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Search results for: ION MOLECULAR RECOGNITION
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Nuclear Magnetic Resonance data for the synthesis of esterase cleavable antifungal conjugates containing fatty acids as molecular carriers
Open Research DataNMR data for novel organic compounds - conjugates composed of C2-18 fatty acid (FA) residues as a molecular carrier and 5-fluorocytosine (5-FC) as an active agent, released upon the action of intracellular esterases on the ester bond between FA and “trimethyl lock” intramolecular linker.
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Buzz-based recognition of the honeybee colony circadian rhythm
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Recognition Dynamics of Cancer Mutations on the ERp57-Tapasin Interface
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Gait Recognition: A Challenging Task for MEMS Signal Identification
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Machine learning applied to bi-heterocyclic drugs recognition
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Automatic Image and Speech Recognition Based on Neural Network
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Audiovisual speech recognition for training hearing impaired patients
PublicationPraca przedstawia system rozpoznawania izolowanych głosek mowy wykorzystujący dane wizualne i akustyczne. Modele Active Shape Models zostały wykorzystane do wyznaczania parametrów wizualnych na podstawie analizy kształtu i ruchu ust w nagraniach wideo. Parametry akustyczne bazują na współczynnikach melcepstralnych. Sieć neuronowa została użyta do rozpoznawania wymawianych głosek na podstawie wektora cech zawierającego oba typy...
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Mutual recognition of certification systems: The case of SERMO and ACLES
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Towards Recognition of Spatial Relations between Entities for Polish
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Evaluation of Knowledge-Based Recognition of Spatial Expressions for Polish
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Camera-based Automatic System for Tool Measurements and Recognition
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Multidimensional Scaling Analysis Applied to Music Mood Recognition
PublicationThe paper presents two experiments aimed at categorizing mood associated with music. Two parts of a listening test were designed and carried out with a group of students, most of whom where users of online social music services. The initial experiment was designed to evaluate the extent to which a given label describes the mood of the particular music excerpt. The second subjective test was conducted to collect the similarity data...
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A Framework for Training and Testing of Complex Pattern Recognition Systems
PublicationW pracy przedstawiono szkielet aplikacji stworzony po to, by uprościć konstruowanie systemów rozpoznawania obrazów oraz zapewnić środowisko testowe umożliwiające ocenę algorytmów przy użyciu dużych zestawów danych. Jasno zdefiniowana architektura wraz z wieloma gotowymi do użycia modułami pozwala skoncentrować się na implementacji najważniejszych algorytmów. Szkielet wspiera tworzenie modułów, który mogą być wielokrotnie używane,...
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Buzz-based recognition of the honeybee colony circadian rhythm
PublicationHoneybees are one of the highly valued pollinators. Their work as individuals is appreciated for crops pollination and honey production. It is believed that work of an entire bee colony is intense and almost continuous. The goal of the work presented in this paper is identification of bees circadian rhythm with a use of sound-based analysis. In our research as a source of information on bee colony we use their buzz that have been...
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Recognition of input items to the logistic operations in accommodation services
PublicationIn this study the authors set themselves the aim to analyze the elements of the entrance to the accommodation services in terms of logistics. Therefore, providers of this type of services were examined. This allowed to carry out analyses also with including the variety of accommodation services
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Versatile pattern recognition system based on Fisher criterion
PublicationZaprezentowano system rozpoznawania obrazów w postaci bitmap. Zaimplementowany algorytm ekstrakcji cech jest uniwersalny i może być używany do różnych obrazów. Cały system bazuje na kryterium Fishera.
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Automatic recognition of the arterial input function in MRI studies
PublicationArtykuł prezentuje opis automatycznej metody detekcji tętniczej funkcji wejście (AIF). Metoda została porównana z klinicznie pomierzonymi seriami obrazów DSC-MRI.
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Silicon oxycarbide ceramics as anodes for lithium ion batteries: influence of carbon content on lithium storage capacity
PublicationWe report here on the synthesis and characterization of silicon oxycarbide (SiOC) in view of its application as a potential anode material for Li-ion batteries. SiOC ceramics are obtained by pyrolysis of various polysiloxanes synthesized by sol–gel methods. The polysiloxanes contain different organic groups attached to silicon, which influence the chemical composition and the microstructure of the final ceramic product. The structure...
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Molecular targets for antifungals in amino acid and protein biosynthetic pathways
PublicationFungi cause death of over 1.5 million people every year, while cutaneous mycoses are among the most common infections in the world. Mycoses vary greatly in severity, there are long-term skin (ringworm), nail or hair infections (tinea capitis), recurrent like vaginal candidiasis or severe, life-threatening systemic, multiorgan infections. In the last few years, increasing importance is attached to the health and economic problems...
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Molecular Dynamics simulations of thermal conductivity of penta-graphene
PublicationThe thermal conductivity of penta-graphene (PG), a new two dimensional carbon allotrope and its dependence on temperature, strain, and direction are studied in this paper. The thermal conductivity of PG is investigated using a non-equilibrium molecular dynamics simulation (NEMD) with the Two Region Method by applying the optimized Tersoff interatomic potential. Our study shows that the thermal conductivity of PG (determined for...
