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total: 657
Search results for: nafion
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Observation of the Hydrogen Migration in the Cation-Induced Fragmentation of the Pyridine Molecules
PublicationThe ability to selectively control chemical reactions related to biology, combustion, and catalysis has recently attracted much attention. In particular, the hydrogen atom relocation may be used to manipulate bond-breaking and new bond-forming processes and may hold promise for far-reaching applications. Thus, the hydrogen atom migration preceding fragmentation of the gas-phase pyridine molecules by the H+, H2+, He+, He2+, and...
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Phosphinoborinium cation: a synthon for cationic B-P bond systems
PublicationHerein, we report access to phosphinoborinium cations via heterolytic cleavage of the boron-bromide bond in bromophosphinoborane. The product of the reaction was isolated as a dimeric dication possessing a planar P2B2 core. Activation of C-H and C-P bonds in the dication led to formation of the borinium-phosphaborene adduct. Reactivity studies revealed that title cation exhibits ambiphilic properties and intramolecular frustrated...
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Theoretical study of the dipole-bound anion (HPPH3)−
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Asia-Pacific population journal / United Nations
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International Journal of Diversity in Organisations, Communities and Nations
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Investigation of sensing mechanism of Nasicon electrocatalytic sensors in nitrogen dioxide and ammonia
PublicationIn this paper a sensing mechanism of Nasicon electrocatalytic sensor in nitrogen dioxide and ammonia is investigated. Both gases are environmentally hazardous and contain nitrogen atom in the molecule. However, it seems that their sensing mechanism in electrocatalytic sensor could be totally different. Namely, the maximum sensitivity for each gas was obtained at different temperatures. Also, different auxiliary layers are formed...
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Investigation of Sensing Mechanism of Nasicon Electrocatalytic Sensors in Nitrogen Dioxide and Ammonia
PublicationW pracy przedstawiono wyniki badań mechanizmu działania czujnika elektrokatalitycznego pracującego w ditlenku azotu i amoniaku.
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Fate of Dipole-Bound Anion States when Hydrated
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Is the p-chloroaniline anion bound almost entirely by correlation?
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Shape resonance of the ethylene anion stabilized in a molecular trap
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Excited electronic states of the anion of 7,7,8,8-tetracyanoquinodimethane (TCNQ)
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Agnieszka Bartoszek-Pączkowska prof. dr hab. inż.
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Porównanie wartości żywieniowej oleju z nasion żmijowca (Echium vulgare L.) z wartością żywieniową pospolitych olejów roślinnych.
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Synthesis, crystal structure and electrical properties of A-site cation ordered BaErMn2O5 and BaErMn2O6
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Studies on the complex formation between lactams and thiolactams of sparteine with copper(II) cation
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Jahn-Teller and related conical intersections in the benzene radical cation and the monofluoro derivate
PublicationThe multi-state multi-mode vibronic interactions in the benzene radical cation and its monofluoro derivative have been investigated theoretically, based on high-level electronic structure calculations for the system parameters and a quantum treatment of the nuclear motion. The available experimental data are well reproduced. The interplay of different vibronic coupling mechanisms is pointed out leading to multiple nonadiabatic...
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Analiza istotności cech znamion skórnych dla celów diagnostyki czerniaka złośliwego
PublicationPomimo dynamicznego rozwoju metod uczenia maszynowego i ich wdrażania do praktyki lekarskiej, automatyczna analiza znamion skórnych wciąż jest nierozwiązanym problemem. Poniższy artykuł proponuje zastosowanie algorytmu ewolucyjnego do zaprojektowania, wytrenowania i przetestowania całych populacji klasyfikatorów (sztucznych sieci neuronowych) oraz ich iteracyjnego udoskonalania w każdej kolejnej populacji, w celu osiągnięcia jak...
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Theoretical interpretation of photoelectron spectra of the iridium neutral atom and anion
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Dissociative electron attachment and anion-induced dimerization in pyruvic acid
PublicationWe report partial cross sections for the dissociative electron attachment to pyruvic acid. A rich fragmentation dynamics is observed. Electronic structure calculations facilitate the identification of complex rearrangement reactions that occur during the dissociation. Furthermore, a number of fragment anions produced at electron energies close to 0 eV are observed, that cannot originate from single electron-molecule collisions....
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Photoresponsive, amide-based derivative of embonic acid for anion recognition
PublicationThe synthesis and ion-binding properties of amide-based derivative of embonic acid andp-aminoazobenzenewere described. The new compound was characterized by X-ray structural analysis and spectroscopic methods.Ligand interacts in acetonitrile with Y-shaped anions (benzoates and acetates) and dihydrogen phosphatesforming complexes of 1:1 stoichiometry. In more polar DMSO the complexes stoichiometry changes to 2:1(L:anion). Light-inducedtranstocisisomerization...
