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Search results for: ION MOLECULAR RECOGNITION
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JOURNAL OF MOLECULAR RECOGNITION
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Ionophores in polymeric membranes for selective ion recognition; impedance studies
PublicationBadania impedancyjne membran zawierających jonofory selektywne na kation Na+ (L1) i Cs+(L2) wykazały, ze stala dielektryczna materiału membrany zależy od typu uzytego plastyfikatora i zmienia się w zakresie od 28 do 60. Rezystancja membran zawierających ligand L1 i L2 wynosi 0.15 -1.4 Mohm w zależności od stężenia elektrolitu zewnnetrznego. Testowona dwa typy elektrod jonoselektywnych: elektrody typu ASS z polimerem przewodzącym...
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Molecular Recognition in Complexes of TRF Proteins with Telomeric DNA
PublicationTelomeres are specialized nucleoprotein assemblies that protect the ends of linear chromosomes. In humans and many other species, telomeres consist of tandem TTAGGG repeats bound by a protein complex known as shelterin that remodels telomeric DNA into a protective loop structure and regulates telomere homeostasis. Shelterin recognizes telomeric repeats through its two major components known as Telomere Repeat-Binding Factors, TRF1...
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Cationic or anionic surfactant oscillators for molecular recognition of taste substances
PublicationOtrzymano krzywe oscylacyjne róznicy potencjału elektrochemicznego miedzy fazami wodnymi oscylatora zawierajacego jonowy surfanktant. Były one analizowane poprzez konsrukcje portretów fazowych uzywając metody opóźnienia czasowego. Kształt portertów fazowych jest rożny dla układów z kationowym lub anionowym surfanktantem. Szeregi wzrostu powierzchni atraktorów dla tych dwoch oscylatorów sa także rózne.
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Oscillators with anionic surfactants as systems for molecular recognition of taste substances
PublicationZaprezentowano, charakterystyki oscylacyjne układów trojfazowych, ktore mogą byc uzyte do rozpoznawania substancji smakowych. Zaobserwowano, że zmiany osylacyjne róznicy potencjału elektrycznego miedzy fazami wodnymi zależą od rodzaju substancji smakowej obecnej w układzie. Ich rózne wartosci poczatkowe są ważną cechą z punktu mozliwości zastosowania tych układów w sensorach smaku. Dla kazdego układu wyznaczono portrety fazowe...
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Ab initio molecular treatment for charge transfer by S3+ ion on hydrogen.
PublicationPoliczono adiabatyczne potencjały oddziaływania między jonem siarki i wodoru. Dokonano obliczeń nieadiabatycznych sprzężeń pomiędzy tymi potencjałami. Obliczenia wykazały, że należy wziąć pod uwagę niezbadany wcześniej poziom energetyczny jonu siarki aby dokładnie wyjaśnić mechanizm przechwytu ładunku.
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On the possibility of molecular recognition of taste substances studied by Gabor analysis of oscillations
PublicationBadano wpływ substancji odpowiedzialnych za wrażenia smakowe należące do czterech klas smaku (słodki, słony, gorzki i kwaśny) na charakterystyki oscylacyjne w nitrometanowym oscylatorze zawierającym kationowy surfaktant: chlorek benzylodimetylotetradecyloamoniowy. Zapropnowano nowe podejście oparte o transformację Gabora za pomocą której otrzymano widma mocy dla posczególnych układów. Wykazano, że dwuwymiarowa forma tych widm może...
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Fluorescent Molecular Cages with Sucrose and Cyclotriveratrylene Units for the Selective Recognition of Choline and Acetylcholine
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Understanding ion–ion and ion–solvent interactions in aqueous solutions of morpholinium ionic liquids with N-acetyl-L-alaninate anion through partial molar properties and molecular dynamics simulations
PublicationAmino acid ionic liquids (AAILs) provide a low toxicity, biodegradable alternative to conventional ionic liquids, while also maintaining solubility in water. Densities and sound velocities of aqueous solutions of four amino acid ionic liquids (AAILs), based on the N-alkyl-N-methylmorpholinium ([Mor1,R], R = 2, 3, 6, 8) cation and N-acetyl-L-alaninate ([N-Ac-L-Ala]) anion were measured at T = (293.15–313.15) K and at atmospheric...