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Anisotropic mechanical behavior and auxeticity of penta-graphene: Molecular statics/molecular dynamics studies
PublicationWe investigate the mechanical properties of penta-graphene (PG), a recently proposed two-dimensional carbon allotrope using atomistic simulation techniques combined with the empirical description of interatomic interactions. We report on the dependence of its three in-plane mechanical moduli (i.e. Young's modulus, Poisson's ratio and shear modulus) on the deformation direction, strain and temperature. We show that PG displays a...
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Molecular aspects of the interaction between amphotericin B and a phospholipid bilayer: molecular dynamics studies.
PublicationAmfoterycyna B jest antybiotykiem z grupy polienów makrolidowych. Stosowany jest on w leczeniu układowych infekcji grzybowych. Wiadomo że związek ten oddziałuje ze składnikami błon lipidowych i tworzy kanały. W przedstawianej pracy prezentowane są wyniki symulacji przeprowadzonej dynamiką molekularną układu składającego się z 200 cząsteczek lipidów DMPC i jednej cząsteczki amfoterycyny ułożonej na powierzchni błony. Z przeprowadzonej...
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Encapsulation of Amikacin into Microparticles Based on Low-Molecular-Weight Poly(lactic acid) and Poly(lactic acid-co-polyethylene glycol)
PublicationThe aim of this study was to fabricate novel microparticles (MPs) for efficient and long-term delivery of amikacin (AMI). The emulsification method proposed for encapsulating AMI employed low-molecular-weight poly(lactic acid) (PLA) and poly(lactic acid-co-polyethylene glycol) (PLA−PEG), both supplemented with poly(vinyl alcohol) (PVA). The diameters of the particles obtained were determined as less than 30 μm. Based on an in-vitro...
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Jan Franz dr hab.
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Mangiferin Affects Melanin Synthesis by an Influence on Tyrosinase: Inhibition, Mechanism of Action and Molecular Docking Studies
PublicationMangiferin is a strong antioxidant that presents a wide range of biological activities. The aim of this study was to evaluate, for the first time, the influence of mangiferin on tyrosinase, an enzyme responsible for melanin synthesis and the unwanted browning process of food. The research included both the kinetics and molecular interactions between tyrosinase and mangiferin. The research proved that mangiferin inhibits tyrosinase...
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ACTA PHYSICA HUNGARICA SERIES A: HEAVY ION PHYSICS
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Lizi Jiaohuan Yu Xifu/Ion Exchange and Adsorption
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Structure of liquid gold from tight-binding driven molecular-dynamics
PublicationPraca przedstawia wyniki symulacji ciekłego złota w nadkomórce periodycznej przy użyciu stworzonego przez autorów programu komputerowego, za pomocą połączonych metod dynamiki molekularnej (MD) i ciasnego wiązania (TB). Omówiono strukturę tak symulowanej cieczy, porównując ją z dostępnymi danymi doświadczalnymi oraz wynikami innych symulacji, pod kątem radialnej i kątowej funkcji rozkładu i elektronowej gęstości stanów.A tight-binding...
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Same but different — Molecular comparison of human KTI12 and PSTK
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Molecular dynamics simulations of the growth of poly(chloro-para-xylylene) films
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The molecular mechanism of genistein action in lysosomal storage diseases: A transcriptomic approach
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Advances in Atomic and Molecular Spectroscopy
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Molecular Simulations of Rhodopsin Tetrameter
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Molecular detection of Candida krusei
PublicationThe species identification of fungi belonging to genus Candida is an important issue as this genus becomes the emerging problem of nosocomial infections. As Candida krusei presents intrinsicresistance to the fluconazole that is the drug of the first choice in case of invasive candidiasis the PCR identifying the DNA of C. krusei was elaborated. The analytical sensitivity of the assay on spiked blood samples was estimated at 3-5...
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Application of ion chromatography with pulsed amperometric detection for the determination of trace cyanide in biological samples, including breast milk
PublicationCyanide (CN) is the biomarker of exposure to the components of tobacco smoke, although its presence in biological samples is also due to the consumption of products containing cyanogenic glycosides. In this work, we determine the concentration of the free cyanide in urine, saliva and breast milk matrices, using ion chromatography with pulsed amperometric detection (IC-PAD). IC-PAD is an emerging method, with only few documented...
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Molecular basis and quantitative assessment of TRF1 and TRF2 protein interactions with TIN2 and Apollo peptides
PublicationShelterin is a six-protein complex (TRF1, TRF2, POT1, RAP1, TIN2, and TPP1) that also functions in smaller subsets in regulation and protection of human telomeres. Two closely related proteins, TRF1 and TRF2, make high-affinity contact directly with double-stranded telomeric DNA and serve as a molecular platform. Protein TIN2 binds to TRF1 and TRF2 dimer-forming domains, whereas Apollo makes interaction only with TRF2. To elucidate...
