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Search results for: ION MOLECULAR RECOGNITION
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Molecular Medicine Reports
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MOLECULAR BIOLOGY OF THE CELL
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MOLECULAR GENETICS AND GENOMICS
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MOLECULAR CANCER THERAPEUTICS
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MOLECULAR AND BIOCHEMICAL PARASITOLOGY
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TRENDS IN MOLECULAR MEDICINE
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A cortex-like model for animal recognition based on texture using feature-selective hashing
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Calix[4]Arenes Appended with Thioamide Moieties as Powerful Tool for Heavy Metals Recognition
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Gas mixtures recognition using an array of amperometric gas sensors with drifting or faulty sensors
PublicationIn this study, the possibility of using selected methods for diagnostics of performance of matrix composed with six amperometric electrochemical gas sensors is investigated. Measurements of sensor responses in selected concentrations of single toxic gases or gas mixtures were performed and were repeated over time to show sensor drift. Additionally, the studies on the sensors’ drift were performed. The drift has been recognized...
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Structure recognition in MD-simulated materials: a case study of boroxyl rings in borate glasses
PublicationZanalizowano statystyczne właściwości geometryczne losowo deformowanej jednostki strukturalnej AC_3, gdzie trzy kationyC znajdują się w wierzchołkach trójkąta równobocznego, a anionA - w jego środku. W szczególności opisano rozkłady kątów AAA,ACA i CAA oraz dwóch estymatorów kształtu w funkcji amplitudydeformacji trójkąta. Wyniki analizy stochastycznej zastosowanodo ilościowej oceny stopnia nieuporządkowania w szkle B_2O_3,symulowanym...
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Virulence, antifungal susceptibility and molecular mechanisms of echinocandin resistance among Candida isolates recovered from clinical specimens
PublicationFungi of the genus Candida belong to the natural microflora of healthy individuals. However, they can also be a cause of opportunistic infections especially among patients with an impaired immune system. The first line therapy of Candida infections is based on triazoles. However, in recent years there an increase of azole resistant Candida spp., in particular C. glabrata and C. krusei, has been observed. For this reason, echinocandin...
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Rapid ion-exchange matrix removal for a decrease of detection limits in the analysis of salt-rich reservoir waters for fluorobenzoic acids by liquid chromatography coupled with tandem mass spectrometry
PublicationA matrix removal procedure with ion-exchange resin prior to analysis for 18 fluorinated benzoic acids (FBAs) tracers in saline (>25% salt) reservoir water was optimized. The elimination of >98% of salt and the simultaneous matrix sample cleanup allowed the direct analysis using the supernatant by liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS). This resulted in a gain in detection limits for most of the tracers...
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Molecular basis of the low activity of antitumor anthracenediones, mitoxantrone and ametantrone, in oxygen radical generation catalyzed by NADH dehydrogenase. Enzymatic and molecular modelling studies
PublicationSyntetyczne antracenodionowe leki przeciwnowotworowe, w przeciwieństwie do antybiotyków antracyklinowych, charakteryzują się słabym wytwarzaniem wolnych rodników w układach z dehydrogenazą NADH. Wyniki prezentowane w artykule wskazują, że ani potencjał redukcyjny, ani konformacja łańcuchów bocznych, ani energie orbitali granicznych (LUMO i HOMO) nie determinują zdolności antracenedionów do stymulacji wytwarzania reaktywnych form...
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Comparison of Fluoride Ion-Selective Electrode Based Potentiometric Methods of Fluoride Determination in Human Urine
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Influence of mechanochemical and microwave modification on ion-exchange properties of tin dioxide with respect to uranyl ions
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Ion Exchange And Related Phenomena In Glass Periodical GRIN Matrices During The Mosaic-Assembling Technology
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Influence of the preparation method and aluminum ion substitution on the structure and electrical properties of lithium–iron ferrites
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Chromium Ion Pair Luminescence: A Strategy in Broadband Near-Infrared Light-Emitting Diode Design
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Selectivity of lithium electrodes: correlation with ion-ionophore complexstability constants and with interfacial exchange current densities
PublicationMembranowe elektrody selektywne na jony litu oparte na dwóch różnych dicyk-lohesyloamidowych jonoforach poddane zostały systematycznym badaniom. Potencjometrycznie wyznaczono wartości współczynników selektywności. Wartości stałych trwałości kompleksów z jonami litu, sodu i potasu wyznaczono metodą membran "sandwichowych". Transfer ładunków przez membranę oraz przez granicę faz membrana/roztwór badano metodą spektroskopii impedancyjnej....