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Porphyrazines Peripherally Functionalized with Hybrid Ligands as Molecular Scaffolds for Bimetallic Metal-Ion Coordination
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A new phosphonium calix[4]arene for selective anion recognition: synthesis and studies in solution and in ion selective electrodes
PublicationZaprezentowana została synteza i charakteryzacja tetra (trifenylofosfoniowego) p-tert-butylkaliks[4]arenu 2. Oddziaływania z anionami były badane z użyciem (1)H oraz (31)P NMR i spektrofotometrii absorpcyjnej UV. Badania wykazały oddziaływania z anionami: CLO4-, I-, oraz SCN-. Selektywność jonoforu 2 badano również w membranowych elektrodach jonoselektywnych (ISE) PCV/o-NPOE. Elektroda zawierająca związek 2 generuje odpowiedź potencjometryczną...
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Ion recognition properties of new pyridine-2,6-dicarboxamide bearing propeller-like pendant residues: multi-spectroscopic approach
PublicationThe synthesis and ion binding properties of new amide derived from propeller-like tris(2-pyridyl)amine and 2,6-pyridinedicarboxylic acid chloride were described. Amide binds divalent metal cations: copper(II), nickel(II), zinc(II), and lead(II) in acetonitrile. In acetonitrile:water mixture (9:1 v/v) amide interacts only with copper(II) and nickel(II) cations forming complexes of 1:1 stoichiometry. It was found that the introduction...
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Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
PublicationBecause of high stability and slow unfolding rates of G-quadruplexes (G4), cells have evolved specialized helicases that disrupt these non-canonical DNA and RNA structures in an ATP-dependent manner. One example is DHX36, a DEAH-box helicase, which participates in gene expression and replication by recognizing and unwinding parallel G4s. Here, we studied the molecular basis for the high affinity and specificity of DHX36 for parallel-type...
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Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
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Oscillating water-oil-water liquid membrane systems for molecular recognition of substances belonging to diferent taste classes
PublicationBadano oscylacje róznicy potencjału elektrochemicznego miedzy fazami wodnymi. Jedna faza wodna zawiera kationowy lub anionowy surfaktant podczas gdy w drugiej fazie wodnej znajduje sie substancja odpowiedzialna za smak. Dwie fazy wodne sa rozdzielone faza olejową. Oscylacje były analizowane poprzez konstrukcje portretów fazowych uzywając metody opoznienia czasowego. Kształt portretów fazowych jest rozny dla oscylatorów z kationowym...
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Using pattern recognition entropy to select mass chromatograms to prepare total ion current chromatograms from raw liquid chromatography–mass spectrometry data
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Engineering Candida albicans glucosamine-6-phosphate synthase for efficient enzyme purification
PublicationRationally designed muteins of Candida albicans glucosamine-6-phosphate synthase, an enzyme known as a promising target for antifungal chemotherapy, were constructed, overexpressed in Escherichia coli and purified to near homogeneity. To facilitate and to optimize the purification of the enzyme, three recombinant versionscontaining internal oligoHis fragments were constructed: (i) by substituting residues 343 - 348...
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Simultaneous determination of thermodynamic and kinetic parameters of aminopolycarbonate complexes of cobalt(II) and nickel(II) based on isothermal titration calorimetry data
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Zinc(II) complexation by some biologically relevant pH buffers
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DYNAMICOL Ultrafast Charge Transfer in ion atom collision investigated by Molecular Quantum Dynamics Methods
ProjectsProject realized in Faculty of Applied Physics and Mathematics according to PERG08-GA-2010-277201 agreement from 2011-02-22
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Recognition and sensing of anions
PublicationMolecular ion recognition is one of the most intensively studied areas of supramolecular technology. The reason for this is the essential role that ions play in many biological as well as industrial processes. On the other hand, however, it has been proved that ions can have a negative impact on human health and the environment. For these reasons, it is extremly important to develop rapid and simple methods allowing the determination...
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Paweł Możejko dr hab.
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Modern trends in solid phase extraction: New sorbent media
PublicationBased on the recently published literature, this review provides an update of the most important features and application of formats and devices employed in solid phase extraction (SPE). Special attention was paid on new trapping media proposed in SPE prior the chromatography analysis, based on the use of nanostructured materials, including carbon nanomaterials, electrospun nanofibers, dendrimes and magnetic nanoparticles, molecular...
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Piotr Jasiński prof. dr hab. inż.
PeoplePiotr Jasinski obtained MSc in electronics in 1992 from the Gdansk University of Technology (GUT), Poland. Working at GUT, he received PhD in 2000 and DSc in 2009. Between 2001 and 2004 Post Doctoral Fellow at Missouri University of Science and Technology, while between 2008 and 2010 an Assistant Research Professor. Currently is an Associate Professor at Gdansk University of Technology working in the field of electronics, biomedical...
