Sökning: "solvation"

Visar resultat 1 - 5 av 106 avhandlingar innehållade ordet solvation.

  1. 1. Solvation properties of proteins in membranes

    Författare :Anna CV Johansson; Erik Lindahl; Mounir Tarek; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; membrane protein; lipid bilayer; free energy; solvation; insertion; molecular dynamics simulations; protein mass fraction; Theoretical chemistry; Teoretisk kemi; Biochemistry; biokemi;

    Sammanfattning : Knowledge about the insertion and stabilization of membrane proteins is a key step towards understanding their function and enabling membrane protein design. Transmembrane helices are normally quite hydrophobic to insert efficiently, but there are many exceptions with unfavorable polar or titratable residues. LÄS MER

  3. 2. On the Thermodynamic Solvation of Biomolecules in Solution

    Författare :Stefan Hervö Hansen; Teoretisk kemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Solubility; Solvation; Aggregation; Statistical thermodynamics; Molecular dynamics; Monte Carlo simulations; Free energy calculations; Energy-representation theory of solvation; Proteins; Salt bridges; Caffeine;

    Sammanfattning : The topic solvation thermodynamics is an important aspect of chemistry, dealing with the effects introduced by solvents onto solutes. In particular, biological systems are highly heterogeneous in their choice of solvent typically characterized by either being in a polar or non-polar environment. LÄS MER

  4. 3. Cation Solvation in Water and Acetonitrile from Theoretical Calculations

    Författare :Daniel Spångberg; Kersti Hermansson; Philippe Bopp; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Inorganic chemistry; molecular dynamics; ab initio; lithium; sodium; magnesium; aluminum; metal ion; water; acetonitrile; solution; solvation; Oorganisk kemi; Inorganic chemistry; Oorganisk kemi;

    Sammanfattning : Metal ions solvated in aqueous, non-aqueous, and mixtures of solvents occur in many chemical contexts, for example in electrochemical applications and solvent separation. Solvated ions appear in high concentration in the living organisms, where their presence or absence can fundamentally alter the functions of life. LÄS MER

  5. 4. Mechanisms of Biopolymer Solvation: Development of a two-component ionic liquid solvent system

    Författare :Susanne Bylin; Chalmers University of Technology; []
    Nyckelord :ionic liquids; solvation; mechanism; xylan; lignin; cellulose; wood components;

    Sammanfattning : Ionic liquids are of potential interest in the processing of lignocellulosic biomass, and/or its components, for the purpose of producing renewable and value-added biomaterials. An understanding of how solvation can be achieved and the way in which the feedstock biopolymers are affected, however, needs to be gained prior to a viable implementation. LÄS MER

  7. 5. Development and Application of a First Principle Molecular Model for Solvent Effects

    Författare :Anders Öhrn; Teoretisk kemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Theoretical chemistry; quantum chemistry; Teoretisk kemi; kvantkemi; magnetisk resonans; Fysikalisk kemi; Physical chemistry; gränsskikt; Ytkemi; Surface and boundary layery chemistry; spektroskopi; egenskaper elektriska; magnetiska och optiska ; supraledare; Kondenserade materiens egenskaper:elektronstruktur; spectroscopy; relaxation; magnetic resonance; supraconductors; magnetic and optical properties; Kemi; Condensed matter:electronic structure; electrical; Solvent model; Solvochromatic shift; Chemistry; Solvent effects; Solvation; Intermolecular interactions; Quantum chemistry; Statistical mechanics;

    Sammanfattning : A considerable part of chemistry in nature and industry, takes place in an environment of other molecules. Reactions, transitions, interactions or other chemical processes are almost always modified by the environment. LÄS MER