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Analysis of the enthalpies of transfer of Co(II) ion in mixed solvents by means of the theory of preferential solvation.
PublicationZa pomocą teorii solwatacji preferencyjnej zanalizowano entalpie przeniesienia jonu Co(II) w kilku mieszaninach wodno-organicznych i organicznych, wyznaczając parametry, które w sposób ilościowy opisują solwatację preferencyjną jonu i jego wpływ na oddziaływania między cząsteczkami rozpuszczalnika. Przeprowadzono porównanie właściwości solwatacyjnych mieszanin. Wyznaczono także średni skład sfery solwatacyjnej jonu w zależności...
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A DFT/TD DFT study of the structure and spectroscopic properties of 5-methyl-2-(8-quinolinyl)benzoxazole and its complexes with Zn(II) ion
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Molecular dynamics study of 4-OH-phenylacetyl- D -Y(Me)FQNRPR-NH 2 selectivity to V1a receptor
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International Journal of Signal Processing, Image Processing and Pattern Recognition
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Graph Neural Networks and Structural Information on Ionic Liquids: A Cheminformatics Study on Molecular Physicochemical Property Prediction
PublicationIonic liquids (ILs) provide a promising solution in many industrial applications, such as solvents, absorbents, electrolytes, catalysts, lubricants, and many others. However, due to the enormous variety of their structures, uncovering or designing those with optimal attributes requires expensive and exhaustive simulations and experiments. For these reasons, searching for an efficient theoretical tool for finding the relationship...
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Electron-Induced Decomposition of Uracil-5-yl O-(N,N-dimethylsulfamate): Role of Methylation in Molecular Stability
PublicationThe incorporation of modified uracil derivatives into DNA leads to the formation of radical species that induce DNA damage. Molecules of this class have been suggested as radiosensitizers and are still under investigation. In this study, we present the results of dissociative electron attachment to uracil-5-yl O-(N,N-dimethylsulfamate) in the gas phase. We observed the formation of 10 fragment anions in the studied range of electron...
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Novel 1,2,3-Triazole Derivatives as Mimics of Steroidal System—Synthesis, Crystal Structures Determination, Hirshfeld Surfaces Analysis and Molecular Docking
PublicationHerein, we present the synthesis and crystal structures determination of five 4-(1-phenyl-1H-1,2,3-triazol-4-yl)phenol derivatives containing halogen atoms, 6a–e, which may be used as an excellent mimic of steroids in the drug development process. Good quality crystals obtained for all of the synthesized compounds allowed the analysis of their molecular structures. Subsequently, the determined crystal structures were used to calculate...
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Tomasz Korol dr hab. inż.
PeopleEducation Gdańsk University of Technology, Faculty of Management and Economics (2001) University of Applied Sciences Stralsund (1999) Degree / scientific title Habilitation – Gdańsk University of Technology, Faculty of Management and Economics (2015) Ph.D. – Gdańsk University of Technology, Faculty of Management and Economics (2004) Employment Gdańsk University of Technology - associate professor (since 2017); assistant professor...
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Michał Tomasz Kucewicz dr
PeopleMichal Kucewicz was born in 1986 in Gdansk. In 2005 he completed International Baccalaureate programme in Topolowka (III High School in Gdańsk). Thanks to the G. D. Fahrenheit scholarship, he moved to the United Kingdom to study neuroscience. He received his Bachelor’s and Master’s degree from the Cambridge University, and his doctoral degree from the University of Bristol specializing in electrophysiology of memory and cognitive...
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Comparison of Language Models Trained on Written Texts and Speech Transcripts in the Context of Automatic Speech Recognition
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Tris(ferrocenylmethidene)sumanene: synthesis, photophysical properties and applications for efficient caesium cation recognition in water
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Intra-subject class-incremental deep learning approach for EEG-based imagined speech recognition
PublicationBrain–computer interfaces (BCIs) aim to decode brain signals and transform them into commands for device operation. The present study aimed to decode the brain activity during imagined speech. The BCI must identify imagined words within a given vocabulary and thus perform the requested action. A possible scenario when using this approach is the gradual addition of new words to the vocabulary using incremental learning methods....
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Conditions for increasing the recognition of degradation in thermal-flow diagnostics, taking into account environmental legal aspects
PublicationThe ever-increasing demand for electricity and the need for conventional sources to cooperate with renewable ones generates the need to increase the efficiency and safety of the generation sources. Therefore, it is necessary to find a way to operate existing facilities more efficiently with full detection of emerging faults. These are the requirements of Polish, European and International law, which demands that energy facilities...