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Optical recognition elements: macrocyclic imidazole chromoionophores entrapped in silica xerogel
PublicationMaterials containing new chromoionophores consisting of crown residue and azole moiety as partsof macrocycles were encapsulated by the sol-gel procedure in silica xerogel matrices and proposed aschemical recognition elements especially for such metal ions as Li+, Cs+ and Cu2+. Action of these recognition elements is in principle based on changes of reflectance. The recognition elements containing 21-membered chromogenic...
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Potentiometric sensor containing set of ion selective electrodes with lipid modified membranes for quality assessment of tested non-alcoholic beverages
PublicationPotentiometric sensors may be a good tool for fast quality control of commercial drinks. In this work, such a sensor, containing a set of ion-selective electrodes with lipid-modified membranes (benzylhexadecyldimethylammonium chloride monohydrate, hexadecylamine, 1-dodecanol, elaidic acid, cholesterol) was used for discrimination and quality control of non-alcoholic beverages, mainly composed of sugar and citric acid. It was found...
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Przegląd rodzajów chiralnych faz stacjonarnych oraz możliwości ich zastosowań w chromatografii cieczowej
PublicationChromatograficzne rozdzielanie związków optycznie czynnych ma ogromne znaczenie nie tylko w przemyśle farmaceutycznym, ale i agrochemicznym, a także w badaniach naukowych różnego rodzaju. W niniejszym opracowaniu scharakteryzowano komercyjnie dostępne chiralne fazy stacjonarne na bazie, cyklodekstryn, polisacharydów, makrocyklicznych antybiotyków, eterów koronowych, a także fazy proteinowe, ligandowymienne, jonowymienne oraz fazy...
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Chromogenic amides of pyridine-2,6-dicarboxylic acid as anion receptors
PublicationThe synthesis of simple, chromogenic pyridine-2,6-dicarboxylic acid amides, derivates of isomeric nitroanilines and aminonitrophenols, and their ion binding properties are described. The ligands' response to ionic species was examined by naked eye and was studied with the use of UV-Vis spectroscopy in DMSO and its mixture with water. The effect of the localisation and the type of the substituents in aromatic rings were discussed....
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Rengel Cane Sia Doctoral Candidate
PeopleI'm Rengel, born and raised in the Philippines. As an undergraduate I did kinetic modeling on Copper-catalyzed atom transfer radical addition (ATRA). Then I was inspired to do both theoretical and experimental studies, which led me to propose my master's thesis on Synthesis, Computational, Electrochemical, and Photoconductivity Studies on Naphthalene and its derivatives. This led to a master's degree in Chemistry in the Mindanao...
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Molecular biology
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Molecular biology
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Molecular biology GT
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Measurements of Subnanometer Molecular Layers
PublicationSelected methods of formation and detection of nanometer and subnanometer molecular layers were shown. Additionally, a new method of detection and measurement with subnanometer resolution of layers adsorbed or bonded to the gate dielectric of the ion selective field effect transistor (ISFET) was presented.
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Ion Chromatography in Environmental Analysis of Selected Organic Acids
PublicationLow molecular mass carboxylic acids (LCAs) occur in many environmental compartments dueto natural processes and human activity. When volatile and nonvolatile acids are to be monitored then liquidchromatography, including ion chromatography seems a method of choice. At high pH the acids are inionized form and can be separated as carboxylats by means of anion exchange chromatography. LCAs canalso be separated at low pH by ion exclusion...
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Uncertainty in emotion recognition
PublicationPurpose–The purpose of this paper is to explore uncertainty inherent in emotion recognition technologiesand the consequences resulting from that phenomenon.Design/methodology/approach–The paper is a general overview of the concept; however, it is basedon a meta-analysis of multiple experimental and observational studies performed over the past couple of years.Findings–The mainfinding of the paper might be summarized as follows:...
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Language Models in Speech Recognition
PublicationThis chapter describes language models used in speech recognition, It starts by indicating the role and the place of language models in speech recognition. Mesures used to compare language models follow. An overview of n-gram, syntactic, semantic, and neural models is given. It is accompanied by a list of popular software.
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Integration in Multichannel Emotion Recognition
PublicationThe paper concerns integration of results provided by automatic emotion recognition algorithms. It presents both the challenges and the approaches to solve them. Paper shows experimental results of integration. The paper might be of interest to researchers and practitioners who deal with automatic emotion recognition and use more than one solution or multichannel observation.
