Search results for: METAL-TO-LIGAND CHARGE TRANSFER
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Charge transfer and europium trapped exciton states in Eu<sup>3+</sup>/Eu<sup>2+</sup> doped phosphors
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Separation of nitroaromatics and their transformation products in soil around ammunition plants: New high performance liquid chromatographic charge transfer stationary phases
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Silicon polypodands: powerful metal cation complexing agents and solid–liquid phase-transfer catalysts of new generation
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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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Dipole-bound anions supported by charge-transfer interaction: Anionic states of HnF3?nN ? BH3 and H3N ? BHnF3?n (n = 0, 1, 2, 3)
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Mixed-ligand complexes of zinc(II), cobalt(II) and cadmium(II) with sulfur, nitrogen and oxygen ligands. Analysis of the solid state structure and solution behavior. Implications for metal ion substitution in alcohol dehydrogenase
PublicationScharakteryzowano strukturę heteroleptycznych kompleksów cynku(II), kobaltu(II) i kadmu(II) z 2-(2'-hydroksyetylopirydyną), tri-tert-butoksysilanotiolem i metanolem. Przy pomocy widm UV-Vis i NMR stwierdzono szybką wymianę N-liganda w roztworach tych kompleksów. Wyznaczono przesunięcia 15N NMR 2-(2'-hydroksyetylopirydyny) w kompleksach cynku(II) i kadmu(II). Na podstawie widm w podczerwieni i obliczeń DFT oszacowano względną moc...
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Oznaczanie tlenu – od metody Winklera do czujników enzymatycznych (Determination of oxygen – from Winkler Method to enzymatic sensor)
PublicationMonitoring of dioxygen levels is of utmost importance from the view-point of life processes, medical diagnostics, nutrition and chemical industries. In all these measurements both low and high levels of this element are important. The common methods for the determination of dioxygen are the Winkler method, Clark electrode and pulsoxymeters. A new, already strong field of research can be now recognized – the development of miniaturized...
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The viscometric evaluation of the gelation rate the chitosan-metal oxide hydrogel systems.
Open Research DataThe dataset shows the change in the viscosity of a hydrogel medium over time. Viscometric measurement was used as a universal method for determining the cross-linking rate of chitosan hydrogel using metal oxides or other solutions with a negative net charge. The method was prepared as a method of predicting the kinetics of additive manufacturing using...
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Conformation analysis and semiclassical dynamics study of charge exchange process induced by collision of C2+ ions with tetrahydrofuran
PublicationWe present the results of recent investigations of charge transfer processes in the collisions of C²⁺ ions with heterocyclic molecules of tetrahydrofuran.
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Long-term measurement of physiological parameters - adult (120 minutes)
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (120 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters.
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 90 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - child (60 minutes)
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - child (3)
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters (4)
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 90 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - child (4)
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 120 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - adult (1)
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 120 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters (3)
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 90 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - child (2)
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 120 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters (2)
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 90 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - child (1)
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 110 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 3 serie
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 6th serie
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 5 serie
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 1 serie
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 12. series
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (4h)
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (4 hours) measurement of physiological parameters was performed on the healthy volunteer...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 11. series
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 2 serie
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 7th serie
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 10th series
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (150 minutes) 1 serie
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 150 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (13h)
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (13 hours) measurement of physiological parameters was performed on the healthy volunteer...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 9th serie
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 4 serie
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 8th serie
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (10h)
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (10 hours) measurement of physiological parameters was performed on the healthy volunteer...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 3 serie
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (9h and 20min)
Open Research DataThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (9 hours and 20 minutes) measurement of physiological parameters was performed on...
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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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Resonance-Raman spectro-electrochemistry of intermediates in molecular artificial photosynthesis of bimetallic complexes
PublicationThe sequential order of photoinduced charge transfer processes and accompanying structure changes were analyzed by UV-vis and resonance-Raman spectroscopy of intermediates of a Ru(II) based photocatalytic hydrogen evolving system obtained by electrochemical reduction.