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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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The European Union Development Policy and Achieving Sustainable Development Goals (SDGs) of the United Nations
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Cation-ordered perovskite-type anode and cathode materials for solid oxide fuel cells
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Multi-state vibronic interactions in the fluorobenzene radical cation: The importance of quadratic coupling terms
PublicationThe multi-mode multi-state vibronic interactions in the set of X^2B_1 - D^2A_1 electronic states of the monofluoro benzene radical cation are investigated theoretically, based on a quadratic vibronic coupling approach. The underlying ionization potentials and coupling constants are obtained from ab initio coupled-cluster calculations. Previous investigations (relying on the linear coupling approach) are extended by including all...
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Multi-mode vibronic interactions in the five lowest electronic states of the fluorobenzene radical cation
PublicationThe multi-mode vibronic interactions between the five lowest electronic states of the fluorobenzene radical cation are investigated theoretically, based on ab initio electronic structure data, and employing the linear vibronic coupling model. Low-energy conical intersections, and strong vibronic couplings are found to prevail within the set of X-A and B-C-D cationic states, while the interactions between these two sets of states...
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Impedance of cation-coupled electron transfer reaction: Theoretical description of one pathway process
PublicationIt has been assumed that cation electron coupled charge transfer can be conducted in accordance with two mutually coupled reactions. Using a differential method an expression was introduced which describes the impedance of a cation electron coupled transfer reaction. Also, an electrical equivalent circuit has been defined. The total faradaic impedance is the sum of electron transfer impedance and cation transfer impedance. Issues...
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Impedance of cation-coupled electron transfer reaction: teoretical description of one pathway process
PublicationPrzyjęto możliwość występowanie dwóch wzajemnie sprzężonych reakcji. Opisana została impedancja sprzężonej reakcji przeniesienia elektronu z kationem. Wyznaczony został również model elektrycznego schematu zastępczego. Całkowita impedancja Faradayowska jest sumą impedancji przeniesienia elektronu i impedancji przeniesienia kationu. Przykłady pomiaru impedancyjnego w warunkach potencjostatycznych i potencjodynamicznych zostały omówione....
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Naphthyl-vs. anthrylpyridine-2,6-dicarboxamides in cation binding studies. Synthesis and spectroscopic properties
PublicationPyridine-2,6-carboxamides bearing - or -naphthyl- and - or -anthryl- residues were prepared using simple method from pyridine-2,6-carboxylic acid dichloride and the respective aromatic amines. For the obtained receptors selective binding of lead(II), and copper(II) was found. Ion-receptor interactions were studied using UV-vis spectroscopy, spectrofluorimetry, 1H NMR, and FTIR spectroscopy. The reversible lead(II) and copper(II)...
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Effect of Different Bromine Sources on the Dual Cation Mixed Halide Perovskite Solar Cells
PublicationRecent research has shown that perovskite solar cells with a mixed dual A-cation have much better structural stability without loss of efficiency than single cation devices. Mixed cation perovskites create a lot of questions about the salts being used for the formation of the best-quality layer. Here, we have investigated three sources of bromide in the perovskite absorption layer, using lead bromide (PbBr2), formamidinium bromide...
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NAFO Scientific Council Studies
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Are Radicals Formed During Anion-Exchange Membrane Fuel Cell Operation?
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Bound-Excited Electronic States of the Anion of 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane
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Anion recognition by α-arylazo-N-confused calix[4]pyrroles
PublicationZsyntezowano nowe azowe pochodne N-odwróconych kaliks[4]piroli na drodze sprzęgania z różnymi solami arylodiazoniowymi. Zbadano zdolność kompleksowania anionów w chlorku metylenu oraz w acetonitrylu przez otrzymane związki z zastosowaniem spektrofotometrii UV-Vis.
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Tris(ferrocenylmethidene)sumanene: synthesis, photophysical properties and applications for efficient caesium cation recognition in water
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Using Wearable Electronics to Estimate Usefulness of Heart Rate Variability for Bathing Person Identif Cation
PublicationIn this paper the possibility of person identification based on biosignal is investigated. The work focus on the analysis of the changes in intervals between successive R-waves of electrocardiogram (ECG) recorded by wearable electronics in form of a necklaces. The main idea behind this project is to find efficient tool which may prevent sudden consciousness loss episodes or even sudden death episodes related to rapid temperature...
