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Search results for: PROTON AFFINITY
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Drug affinity to human serum albumin prediction by retention of cetyltrimethylammonium bromide pseudostationary phase in micellar electrokinetic chromatography and chemically advanced template search descriptors
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Portugalia, Porto
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TU-D-BRB-09: Dosimetric Validation of the Proton-Sensitive BANG® 3 PRO-2 Polymer Gel Dosimeter Irradiated by Single Field Therapeutic Proton Beams
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Two-photon microperimetry with picosecond pulses
PublicationTwo-photon vision is a phenomenon associated with the perception of short pulsesof near-infrared radiation (900-1200 nm) as a visible light. It is caused by the nonlinear processof two-photon absorption by visual pigments. Here we present results showing the influence ofpulse duration and repetition rate of short pulsed lasers on the visual threshold. We comparedtwo-photon sensitivity maps of the retina obtained for subjects with...
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Covariance approach to the free photon field
PublicationWprowadziliśmy teorię fotonu poprzez tą samą zasadę, co dla pojedynczej czą-stki w kwantowej mechanice używając C*-algebraicznego podejścia kowariantychukładów.
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Hydratacja protonu w roztworze wodnym
PublicationZjawiska związane z hydratacją protonu w roztworze wodnym wciąż są słabo poznane a ich badanie stanowi przedmiot dociekań naukowych od kilkudziesięciu lat. W artykule omówiono obecny stan badań tego pozornie prostego układu, zwracając szczególną uwagę na najpopularniejsze techniki badawcze: chemię obliczeniową, spektroskopię oscylacyjną i techniki dyfrakcyjne. Najnowsze doniesienia naukowe z przeciągu ostatnich kilku lat omówiono...
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Antimony substituted lanthanum orthoniobate proton conductor – structure and electronic properties.
PublicationX‐ray and neutron diffraction have been utilized to analyze the crystalline and electronic structure of lanthanum orthoniobate substituted by antimony. Using X‐ray absorption spectroscopy and photoelectron spectroscopy, changes in the electronic structure of the material upon substitution have been analyzed. The structural transition temperature between fergusonite and scheelite phases for 30 mol% antimony substitution was found...
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Driving proton transfer reactions in the 2-methylfuran ring with external forces
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O-256 Evaluation of the fertility potential of semen using Proton NMR
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ADVANCES IN PROTEIN CHEMISTRY
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JOURNAL OF PROTEIN CHEMISTRY
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Sociologija i Prostor
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How to Design Affect-aware Educational Systems – the AFFINT Process Approach
PublicationComputer systems, that support learning processes, can adapt to the needs and states of a learner. The adaptation might directly address the knowledge deficits and most tutoring systems apply an adaptable learning path of that kind. Apart from a preliminary knowledge state, there are more factors, that influence education effectiveness and among those there are fluctuating emotional states. The tutoring systems may recognize or...
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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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Studies of the complex formation between some proton sponges and Cu(II) cations
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Performance and Stability in H2S of SrFe0.75Mo0.25O3-δ as Electrode in Proton Ceramic Fuel Cells
PublicationThe H2S-tolerance of SrFe0.75Mo0.25O3-δ (SFM) electrodes has been investigated in symmetric proton ceramic fuel cells (PCFC) with BaZr0.8Ce0.1Y0.1O3-δ (BZCY81) electrolyte. The ionic conductivity of the electrolyte under wet reducing conditions was found to be insignificantly affected in the presence of up to 5000 ppm H2S. The fuel cell exhibited an OCV of about 0.9 V at 700 °C, which dropped to about 0.6 V and 0.4 V upon exposure...
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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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Two-photon perimetry utilizing picosecond laser
PublicationAge-related impairments are becoming more and more severe for aging societies. The sensory organ diseases are particularly troublesome as they exclude seniors from their everyday activity. Therefore, maintaining good quality eyesight is essential for normal functioning. New medical therapies help restrain age-related changes, but still, monitoring is essential to the treatment process. Humans do not have the natural ability to...
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UNRES-Dock—protein–protein and peptide–protein docking by coarse-grained replica-exchange MD simulations
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Study of New Oxytocin Antagonist Barusiban (Fe200 440) Affinity Toward Human Oxytocin Receptor Versus Vasopressin V1a and V2 Receptors - Molecular Dynamics Simulation in POPC Bilayer
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Proton transfer reactions from NH acid to various N-bases in acetonitrile
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Enhanced acceptor concentration, proton conductivity, and hydration in multicomponent rare‐earth ortho‐niobates
PublicationThe structural properties of (La0.2Nd0.2Sm0.2Gd0.2Eu0.2)1−xCaxNbO4−δ (x = 0–0.05) series have been studied by X-ray powder diffraction at room temperature. The thermal properties were investigated using thermogravimetry, from which the concentration of proton defects was determined. Additionally, dilatometry studies were carried out, from which the thermal expansion coefficients and the phase transition temperature between low-...
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Ab initio and density functional theory calculations of proton affinities for volatile organic compounds
PublicationThe Hatree-Fock method with 6-311G** split-valence molecular orbitals basis sets and the density function theory-B3LYP have been applied to geometrical optimizations and calculations of total electronic, zero point vibrational energies and proton affinities at 298 K for volatile organic compounds. Calculated values of proton affinities are compared with experimental data.
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Performance of a single layer fuel cell based on a mixed proton-electron conducting composite
PublicationMany of the challenges in solid oxide fuel cell technology stem from chemical and mechanical incompatibilities between the anode, cathode and electrolyte materials. Numerous attempts have been made to identify compatible materials. Here, these challenges are circumvented by the introduction of a working single layer fuel cell, fabricated from a composite of proton conducting BaCe0.6Zr0.2Y0.2O3-δ and a mixture of semiconducting...
