Search for dissertations about: "Solvent model"

Showing result 1 - 5 of 180 swedish dissertations containing the words Solvent model.

  2. 1. Development and Application of a First Principle Molecular Model for Solvent Effects

    Author : Anders Öhrn; Teoretisk kemi; []
    Keywords : 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;

    Abstract : 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. READ MORE

  4. 2. Foreign molecules in biomembranes : Molecular effects on intact stratum corneum and model lipid systems

    Author : Quoc Dat Pham; Fysikalisk kemi; []
    Keywords : stratum corneum; lipid; keratin filament; protein; DMPC; penetration enhancer; osmolyte; solvent; monoterpene; fatty acid; hydration; molecular mobility; fluidity; permeability; PT ssNMR; diffusion cell;

    Abstract : This thesis mainly explores how the molecular mobility of lipid and protein components in the outermost layer of the skin, the stratum corneum (SC), varies with different conditions and upon adding foreign compounds. These studies require methods that makes it possible to detect and characterize the minor amount of fluid components in the highly ordered solid SC sample with resolved molecular information. READ MORE

  5. 3. Diluent and Solvent Effects in Liquid-Liquid Extraction Systems based on bis-triazine-bipyrididine (BTBP)-class Ligands

    Author : Elin Löfström Engdahl; Chalmers University of Technology; []
    Keywords : NATURVETENSKAP; TEKNIK OCH TEKNOLOGIER; NATURAL SCIENCES; ENGINEERING AND TECHNOLOGY; Used nuclear fuel; Density; Solvent; Extraction vs. time; BTBP; GANEX; Liquid-Liquid Extraction; Interfacial tension; Diluent;

    Abstract : Used nuclear fuel taken directly from a reactor is radiotoxic for mankind and its environment for a long time. One of the major contributions to the long time radiotoxicity is the presence of a group of elements called the actinides. READ MORE

  6. 4. Interfacial Properties of Biomacromolecular Model Systems: Surface Forces and Nanotribology

    Author : Niklas Nordgren; Mark Rutland; Harry Brumer III; Robert Pelton; KTH; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; afm; surface force; friction; composite material; model surface; quartz crystal microbalance; dissipation; cellulose; xyloglucan; chitosan; colloidal probe; nanotribology; biomimetic; enzymatic; polysaccharide; graft; fiber; thiol; spring constant; calibration; lubrication; polyion; responsive.; Surface and colloid chemistry; Yt- och kolloidkemi;

    Abstract : The nanotribology, adhesion and related interfacial properties of biomacromolecular systems have been studied.  The aim was to elucidate the role of physisorbed and chemically grafted bio-polymers implicated as mediators for cellulose based processing and material design. READ MORE

  7. 5. Exploring amino-acid radicals and quinone redox chemistry in model proteins

    Author : Kristina Westerlund; Cecilia Tommos; Astrid Gräslund; Sara Linse; Stockholms universitet; []
    Keywords : MEDICAL AND HEALTH SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; amino-acid radicals; quinone redox chemistry; model proteins; protein redesign; electrochemistry; Biochemistry; Biokemi; biokemi; Biochemistry;

    Abstract : Amino-acid radical enzymes have been studied extensively for 30 years but the experimental barriers to determine the thermodynamic properties of their key radical cofactors are so challenging that only a handful of reports exist in the literature. This is a major drawback when trying to understand the long-range radical transfer and/or catalytic mechanisms of this important family of enzymes. READ MORE