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Molecular mechanism of proton-coupled ligand translocation by the bacterial efflux pump EmrE
PublicationThe current surge in bacterial multi-drug resistance (MDR) is one of the largest challenges to public health, threatening to render ineffective many therapies we rely on for treatment of serious infections. Understanding different factors that contribute to MDR is hence crucial from the global “one health” perspective. In this contribution, we focus on the prototypical broad-selectivity proton-coupled antiporter EmrE, one of the...
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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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Optoelectronic properties of curved carbon systems
PublicationSystematic investigation of optoelectronic properties of curved carbon systems has been performed and the results have been compared with the representatives of flat carbon systems. Moreover, the application of third order dispersion corrected density functional tight binding method (with third order corrections of self-consistent charges) including Becke-Johnson dumping (DFTB3-D3(BJ)) has been validated in order to obtain reliable...
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A non-adiabatic wavepacket dynamical study of the low energy chargetransfer process in the S3+ + H collision
PublicationThe collisional system S3+ + H?S2+ + H+ has been studied using a time-dependent wavepacket methodologyin two-dimensions. Using available potential energy surfaces and coupling matrix elementsobtained from multireference ab initio calculations, five non-adiabatically coupled electronic states of1P symmetry have been included in the dynamical simulations. The collision has been studied in thelow energy regime of 1-10 eV. The wavepacket...
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Electrochemical and photoelectrochemical characterization of photoanodes based on titania nanotubes modified by a BiVO4 thin film and gold nanoparticles
PublicationTitania nanotubes (TNT) modified with thin films of bismuth vanadate (BiVO4) and gold nanoparticles (GNP) were photoelectrochemically characterized as photoanodes for water photooxidation. Presence of bismuth vanadate enhanced efficiency of photocurrent generation in comparison with pristine TNTs under visible light illumination. Besides an extended range of absorbed light, the presence of both BiVO4 and GNP reduced the charge...
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Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes
PublicationLinear-scaling density functional theory simulation of methylated imogolite nanotubes (NTs) elucidates the interplay between wall-polarization, bands separation, charge-transfer excitation, and tunable electrostatics inside and outside the NT-cavity. The results suggest that integration of polarization-enhanced selective photocatalysis and chemical separation into one overall dipole-free material should be possible.
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Modelling of Graphene Field-Effect Transistor for lectronic sensing applications
PublicationA top-gated Graphene Field-Effect Transistor (GFET) suitable for electronic sensing applications was modelled. The applied simulation method reproduces correctly the output transfer GFET characteristics and allows to investigate doping effect caused by different physical, chemical or biological factors. The appearance of additional charge in the system results in the shift of the current-voltage characteristic. This feature could...
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Aryl and N-arylamide carbon nanotubes for electrical coupling of laccase to electrodes in biofuel cells and biobatteries
PublicationSingle walled carbon nanotubes (SWCNTs) were equipped with aryl residues by chemical reactions. These insoluble materials were used to substitute classical soluble mediators, which help to transfer electrical charge between the conducting electrode and the redox active center of enzyme molecules. The effect of different aryl residues on the efficiency of the catalytic reduction of dioxygen in the presence of laccase was systematically...
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Enhanced trap-assisted recombination in organic semiconductors
PublicationAn analytical model to describe the interaction of excitons and charge transfer states with deep traps is formulated for the case of molecular materials. Here, we have considered the influence of a trap-assisted recombination on this phenomenon. The final expression for the effective recombination rate has been derived from the Shockley–Read–Hall theory and kinetic equations which characterize different photophysical processes....
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Hopping or Tunneling? Tailoring the Electron Transport Mechanisms through Hydrogen Bonding Geometry in the Boron-Doped Diamond Molecular Junctions
PublicationMechanisms of charge transport in molecular junctions involving hydrogen bonds are complex and remain mostly unclear. This study is focused on the elucidation of the electron transfer in a molecular device consisting of two boron-doped diamond interfaces bound with an aromatic linker and a hydrogen bonding surrogating molecule. The projected local density of states (PLODS) analysis coupled with transmission spectra and current−voltage...