Sökning: "proton dynamics"

Visar resultat 16 - 20 av 97 avhandlingar innehållade orden proton dynamics.

  1. 16. Visualizing structural dynamics: from small molecules to membrane proteins

    Författare :Magnus Andersson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; membrane protein; bacteriorhodopsin; proteorhodopsin; halorhodopsin; structural dynamics; time-resolved X-ray scattering;

    Sammanfattning : To fully understand the mechanism of a chemical reaction, it is important to characterize the rapid structural dynamics of transient chemical species as the reaction propagates. Since chemical processes are heavily influenced by the solvent in which they occur, the interaction with the surrounding solution also needs to be elucidated. LÄS MER

  3. 17. Protons in In-doped BaZrO3: incorporation, distribution and local environments

    Författare :Laura Mazzei; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; hydrogen dynamics; hydrogen depth profiling; vibrational spectroscopy; neutron scattering; thin films; perovskites; Proton conductors;

    Sammanfattning : Acceptor doped proton conducting oxides are currently of large interest for their potential application as electrolyte materials in the future generation of solid oxide fuel cells. However, their proton conductivities are still lower than the target conductivity required for practical applications. LÄS MER

  4. 18. Probing Dynamics of Oligosaccharides by Interference Phenomena in NMR Relaxation

    Författare :Leila Ghalebani; Jozef Kowalewski; Norbert Mueller; Stockholms universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; NMR; sugars; oligosaccharides; carbon-13 relaxation; cross-correlated relaxation; molecular dynamics; internal motion; random jumps; PRE; paramagnetic relaxation; Chemistry; Kemi; fysikalisk kemi; Physical Chemistry;

    Sammanfattning : Oligosaccharides (carbohydrates) are a large class of biological molecules that are important as energy sources in the human body and have enormously varied biological functions. It is generally believed that biological activities of carbohydrates are related to their internal dynamics. LÄS MER

  5. 19. Gas-Phase Protein Structure Under the Computational Microscope : Hydration, Titration, and Temperature

    Författare :Erik Marklund; David van der Spoel; Albert Heck; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Molecular dynamics; gas phase; proteins; micelles; proton transfer; Grothuss mechanism; kinetics; Physics; Fysik; Physics with specialization in Biophysics; Fysik med inriktning mot biofysik;

    Sammanfattning : Although the native environment of the vast majority of proteins is a complex aqueous solution, like the interior of a cell, many analysis methods for assessing chemical and physical properties of biomolecules require the sample to be aerosolized; that is, transferred to the gas-phase. An important example is electrospray-ionization mass spectrometry, which can provide a wide range of information about e. LÄS MER

  7. 20. Water Relaxation Processes as Seen by NMR Spectroscopy Using MD and BD Simulations

    Författare :Ken Åman; Per-Olof Westlund; Arnold Maliniak; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physical chemistry; NMR; Stochastic Liouville Equation; Brownian Dynamics; Molecular Dynamics; Water; Relaxation; Deuterium; ESR; Fysikalisk kemi; Physical chemistry; Fysikalisk kemi; Physical Chemistry; fysikalisk kemi;

    Sammanfattning : This thesis describes water proton and deuterium relaxation processes, as seen by Nuclear Magnetic Resonance (NMR) spectroscopy, using Brownian Dynamics (BD) or Molecular Dynamics (MD) simulations. The MD simulations reveal new detailed information about the dynamics and order of water molecules outside of a lipid bilayer. LÄS MER