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On the new possibility of applying oscillating liquid membrane systems for melecular recognition substances responsible for taste.
PublicationSugerowano wczesniej, że układy osylacyjne z membraną ciekłą mogą być uzyte do opracowania sensora smaku. zbadano wpływ substancji odpowiedzialnych za smak należacych do czterech klas samku na charakterystyki osylacyjne oscylatora z mambrana ciekłą i kationowym surfaktantem chlorkiem benzylodimetylotetradecyloamonionowym. Wykazano,że niezaleznie od natury rozpuszczalnika organicznego w membranie ciekłej charkterystyki oscylacyjne...
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FT-IR studies of molecular interactions in formamide-methanol mixtures
PublicationTechniką ATR zmierzono widma FT-IR roztworów metanolu(MeOH) i formamidu(FA) w całym zakresie ich składu. Przeprowadzono analizę faktorową widm, która wykazała obecność dwóch kompleksów molekularnych matanolu z formamidem. Na podstawie profilów stężeniowych indywiduów absorbujących wyznaczono średni skład kompleksów w zależności od składu mieszaniny. Przeprowadzono również analizę pasma CO formamidu metodą widm różnicowych. Wyniki...
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Molecular interaction sensors: a new detector platform for separation methods
PublicationPotencjometria jest nową metodą detekcji dla chromatografii cieczowej (LC)i elektroforezy kapilarnej (CE). Zastosowanie potencjometrii dla chromatograficznych technik wynika z faktu, że sygnał z detektora jest zależny od stanu rozdzielenia analitów nad pokryciem sensora i od rodzaju eluentu. Rozdzielenie analitu powoduje zmiany potencjału, a zmiany te można zaklasyfikować jako potencjometryczne. Do opisu ilościowego potrzebny jest...
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Molecular-dynamics simulation of clustering processes in sea-ice floes
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Molecular Dynamics of a Vasopressin V2 Receptor in a Phospholipid Bilayer Membrane
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Raman spectroscopy analysis of molecular configuration forms of the macular xanthophylls
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Porphyrazines as Molecular Scaffolds: Flexible Syntheses of Novel Multimetallic Complexes
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Functionalized polypyrroles. New molecular materials for electrocatalysis and related applications
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Slow growth conservation and molecular characterization of Deutzia scabra Thunb
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Parkinson’s disease: Etiopathogenesis, molecular basis and potential treatment opportunities
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Molecular Modeling of Interaction of the Vasopressin Analogs with Vasopressin and Oxytocin Receptors
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PF5 and PCl5 interacting with water – Comparative study at the molecular level
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Current molecular methods for the detection of hepatitis B virus quasispecies
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Current rectification in molecular junctions produced by local potential fields
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Molecular Determinants of Proton Transfer in ATP Synthase FO Complex
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Synthesis and hydrogen evolving catalysis of a panchromatic photochemical molecular device
PublicationA dinuclear hydrogen evolution photocatalyst [(tbbpy)2Os(tpphz)PtI2](PF6)2 (tbbpy = 4,4′-tert-butyl-2,2′-bipyridine; tpphz = tetrapyrido[3,2-a:2′,3′-c:2′′,3′′-h:2′′′,3′′′-j]phenazine) is synthesized in order to make use of the broader range of visible light absorption mitigated by the osmium center. In a first step, the activity of the complex for hydrogen evolution is investigated by evaluating the role of different electron donors...
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Molecular modelling of amphotericin B-ergosterol primary complex in water
PublicationBadano właściwości pierwotnego kompleksu amfoterycyny B z ergosterolem przy pomocy symulacji dynamiki molekularnej. Otrzymane w wyniku naszych symulacji rezultaty słabo odpowiadają postulowanym przez innych autorów modelom kompleksu antybiotyk-sterol. Z drugiej strony uzyskane geometrie nie są sprzeczne z wynikami eksperymentów biofizycznych dotyczących powstawania kompleksów w wodzie i w środowisku wodno-alkoholowym.
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Molecular modelling of membrane sterols with the use of the GROMOS 96 forcefield
PublicationPodstawowym zadaniem tego projektu było udowodnienie zasadności stosowania pola siłowego GROMOS 96 do symulacji steroli błonowych metodą dynamiki molekularnej. Uzyskane wyniki jasno wskazują, że to pole siłowe bardzo dobrze nadaje się do symulacji silnie lipofilowych układów.