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Influence of proton irradiation on the magnetic properties of two-dimensional Ni(II) molecular magnet
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Method for universal detection of two-photon polarization entanglement
PublicationDetecting and quantifying quantum entanglement of a given unknown state poses problems that are fundamentally important for quantum information processing. Surprisingly, no direct (i.e., without quantum tomography) universal experimental implementation of a necessary and sufficient test of entanglement has been designed even for a general two-qubit state. Here we propose an experimental method for detecting a collective universal...
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TH-D-BRB-06: Assessment of Proton Beam In-Vivo Dose Verification by Directly Comparing Doses Measured in Tissue-Equivalent Polymer Gels to Proton-Activated Positron-Emission Distributions in the Gels Post Irradiation
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ATR FT-IR H2O spectra of acidic aqueous solutions. Insights about proton hydration
PublicationW artykule podjęto próbę ilościowej analizy widm oscylacyjnych H2O w wodnych roztworach kwasów. Widma H2O dostarczają głównie informacji o stanie strukturalnym cząsteczek wody, wynikającym ze sprzężeń oscylatorów w układzie. Są jednak znacznie trudniejsze w interpretacji niż widma HDO. Widma wodnych roztworów kwasów jednoprotonowych (HCl, HClO4, HPF6) zmierzono posługując się spektroskopią FT-IR w technice osłabionego wewnętrznego...
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Rotation Triggers Nucleotide-Independent Conformational Transition of the Empty β Subunit of F1-ATPase
PublicationF1-ATPase (F1) is the catalytic portion of ATP synthase, a rotary motor protein that couples proton gradients to ATP synthesis. Driven by a proton flux, the F1 asymmetric γ subunit undergoes a stepwise rotation inside the α3β3 headpiece and causes the β subunits’ binding sites to cycle between states of different affinity for nucleotides. These concerted transitions drive the synthesis of ATP from ADP and phosphate. Here, we study...
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The Protein Folding Problem
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PROTEIN AND PEPTIDE LETTERS
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Porto Biomedical Journal
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MOVIMENTO-PORTO ALEG
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Proton-Electron Hole Interactions in Sr(Ti,Fe)O3−δ Mixed-Conducting Perovskites
PublicationOxides in which total electrical conductivity is determined by the partial conductivities of three types of charge carriers i.e. holes/ electrons, oxygen ions, and protons are key components of well-functioning proton ceramic fuel cells. Apart from electrochemical properties also easily modified microstructure is an important feature of the electrodes. In the paper, a group of SrTi1−xFexO3−δ (STF, x = 0.2–0.8) perovskites prepared...
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FTIR and NMR studies of bis(oxaalkyl) sulphates(IV) and their complexes with proton and some metal cations
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Proton transfer reactions from some diarylcyanomethanes to cis 1,2-bis(diethylaminomethyl)cyclohexane in acetonitrile
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Synthesis and Testing of BCZY/LNZ Mixed Proton–electron Conducting Composites for Fuel Cell Applications
PublicationA composite of BaCe0.6Zr0.2Y0.2O3–δ and Li2O:NiO:ZnO was investigated for fuel cell applications. The composite was successfully synthesized and its phase stability was confirmed at temperatures up to 900 °C. The influence of sintering and pressing aids on density was also investigated. Electrical properties were measured. DC electrical conductivity was about 8•10-4 S/m at 845 K. Open circuit voltage measurements in wet hydrogen...
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CURRENT PROTEIN & PEPTIDE SCIENCE
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Journal of Prison Education and Reentry
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Current Protocols in Protein Science
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PHYTON-ANNALES REI BOTANICAE
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Influence of Osmolytes on Protein and Water Structure: A Step To Understanding the Mechanism of Protein Stabilization
PublicationResults concerning the thermostability of hen egg white lysozyme in aqueous solutions with stabilizing osmolytes, trimethylamine-N-oxide (TMAO), glycine (Gly), and its N-methyl derivatives, N-methylglycine (NMG), N,N-dimethylglycine (DMG), and N,N,N-trimethylglycine (betaine, TMG), have been presented. The combination of spectroscopic (IR) and calorimetric (DSC) data allowed us to establish a link between osmolytes’ influence on...
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Influence of phonon-phonon coupling on superconducting state in honeycomb-type crystal lattice
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GEM-based gaseous photomultipliers for UV and visible photon imaging
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Towards spectral sensitivity curve for two-photon vision mechanism
PublicationAbstract Purpose: The perceived brightness of different visible light sources can be compared with photometric units based on the standardized luminosity curves (300-780nm range). As reported previously (PNAS 111(50), pp. E5445-E5454 (2014)), near-infrared (NIR) radiation can cause isomerization of visual pigments by one- or two-photon absorption. The perceived color of the stimulus is red in the case of one-photon vision (1PV)...
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Hydratacja protonu i jonu hydroksylowego w roztworach wodnych
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Direct Response to Proton Beam Linear Energy Transfer (LET) in a Novel Polymer Gel Dosimeter Formulation
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Proton transfer reaction from some C–H acids to N-bases in polar aprotic solvents
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Structure and electrical properties of ceramic proton conductors obtained with molten-salt and solid-state synthesis methods
PublicationPublikacja omawia wyniki badań niobanu lantanu domieszkowanego akceptorowo pod kątem właściwości elektrycznych i strukturalnych.
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Crystal Structure, Hydration, and Two-Fold/Single-Fold Diffusion Kinetics in Proton-Conducting Ba0.9La0.1Zr0.25Sn0.25In0.5O3−a Oxide
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