Sökning: "Poisson-Boltzmann"

Visar resultat 1 - 5 av 22 avhandlingar innehållade ordet Poisson-Boltzmann.

  1. 1. Electrostatic Interactions in Complex Liquids : A Thermodynamic Analysis Based on the Poisson-Boltzmann Equation and the Flexible Surface Model

    Författare :Ingemar Carlsson; Fysikalisk kemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; AOT; AerosolOT; ionic surfactant; spontaneous curvature; bending modulus; bending energy; Helfrich curvature energy; fluid membrane; complex liquid; flexible surface model; micelle; counterion; Poisson-Boltzmann equation; cell model; L3 phase; sponge phas; Physical chemistry; Fysikalisk kemi;

    Sammanfattning : The aim of this study was to analyse physico-chemical properties of some complex liquids using the Poisson-Boltzmann (PB) cell model; to extend the theory to cover bilayer systems with complex global geometry; finally to apply this new extended model to such bilayer systems. The PB cell model provides a practical tool to examine counterion association and phase behaviour for structures of simple geometries; cylindrical and spherical. LÄS MER

  3. 2. Diffusion studies in gels using holographic laser interferometry

    Författare :Charlotte Mattisson; Avdelningen för kemiteknik; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; chemical potential; ionic strenght; pH; cubic phase; partition coefficient; holographic laser interferometry; holography; pullulan; lysozyme; BSA; macromolecules; diffusion; gel; Poisson-Boltzmann; Chemical technology and engineering; Kemiteknik och kemisk teknologi;

    Sammanfattning : This thesis is an investigation of the potential of holographic laser interferometry for the study of diffusion of both small solutes and macromolecules. An investigation on the importance of errors due to light deflection in refarctive index gradients showed that the magnitude of the refractive index gradients were negligible for the system investigated. LÄS MER

  4. 3. A multivariate approach to characterization of drug-like molecules, proteins and the interactions between them

    Författare :Anton Lindström; Anna Linusson; Fredrik Almqvist; Anders Karlén; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; binding affinity; prediction; CAMD; principal component analysis PCA ; partial least squares projections to latent structures PLS ; MM-GB-SA; MM-PB-SA; docking; geometry optimization; protein secondary structure characterization; implicit solvent; generalized-Born; Poisson-Boltzmann; molecular mechanics MM ; drug discovery; bindningsaffinitet; prediktion; dockning; geometrioptimering; sekundärstruktur; matematisk vattenmodel; generalized-Born; Poisson-Boltzmann; molekylmekanik MM ; läkemedelsdesign; principal komponent analys PCA ; partial least squares projections to latent structures PLS ; MM-GB-SA; MM-PB-SA; Other chemistry; Övrig kemi;

    Sammanfattning : En sjukdom kan många gånger härledas till en kaskadereaktion mellan proteiner, co-faktorer och substrat. Denna kaskadreaktion blir många gånger målet för att behandla sjukdomen med läkemedel. För att designa nya läkemedelsmoleyler används vanligen datorbaserade verktyg. LÄS MER

  5. 4. Challenges in Computational Biochemistry: Solvation and Ligand Binding

    Författare :Jens Carlsson; Johan Åqvist; Chris Reynolds; Uppsala universitet; []
    Nyckelord :Molecular biology; computer simulations; molecular dynamics; solvation free energy; Generalized-Born; Poisson-Boltzmann; ligand binding; binding free energy; linear interaction energy; binding entropy; hydration entropy; Molekylärbiologi;

    Sammanfattning : Accurate calculations of free energies for molecular association and solvation are important for the understanding of biochemical processes, and are useful in many pharmaceutical applications. In this thesis, molecular dynamics (MD) simulations are used to calculate thermodynamic properties for solvation and ligand binding. LÄS MER

  7. 5. Some aspects on the physical chemistry of kraft lignins in aqueous solutions : Theoretical considerations and practical implications

    Författare :Magnus Norgren; Mittuniversitetet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; kraft pulping; kraft lignin; phenolic groups; dissociation; pKa; molecular weight; temperature; ionic strength; pOH; polydispersity; coagulation; Poisson-Boltzmann; DLVO; Chemistry; Kemi;

    Sammanfattning : .... LÄS MER