactorial in vitro model of acute ischemic stroke using rat primary neural cultures. This model was exploited to investigate the pro-viable activity of cell-penetrating peptides: arginine-rich Tat(49–57)-NH2 (R49KKRRQRRR57-amide) and its less basic analogue, PTD4 (Y47ARAAARQARA57-amide). Our model included glucose...
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Multicopy Suppressor Analysis of Strains Lacking Cytoplasmic Peptidyl-Prolyl cis/trans Isomerases Identifies Three New PPIase Activities in Escherichia coli That Includes the DksA Transcription Factor
PublicationConsistent with a role in catalyzing rate-limiting step of protein folding, removal of genes encoding cytoplasmic protein folding catalysts belonging to the family of peptidyl-prolyl cis/trans isomerases (PPIs) in Escherichia coli confers conditional lethality. To address the molecular basis of the essentiality of PPIs, a multicopy suppressor approach revealed that overexpression of genes encoding chaperones (DnaK/J and GroL/S),...
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Sensors integration in the smart home environment - a proposal to solve the problem with user identification
PublicationIn this preliminary study we, investigate the possibility of user recognition techniques suitable on smart home devices like chairs, beds, aiming for low–power, high accuracy and quick response time. We propose the two well know technique: voice speaker recognition and accelerometer signal from device mounted on the chair, and the third one optical system basing on IR LED transmitter/receiver circuit. The preliminary results proved...
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Artificial intelligence support for disease detection in wireless capsule endoscopy images of human large bowel
PublicationIn the work the chosen algorithms of disease recognition in endoscopy images were described and compared for theirs efficiency. The algorithms were estimated with regard to utility for application in computer system's support for digestive system's diagnostics. Estimations were achieved in an advanced testing environment, which was built with use of the large collection of endoscopy movies received from Medical University in Gdańsk....
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Recent advancements in molecularly imprinted polymers for the removal of heavy metal ions and dyes
PublicationContamination set off by highly toxic metal ions and dyes is a big threat to the environment and living beings. Various industries like metal plating, mining, pesticides, battery manufacturing, and dyeing release metal ions and toxic dyes directly into the water. It is necessary to remove these toxic substances from the environment. Molecular imprinting technology (MIT) got a lot of attention in the last two decades because of...