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Analiza znamion skórnych przy pomocy metod przetwarzania obrazu i algorytmów inteligencji obliczeniowej
PublicationNowotwory skóry są najczęściej spotykanymi nowotworami na świecie. Czerniaki złośliwe stanowią od około 5 do 7% wszystkich nowotworów złośliwych skóry u człowieka. Celem pracy była budowa zautomatyzowanego systemu do diagnostyki znamion skórnych pod kątem wykrycia czerniaka złośliwego. Omawiane narzędzie powinno służyć jako system wspomagania decyzji dla lekarzy pierwszego kontaktu lub jako system...
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Liquid crystal technique application for heat transfer investigation inafin-tube heat exchanger element
PublicationPublikacja przedstawia rezultaty prac autorów w zakresie wykorzystania techniki ciekłokrystalicznej w badaniach wymiany ciepła dla elementów wymiennika ciepła. Technika ta z powodzeniem została zastosowana do analizy sposobu zabudowy wymiennika na jego efektywność.
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Formation of OH Radicals as Evidence of Intramolecular Hydrogen Migration in Cation-Induced Dissociation of Furan Molecules
PublicationWe present the experimental results on a hydrogen atom migration preceding fragmentation of the furan molecules induced by the H3+ and C+ impact. The excited OH(A2Σ+) radical has been detected among the furan decomposition products using collision-induced emission spectroscopy. However, the OH moiety is absent in the furan ring skeleton, so detecting the OH(A2Σ+→X2Π) luminescence indicates the intramolecular H atom relocation prior...
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1st Academic Conference "Areas of Finnish Studies: Language, Culture and Nation", organised on the occasion of the centenary of Finnish independence (Gdańsk, 15-16 May 2017)
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Exploring the structure–property schemes in anion–π systems of d-block metalates
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Hybrid materials comprising trimethylglycinamide groups: immobilization consequences for anion binding affinities
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Operando EPR Study of Radical Formation in Anion-Exchange Membrane Fuel Cells
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A strongly bound OF3- anion and its unstable parent neutral OF3 species
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Shape resonance of H[sub 2][sup −] anion stabilized in a molecular trap
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DFT and NBO theoretical study of protonation of tri-tert-butoxysilanethiol and its anion
PublicationWykonano obliczenia kwantowo-chemiczne metodą DFT dla tri-tert-butoksysilanotiolu oraz jego protonowanych i deprotonowanych form, zarówno na atomie tlenu jak i siarki. Przeanalizowano bilans energetyczny dla protonowania anionu w próżni i w fazie wodnej (stosując model IPCM). Zaobserwowano skrócenie wiązania Si-S w wyniku protonowania na atomie tlenu. Zmiany długości wiązań Si-O i Si-S zostały zinterpretowane w oparciu o analizę...
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Anion binding by p-aminoazobenzene-derived aromatic amides: spectroscopic and electrochemical studies
PublicationThe synthesis and complexing properties of p-aminoazobenzene-derived mono-, bis-, and trisamides were described. Ligands 3 and 4 bind anions, including fluorides, chlorides, bromides, acetates, benzoates, dihydrogen phosphates, hydrogen sulfates, and p-toluenesulfonates, in chloroform forming 1 : 1 complexes. The highest value of stability constant was evaluated for the 4-F− complex (log K = 5.63 ± 0.21). On the basis of 1H NMR,...
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Anion recognition by phosphonium calix[4]arens: synthesis and physico-chemical studies
Publicationp-tert-butylcalix[4]arenes in the cone conformation, di-and tetra substituted at the narrow rim with charged phosphonium groups have been synthesies and characterised.
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Multi-Site Cation Control of Ultra-Broadband Near-Infrared Phosphors for Application in Light-Emitting Diodes
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In uence of Low-Level Features Extracted from Rhythmic and Harmonic Sections on Music Genre Classi cation
PublicationWe present a comprehensive evaluation of the infuence of 'harmonic' and rhythmic sections contained in an audio file on automatic music genre classi cation. The study is performed using the ISMIS database composed of music files, which are represented by vectors of acoustic parameters describing low-level music features. Non-negative Matrix Factorization serves for blind separation of instrument components. Rhythmic components...
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Molecular picture of hydroxide anion hydration in aqueoussolutions studied by FT-IR ATR spectroscopy
PublicationHydratacja anionu hydroksylowego w wodnych roztworach wodorotlenków metali alkalicznych (LiOH, NaOH, KOH) została zbadana metodą spektroskopii oscylacyjnej FT-IR całkowitego wewnętrznego odbicia (ATR). Widma oscylacyjne wody dostarczają cennych informacji na temat stanu strukturalnego cząsteczek wody w sferach hydratacyjnych, wynikających ze sprzężeń oscylatorów w układzie. Wykazano, że drganie normalne rozciągające cząsteczki...