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Investigation of sweet substances of different molecular structure by potentiometric taste sensor with all solid state electrodes
PublicationA five channel potentiometric taste sensor consisting of an array of All Solid State Electrodes (ASSESs) with different lipid-polymer membranes has been developed. The electrodes are constructed of glassy carbon discs with electrochemically deposited poly(3,4-ethylenedioxythiophene) (PEDOT) acting as ion to electron transducer. The outer layer of the electrode is lipid-polymer membrane. Lipid substances immobilized in PVC membranes...
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Free volume in physical absorption of carbon dioxide in ionic liquids: Molecular dynamics supported modeling
PublicationUnderstanding the mechanisms underlying the carbon dioxide (CO2) absorption in ionic liquids (ILs) is the key to their efficient utilization in industrial flue gas treatment. One of the parameters considered substantially important in the process is the Free Volume. In this study, the Fractional Free Volume (FFV) of 73 ILs was calculated using Molecular Dynamics (MD). A quantitative Structure-Property Relationship (QSPR) study...
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Hydration of amino acids: FTIR spectra and molecular dynamics studies
PublicationThe hydration of selected amino acids, alanine, glycine, proline, valine, isoleucine and phenylalanine, has been studied in aqueous solutions by means of FTIR spectra of HDO isotopically diluted in H2O. The difference spectra procedure and the chemometric method have been applied to remove the contribution of bulk water and thus to separate the spectra of solute-affected HDO. To support interpretation of obtained spectral results,...
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Application of Ion Exchangers in Speciation and Fractionation of Elements in Food and Beverages
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Understanding chlorophylls: Central magnesium ion and phytyl as structural determinants
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Kinetic Description of the Membrane–Solution Interface for Ion-Selective Electrodes
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Lead(II)-selective ionophores for ion-selective electrodes: A review
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Filled Carbon Nanotubes as Anode Materials for Lithium-Ion Batteries
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Excited-state proton transfer and geminate recombination in the molecular cage of β-cyclodextrin
PublicationExcited-state proton transfer and geminate recombination in aqueous heptakis(2,6-di-O-methyl)-β-cyclodextrin have been compared with those in water by monitoring the photoinduced prototropic tautomerization of 6-hydroxyquinoline, which occurs via forming anionic intermediate. Enol deprotonation decelerates by 18 times whereas its reverse process accelerates slightly with encapsulation. The imine protonation of the intermediate...
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Structural and dynamic changes adopted by EmrE, multidrug transporter protein—Studies by molecular dynamics simulation
PublicationEmrE protein transports positively charged aromatic drugs (xenobiotics) in exchange for two protons and thus provides bacteria resistance to variety of drugs. In order to understand how this protein may recognize ligands, the monomer and asymmetric apo-form of the EmrE dimer embedded in a heterogeneous phospholipid (POPE + POPG) membrane were studied by molecular dynamics simulations. Dimer is regarded as a functional form of the...
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Nano Tin/Tin Oxide Attached onto Graphene Oxide Skeleton as a Fluorine Free Anode Material for Lithium-Ion Batteries
PublicationHerein, we show a composite formation method of tin/tin oxide nanoparticles with graphene oxide and CMC based on laser ablation technique as an electrode material for energy storage devices. The material exhibited a three-dimensional conducting graphene oxide network decorated with tin or tin oxide nanoparticles. The structure, homogeneous distribution of nanoparticles, and direct contact between inorganic and organic parts were...
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Molecular Strategy for Survival at a Critical High Temperature in Eschierichia coli
PublicationThe molecular mechanism supporting survival at a critical high temperature (CHT) in Escherichia coli was investigated. Genome-wide screening with a single-gene knockout library provided a list of genes indispensable for growth at 47°C, called thermotolerant genes. Genes for which expression was affected by exposure to CHT were identified by DNA chip analysis. Unexpectedly, the former contents did not overlap with the latter except...
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Silicon oxycarbide-tin nanocomposite derived from a UV crosslinked single source preceramic precursor as high-performance anode materials for Li-ion batteries
PublicationIn this work, we report an innovative and facile UV light-assisted synthesis of a nanocomposite based on silicon oxycarbide (SiOC) and tin nanoparticles. SiOC ceramic matrix, containing a conductive free carbon phase, participates in lithium-ion storage, and buffers the volume changes of Li-alloying/de-alloying material. The reported synthesis procedure through a polymer-derived ceramic route involves the preparation of a single-source...
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Molecular dynamics simulations of the affinity of chitin and chitosan for collagen: the effect of pH and the presence of sodium and calcium cations
PublicationChitosan and chitin are promising biopolymers used in many areas including biomedical applications, such as tissue engineering and viscosupplementation. Chitosan shares similar properties with hyaluronan, a natural component of synovial fluid, making it a good candidate for joint disease treatment. The structural and energetic consequences of intermolecular interactions are crucial for understanding the biolubrication phenomenon...