Sökning: "water solvation"
Visar resultat 1 - 5 av 56 avhandlingar innehållade orden water solvation.
1. Cation Solvation in Water and Acetonitrile from Theoretical Calculations
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
2. Core Level Spectroscopy of Water and Ice
Sammanfattning : A core level spectroscopy study of ice and water is presented in this thesis. Combining a number of experiments and spectrum calculations based on density functional theory, changes in the local valence electronic structure are shown to be sensitive to the local H-bonding configurations. LÄS MER
3. Classical and Car-Parrinello Molecular Dynamics Simulations of Polyvalent Metal Ions in Water
Sammanfattning : The aqueous solvation of metal ions is one of the long-standing and complex problems in chemistry, with implications for and applications in a broad range of biochemical and electrochemical systems, where water is the all-pervasive medium.This thesis describes computer simulations of Al3+(aq), Fe2+(aq), Fe3+(aq) and Cu2+(aq). LÄS MER
4. Water and protein solutions studied by field-dependent magnetic relaxation
Sammanfattning : In the work presented, nuclear magnetic resonance (NMR) relaxation is used to study wide range of systems. The thesis concerns solvent interactions studied with relaxation techniques that involve measurements at many fields, which allows the separation of individual relaxation mechanisms. LÄS MER
5. Solvation properties of proteins in membranes
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