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Human emotion recognition with biosignals
PublicationThis chapter presents issues in the field of affective computing. Basic preliminary information for the recognition of emotions is given and models of emotions, various ways of evoking emotions, as well as their theoretical foundations are discussed. The particular attention is given to the use of physiological signals in recognizing emotions. This subject is outlined further below by presenting selected biosignals, their relationship...
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Determination of cyanide ion in urine samples using ion chromatography with pulsed amperometric detection.
PublicationCyanides are widely applied in industrial activity, including gold and silver mining and the production of organic chemicals. HCN is also formed directly from fossil fuel combustion sources from gasoline and diesel vehicles. In natural environment, in plants seeds for example an apple seed, it exists as a cyanogenic glycosides. The amount of cyanide ions originating from food products is however rather small. Larger concentrations...
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Dopants and gas modifiers in ion mobility spectrometry
PublicationThe ion mobility techniques, including the most commonly used drift-tube ion mobility spectrometry (IMS) and differential mobility spectrometry (DMS), are used successfully for the detection of a wide range of organic compounds in the gas phase. In order to improve detection quality, admixtures are added to gas streams flowing through the detector. Dopants mostly prevent the ionization of interfering chemicals however, better detection...
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Automatic sound recognition for security purposes
PublicationIn the paper an automatic sound recognition system is presented. It forms a part of a bigger security system developed in order to monitor outdoor places for non-typical audio-visual events. The analyzed audio signal is being recorded from a microphone mounted in an outdoor place thus a non stationary noise of a significant energy is present in it. In the paper an especially designed algorithm for outdoor noise reduction is presented,...
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Molecular geometry of hexachlorobenzene
Open Research DataPresented data shows molecular geometry of the ground singlet state of hexachlorobenzene and hexachlorobenzene with potassium atom in 10 angstrom distance. The geometry was obtained via MP2 and CCSD calculations using balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.
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Recognition of Hand Drawn Flowcharts
PublicationIn this paper the problem of hand drawn flowcharts recognition is presented. There are described two attitudes to this problem: on-line and off-line. A concept of FCE, a system for recognizing and understanding of freehand drawn on-line flow charts on desktop computer and mobile devices is presented. The first experiments with the FCE system and the planes for future are also described.
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Semantic Integration of Heterogeneous Recognition Systems
PublicationComputer perception of real-life situations is performed using a variety of recognition techniques, including video-based computer vision, biometric systems, RFID devices and others. The proliferation of recognition modules enables development of complex systems by integration of existing components, analogously to the Service Oriented Architecture technology. In the paper, we propose a method that enables integration of information...
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MOLECULAR PHYSICS
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Using Physiological Signals for Emotion Recognition
PublicationRecognizing user’s emotions is the promising area of research in a field of human-computer interaction. It is possible to recognize emotions using facial expression, audio signals, body poses, gestures etc. but physiological signals are very useful in this field because they are spontaneous and not controllable. In this paper a problem of using physiological signals for emotion recognition is presented. The kinds of physiological...
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Tomasz Swebocki Dr
PeopleTomasz SWEBOCKI was born on October 19, 1994, in Gdynia, Poland. He began his studies at the Faculty of Chemistry, University of Gdańsk, in 2016. In 2019 and 2021, he obtained his bachelor’s and master’s degrees (with distinction), completing his theses in Analytical Chemistry and Diagnostics. In 2024, he completed his PhD in materials science and microbiology at the Université de Lille, Institut d’Électronique, de Microélectronique...
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Emotion Recognition for Affect Aware Video Games
PublicationIn this paper the idea of affect aware video games is presented. A brief review of automatic multimodal affect recognition of facial expressions and emotions is given. The first result of emotions recognition using depth data as well as prototype affect aware video game are presented
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Emotion Recognition and Its Applications
PublicationThe paper proposes a set of research scenarios to be applied in four domains: software engineering, website customization, education and gaming. The goal of applying the scenarios is to assess the possibility of using emotion recognition methods in these areas. It also points out the problems of defining sets of emotions to be recognized in different applications, representing the defined emotional states, gathering the data and...
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Examining Feature Vector for Phoneme Recognition
PublicationThe aim of this paper is to analyze usability of descriptors coming from music information retrieval to the phoneme analysis. The case study presented consists in several steps. First, a short overview of parameters utilized in speech analysis is given. Then, a set of time and frequency domain-based parameters is selected and discussed in the context of stop consonant acoustical characteristics. A toolbox created for this purpose...